data_5577 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sodium/potassium-transporting ATPase alpha-1 chain ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Siegal G. . . 3 Vuister G. W. . 4 Guentert P. . . 5 Gloor S. M. . 6 Abrahams J. P. . stop_ _BMRB_accession_number 5577 _BMRB_flat_file_name bmr5577.str _Entry_type new _Submission_date 2002-11-06 _Accession_date 2002-11-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 1087 '15N chemical shifts' 187 '13C chemical shifts' 659 stop_ loop_ _Related_BMRB_accession_number _Relationship 5576 "ATPase alpha-1 complex form with ATP" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; ATP-induced Conformational Changes of the Nucleotide-binding Domain of Na, K-ATPase ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 12730684 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Siegal G. . . 3 Vuister G. W. . 4 Guntert P. . . 5 Gloor S. M. . 6 Abrahams J. P. . stop_ _Journal_abbreviation "Nat. Struct. Biol." _Journal_volume 10 _Journal_issue 6 _Page_first 468 _Page_last 474 _Year 2003 loop_ _Keyword "six-stranded" "twisted beta sheet" stop_ save_ ################################## # Molecular system description # ################################## save_system_ATPase_alpha_1 _Saveframe_category molecular_system _Mol_system_name "sodium/potassium-transporting ATPase alpha-1 chain (E.C.3.6.3.9)" _Abbreviation_common "ATPase alpha-1" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "Sodium/Potassium-Transporting ATPase alpha-1" $ATPase stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1MO7 ? . stop_ save_ ######################## # Monomeric polymers # ######################## save_ATPase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "SODIUM/POTASSIUM-TRANSPORTING ATPASE ALPHA-1" _Name_variant "SODIUM PUMP, NA+/K+ ATPASE 1" _Abbreviation_common ATPase _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 213 _Mol_residue_sequence ; QNPMTVAHMWFDNQIHEADT TENQSGVSFDKTSATWFALS RIAGLCNRAVFQANQENLPI LKRAVAGDASESALLKCIEV CCGSVMEMREKYTKIVEIPF NSTNKYQLSIHKNPNASEPK HLLVMKGAPERILDRCSSIL LHGKEQPLDEELKDAFQNAY LELGGLGERVLGFCHLLLPD EQFPEGFQFDTDEVNFPVDN LCFVGLISMIDPP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 383 GLN 2 384 ASN 3 385 PRO 4 386 MET 5 387 THR 6 388 VAL 7 389 ALA 8 390 HIS 9 391 MET 10 392 TRP 11 393 PHE 12 394 ASP 13 395 ASN 14 396 GLN 15 397 ILE 16 398 HIS 17 399 GLU 18 400 ALA 19 401 ASP 20 402 THR 21 403 THR 22 404 GLU 23 405 ASN 24 406 GLN 25 407 SER 26 408 GLY 27 409 VAL 28 410 SER 29 411 PHE 30 412 ASP 31 413 LYS 32 414 THR 33 415 SER 34 416 ALA 35 417 THR 36 418 TRP 37 419 PHE 38 420 ALA 39 421 LEU 40 422 SER 41 423 ARG 42 424 ILE 43 425 ALA 44 426 GLY 45 427 LEU 46 428 CYS 47 429 ASN 48 430 ARG 49 431 ALA 50 432 VAL 51 433 PHE 52 434 GLN 53 435 ALA 54 436 ASN 55 437 GLN 56 438 GLU 57 439 ASN 58 440 LEU 59 441 PRO 60 442 ILE 61 443 LEU 62 444 LYS 63 445 ARG 64 446 ALA 65 447 VAL 66 448 ALA 67 449 GLY 68 450 ASP 69 451 ALA 70 452 SER 71 453 GLU 72 454 SER 73 455 ALA 74 456 LEU 75 457 LEU 76 458 LYS 77 459 CYS 78 460 ILE 79 461 GLU 80 462 VAL 81 463 CYS 82 464 CYS 83 465 GLY 84 466 SER 85 467 VAL 86 468 MET 87 469 GLU 88 470 MET 89 471 ARG 90 472 GLU 91 473 LYS 92 474 TYR 93 475 THR 94 476 LYS 95 477 ILE 96 478 VAL 97 479 GLU 98 480 ILE 99 481 PRO 100 482 PHE 101 483 ASN 102 484 SER 103 485 THR 104 486 ASN 105 487 LYS 106 488 TYR 107 489 GLN 108 490 LEU 109 491 SER 110 492 ILE 111 493 HIS 112 494 LYS 113 495 ASN 114 496 PRO 115 497 ASN 116 498 ALA 117 499 SER 118 500 GLU 119 501 PRO 120 502 LYS 121 503 HIS 122 504 LEU 123 505 LEU 124 506 VAL 125 507 MET 126 508 LYS 127 509 GLY 128 510 ALA 129 511 PRO 130 512 GLU 131 513 ARG 132 514 ILE 133 515 LEU 134 516 ASP 135 517 ARG 136 518 CYS 137 519 SER 138 520 SER 139 521 ILE 140 522 LEU 141 523 LEU 142 524 HIS 143 525 GLY 144 526 LYS 145 527 GLU 146 528 GLN 147 529 PRO 148 530 LEU 149 531 ASP 150 532 GLU 151 533 GLU 152 534 LEU 153 535 LYS 154 536 ASP 155 537 ALA 156 538 PHE 157 539 GLN 158 540 ASN 159 541 ALA 160 542 TYR 161 543 LEU 162 544 GLU 163 545 LEU 164 546 GLY 165 547 GLY 166 548 LEU 167 549 GLY 168 550 GLU 169 551 ARG 170 552 VAL 171 553 LEU 172 554 GLY 173 555 PHE 174 556 CYS 175 557 HIS 176 558 LEU 177 559 LEU 178 560 LEU 179 561 PRO 180 562 ASP 181 563 GLU 182 564 GLN 183 565 PHE 184 566 PRO 185 567 GLU 186 568 GLY 187 569 PHE 188 570 GLN 189 571 PHE 190 572 ASP 191 573 THR 192 574 ASP 193 575 GLU 194 576 VAL 195 577 ASN 196 578 PHE 197 579 PRO 198 580 VAL 199 581 ASP 200 582 ASN 201 583 LEU 202 584 CYS 203 585 PHE 204 586 VAL 205 587 GLY 206 588 LEU 207 589 ILE 208 590 SER 209 591 MET 210 592 ILE 211 593 ASP 212 594 PRO 213 595 PRO stop_ _Sequence_homology_query_date 2003-10-30 _Sequence_homology_query_revised_last_date 2003-10-03 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1MO7 "A Chain A, Atpase" 100.00 213 100 100 10e-123 PDB 1MO8 "A Chain A, Atpase" 100.00 213 100 100 10e-123 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ATPase Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ATPase 'recombinant technology' "E. coli" Escherichia coli BL21 plasmid pET23b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATPase 2 mM "[U-13C; U-15N]" Tris-HCl 20 mM . NaN3 0.02 % . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Task processing stop_ _Details "Delaglio, F. et al." save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.11 loop_ _Task "data analysis" stop_ _Details "Bartels, C. et al." save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.5 loop_ _Task "structure solution" stop_ _Details "http://www.guentert.com" save_ save_OPALp _Saveframe_category software _Name OPALp _Version 1.0 loop_ _Task refinement stop_ _Details "Koradi, R., Billeter, M., Guentert, P." save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 3D 13C-separated NOESY 3D 15N-separated NOESY ; save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.6 . n/a temperature 296 . K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio . H 1 . ppm . . . . . . . . N 15 . ppm . . . . . . . . C 13 . ppm . . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "Sodium/Potassium-Transporting ATPase alpha-1" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 ASN CA C 51.450 0.000 . 2 2 ASN HA H 4.956 0.000 . 3 2 ASN CB C 38.437 0.000 . 4 2 ASN HB2 H 2.671 0.000 . 5 2 ASN HB3 H 2.794 0.000 . 6 3 PRO CD C 50.479 0.000 . 7 3 PRO CA C 63.103 0.000 . 8 3 PRO HA H 4.438 0.000 . 9 3 PRO CB C 32.232 0.000 . 10 3 PRO HB2 H 1.947 0.000 . 11 3 PRO HB3 H 2.247 0.000 . 12 3 PRO CG C 27.372 0.000 . 13 3 PRO HG2 H 1.905 0.000 . 14 3 PRO HG3 H 2.034 0.000 . 15 3 PRO HD2 H 3.702 0.000 . 16 3 PRO HD3 H 3.798 0.000 . 17 4 MET N N 119.759 0.000 . 18 4 MET H H 8.270 0.005 . 19 4 MET HA H 4.816 0.001 . 20 4 MET CB C 36.301 0.000 . 21 4 MET HB2 H 1.779 0.005 . 22 4 MET HB3 H 1.916 0.003 . 23 4 MET CG C 32.805 0.000 . 24 4 MET HG2 H 2.524 0.004 . 25 4 MET HE H 1.969 0.000 . 26 4 MET CE C 17.655 0.000 . 27 5 THR N N 114.747 0.000 . 28 5 THR H H 7.968 0.002 . 29 5 THR CA C 60.772 0.000 . 30 5 THR HA H 4.702 0.004 . 31 5 THR CB C 72.133 0.000 . 32 5 THR HB H 3.876 0.005 . 33 5 THR HG2 H 1.214 0.000 . 34 5 THR CG2 C 21.437 0.000 . 35 6 VAL N N 127.663 0.000 . 36 6 VAL H H 8.959 0.012 . 37 6 VAL CA C 65.325 0.000 . 38 6 VAL HA H 3.932 0.000 . 39 6 VAL CB C 31.454 0.000 . 40 6 VAL HB H 1.975 0.005 . 41 6 VAL HG1 H 0.976 0.002 . 42 6 VAL HG2 H 0.906 0.001 . 43 6 VAL CG1 C 22.123 0.000 . 44 6 VAL CG2 C 23.285 0.008 . 45 7 ALA N N 130.651 0.000 . 46 7 ALA H H 9.031 0.006 . 47 7 ALA CA C 53.082 0.000 . 48 7 ALA HA H 4.594 0.000 . 49 7 ALA HB H 1.345 0.002 . 50 7 ALA CB C 22.936 0.000 . 51 8 HIS N N 115.036 0.000 . 52 8 HIS H H 7.880 0.004 . 53 8 HIS CA C 56.111 0.000 . 54 8 HIS HA H 5.642 0.005 . 55 8 HIS CB C 34.599 0.000 . 56 8 HIS HB2 H 3.182 0.006 . 57 8 HIS HB3 H 3.392 0.007 . 58 9 MET N N 115.881 0.000 . 59 9 MET H H 8.881 0.003 . 60 9 MET CA C 54.738 0.000 . 61 9 MET HA H 5.506 0.001 . 62 9 MET CB C 37.854 0.000 . 63 9 MET HB2 H 1.981 0.000 . 64 9 MET CG C 34.605 0.000 . 65 9 MET HG2 H 2.604 0.001 . 66 9 MET HG3 H 2.725 0.000 . 67 9 MET HE H 1.608 0.000 . 68 9 MET CE C 19.986 0.000 . 69 10 TRP N N 123.671 0.000 . 70 10 TRP H H 9.560 0.000 . 71 10 TRP CA C 57.276 0.000 . 72 10 TRP HA H 5.826 0.005 . 73 10 TRP CB C 32.028 0.000 . 74 10 TRP HB2 H 2.779 0.003 . 75 10 TRP HB3 H 3.454 0.003 . 76 10 TRP CD1 C 129.574 0.000 . 77 10 TRP CE3 C 120.019 0.000 . 78 10 TRP NE1 N 133.060 0.000 . 79 10 TRP HD1 H 6.915 0.000 . 80 10 TRP HE3 H 7.734 0.001 . 81 10 TRP CZ3 C 120.019 0.000 . 82 10 TRP CZ2 C 115.358 0.000 . 83 10 TRP HE1 H 10.680 0.002 . 84 10 TRP HZ3 H 7.188 0.001 . 85 10 TRP CH2 C 122.116 0.000 . 86 10 TRP HZ2 H 7.562 0.000 . 87 10 TRP HH2 H 6.989 0.000 . 88 11 PHE N N 119.567 0.000 . 89 11 PHE H H 7.921 0.001 . 90 11 PHE CA C 57.082 0.000 . 91 11 PHE HA H 4.525 0.005 . 92 11 PHE CB C 38.631 0.000 . 93 11 PHE HB2 H 3.085 0.000 . 94 11 PHE HB3 H 3.443 0.001 . 95 11 PHE HD1 H 6.660 0.000 . 96 11 PHE CD1 C 131.904 0.000 . 97 12 ASP N N 119.856 0.000 . 98 12 ASP H H 9.114 0.000 . 99 12 ASP CA C 56.951 0.000 . 100 12 ASP HA H 4.095 0.003 . 101 12 ASP CB C 38.440 0.000 . 102 12 ASP HB2 H 2.674 0.000 . 103 13 ASN N N 113.302 0.000 . 104 13 ASN H H 8.847 0.009 . 105 13 ASN CA C 52.421 0.000 . 106 13 ASN HA H 3.791 0.000 . 107 13 ASN CB C 37.660 0.000 . 108 13 ASN HB2 H 1.973 0.007 . 109 13 ASN HB3 H 3.365 0.000 . 110 13 ASN ND2 N 107.712 0.000 . 111 13 ASN HD21 H 6.574 0.002 . 112 13 ASN HD22 H 7.401 0.007 . 113 14 GLN N N 116.153 0.000 . 114 14 GLN H H 6.531 0.004 . 115 14 GLN CA C 54.978 0.000 . 116 14 GLN HA H 4.456 0.001 . 117 14 GLN CB C 32.610 0.000 . 118 14 GLN HB2 H 1.459 0.005 . 119 14 GLN HB3 H 1.609 0.000 . 120 14 GLN CG C 32.999 0.000 . 121 14 GLN HG2 H 1.757 0.000 . 122 14 GLN HG3 H 1.874 0.000 . 123 15 ILE N N 123.133 0.000 . 124 15 ILE H H 8.406 0.000 . 125 15 ILE HA H 4.843 0.000 . 126 15 ILE CB C 37.466 0.000 . 127 15 ILE HB H 1.862 0.000 . 128 15 ILE HG2 H 0.883 0.002 . 129 15 ILE CG2 C 17.850 0.000 . 130 15 ILE CG1 C 29.137 0.000 . 131 15 ILE HG12 H 1.139 0.000 . 132 15 ILE HG13 H 1.941 0.001 . 133 15 ILE HD1 H 0.795 0.001 . 134 15 ILE CD1 C 12.023 0.000 . 135 16 HIS N N 128.819 0.000 . 136 16 HIS H H 9.425 0.000 . 137 16 HIS HA H 4.822 0.000 . 138 16 HIS CB C 34.358 0.000 . 139 16 HIS HB2 H 2.604 0.003 . 140 16 HIS HB3 H 3.008 0.001 . 141 17 GLU N N 123.229 0.000 . 142 17 GLU H H 9.029 0.002 . 143 17 GLU CA C 55.553 0.061 . 144 17 GLU HA H 4.537 0.000 . 145 17 GLU CB C 31.639 0.000 . 146 17 GLU HB2 H 1.992 0.000 . 147 17 GLU HB3 H 2.049 0.001 . 148 17 GLU CG C 36.689 0.000 . 149 17 GLU HG2 H 2.283 0.000 . 150 18 ALA N N 125.647 0.000 . 151 18 ALA H H 7.467 0.002 . 152 18 ALA CA C 51.644 0.000 . 153 18 ALA HA H 4.053 0.005 . 154 18 ALA HB H 1.036 0.003 . 155 18 ALA CB C 19.986 0.000 . 156 19 ASP N N 120.627 0.000 . 157 19 ASP H H 8.065 0.007 . 158 19 ASP CA C 53.669 0.000 . 159 19 ASP HA H 4.678 0.002 . 160 19 ASP CB C 40.962 0.000 . 161 19 ASP HB2 H 2.487 0.003 . 162 19 ASP HB3 H 2.746 0.003 . 163 20 THR N N 116.097 0.000 . 164 20 THR H H 8.455 0.000 . 165 20 THR CA C 61.227 0.000 . 166 20 THR HA H 4.367 0.000 . 167 20 THR CB C 68.929 0.000 . 168 20 THR HB H 4.506 0.000 . 169 20 THR HG2 H 1.172 0.000 . 170 20 THR CG2 C 21.734 0.000 . 171 21 THR N N 115.157 0.000 . 172 21 THR H H 8.224 0.000 . 173 21 THR CA C 62.520 0.000 . 174 21 THR HA H 4.293 0.002 . 175 21 THR CB C 70.483 0.000 . 176 21 THR HB H 4.319 0.001 . 177 21 THR HG2 H 1.260 0.007 . 178 21 THR CG2 C 22.048 0.000 . 179 26 GLY CA C 45.235 0.000 . 180 26 GLY HA2 H 3.773 0.000 . 181 26 GLY HA3 H 4.044 0.000 . 182 27 VAL N N 118.217 0.000 . 183 27 VAL H H 7.950 0.001 . 184 27 VAL CA C 61.549 0.000 . 185 27 VAL HA H 4.251 0.005 . 186 27 VAL CB C 33.193 0.000 . 187 27 VAL HB H 1.873 0.001 . 188 27 VAL HG1 H 0.804 0.004 . 189 27 VAL HG2 H 0.640 0.003 . 190 27 VAL CG1 C 21.540 0.000 . 191 27 VAL CG2 C 19.403 0.000 . 192 28 SER CA C 58.451 0.000 . 193 28 SER HA H 4.483 0.000 . 194 28 SER CB C 63.880 0.000 . 195 28 SER HB2 H 3.791 0.000 . 196 28 SER HB3 H 3.923 0.000 . 197 29 PHE N N 121.976 0.000 . 198 29 PHE H H 7.512 0.000 . 199 29 PHE CA C 56.160 0.000 . 200 29 PHE HA H 4.663 0.000 . 201 29 PHE CB C 40.191 0.000 . 202 29 PHE HB2 H 2.737 0.001 . 203 29 PHE HB3 H 2.986 0.000 . 204 29 PHE HD1 H 6.696 0.000 . 205 29 PHE HE1 H 6.075 0.000 . 206 29 PHE CD1 C 131.671 0.000 . 207 29 PHE CE1 C 130.273 0.000 . 208 29 PHE CZ C 129.108 0.000 . 209 29 PHE HZ H 5.603 0.002 . 210 31 LYS CA C 57.276 0.000 . 211 31 LYS HA H 4.137 0.000 . 212 31 LYS CB C 32.222 0.000 . 213 31 LYS HB2 H 1.755 0.000 . 214 31 LYS CG C 24.647 0.000 . 215 31 LYS HG2 H 1.298 0.000 . 216 32 THR N N 111.374 0.000 . 217 32 THR H H 8.502 0.001 . 218 32 THR CA C 62.666 0.000 . 219 32 THR HA H 4.428 0.000 . 220 32 THR CB C 69.512 0.000 . 221 32 THR HB H 4.440 0.000 . 222 32 THR HG2 H 1.249 0.000 . 223 32 THR CG2 C 21.734 0.000 . 224 33 SER N N 118.217 0.000 . 225 33 SER H H 7.471 0.000 . 226 33 SER CA C 58.442 0.000 . 227 33 SER HA H 4.431 0.003 . 228 33 SER CB C 63.880 0.000 . 229 33 SER HB2 H 3.758 0.000 . 230 33 SER HB3 H 3.966 0.003 . 231 34 ALA CA C 54.946 0.000 . 232 34 ALA HA H 4.247 0.000 . 233 34 ALA HB H 1.488 0.000 . 234 34 ALA CB C 18.844 0.000 . 235 35 THR N N 119.663 0.000 . 236 35 THR H H 9.169 0.000 . 237 35 THR CA C 65.603 0.000 . 238 35 THR HA H 3.821 0.006 . 239 35 THR CB C 67.078 0.000 . 240 35 THR HB H 4.059 0.005 . 241 35 THR HG2 H 1.146 0.004 . 242 35 THR CG2 C 25.618 0.000 . 243 36 TRP N N 122.265 0.000 . 244 36 TRP H H 7.582 0.000 . 245 36 TRP CA C 58.247 0.000 . 246 36 TRP HA H 3.751 0.003 . 247 36 TRP CB C 29.114 0.000 . 248 36 TRP HB2 H 2.816 0.004 . 249 36 TRP HB3 H 3.094 0.004 . 250 36 TRP CD1 C 127.243 0.000 . 251 36 TRP CE3 C 122.116 0.000 . 252 36 TRP NE1 N 127.084 0.000 . 253 36 TRP HD1 H 7.477 0.003 . 254 36 TRP HE3 H 6.641 0.005 . 255 36 TRP CZ3 C 120.485 0.000 . 256 36 TRP CZ2 C 114.193 0.000 . 257 36 TRP HE1 H 9.155 0.002 . 258 36 TRP HZ3 H 6.441 0.000 . 259 36 TRP CH2 C 123.049 0.000 . 260 36 TRP HZ2 H 7.075 0.003 . 261 36 TRP HH2 H 6.582 0.000 . 262 37 PHE N N 122.651 0.000 . 263 37 PHE H H 8.061 0.000 . 264 37 PHE CA C 61.743 0.000 . 265 37 PHE HA H 3.437 0.001 . 266 37 PHE CB C 37.524 0.000 . 267 37 PHE HB2 H 3.198 0.001 . 268 37 PHE HB3 H 3.257 0.001 . 269 37 PHE HD1 H 7.098 0.000 . 270 37 PHE HE1 H 7.229 0.001 . 271 37 PHE CD1 C 131.904 0.000 . 272 37 PHE CE1 C 131.438 0.000 . 273 37 PHE CZ C 128.642 0.000 . 274 37 PHE HZ H 6.866 0.000 . 275 38 ALA N N 119.952 0.000 . 276 38 ALA H H 7.063 0.007 . 277 38 ALA CA C 54.363 0.000 . 278 38 ALA HA H 3.691 0.001 . 279 38 ALA HB H 1.372 0.002 . 280 38 ALA CB C 18.627 0.000 . 281 39 LEU N N 121.741 0.000 . 282 39 LEU H H 8.254 0.001 . 283 39 LEU CA C 57.492 0.000 . 284 39 LEU HA H 3.478 0.003 . 285 39 LEU CB C 41.156 0.000 . 286 39 LEU HB2 H 0.827 0.005 . 287 39 LEU HB3 H 1.207 0.000 . 288 39 LEU HD1 H 0.293 0.003 . 289 39 LEU HD2 H 0.655 0.000 . 290 39 LEU CD1 C 22.759 0.000 . 291 39 LEU CD2 C 26.590 0.000 . 292 40 SER N N 114.362 0.000 . 293 40 SER H H 7.892 0.004 . 294 40 SER CA C 60.578 0.000 . 295 40 SER HA H 2.832 0.002 . 296 40 SER CB C 61.937 0.000 . 297 40 SER HB2 H 1.782 0.001 . 298 40 SER HB3 H 3.003 0.003 . 299 41 ARG N N 122.940 0.000 . 300 41 ARG H H 6.616 0.005 . 301 41 ARG CA C 58.830 0.000 . 302 41 ARG HA H 3.776 0.005 . 303 41 ARG CB C 30.280 0.000 . 304 41 ARG HB2 H 1.042 0.000 . 305 41 ARG HB3 H 1.554 0.001 . 306 41 ARG CD C 42.710 0.000 . 307 41 ARG HD2 H 2.016 0.000 . 308 41 ARG HD3 H 2.294 0.000 . 309 42 ILE N N 119.064 0.000 . 310 42 ILE H H 7.273 0.009 . 311 42 ILE CA C 66.492 0.000 . 312 42 ILE HA H 3.248 0.003 . 313 42 ILE CB C 38.631 0.000 . 314 42 ILE HB H 1.666 0.004 . 315 42 ILE HG2 H 1.300 0.001 . 316 42 ILE CG2 C 21.994 0.000 . 317 42 ILE CG1 C 28.532 0.000 . 318 42 ILE HG12 H 1.000 0.005 . 319 42 ILE HG13 H 2.046 0.004 . 320 42 ILE HD1 H 0.648 0.000 . 321 42 ILE CD1 C 15.593 0.000 . 322 43 ALA N N 118.603 0.000 . 323 43 ALA H H 8.011 0.006 . 324 43 ALA CA C 54.363 0.000 . 325 43 ALA HA H 3.973 0.002 . 326 43 ALA HB H 0.806 0.004 . 327 43 ALA CB C 17.850 0.000 . 328 44 GLY N N 103.278 0.000 . 329 44 GLY H H 8.088 0.005 . 330 44 GLY CA C 46.067 0.000 . 331 44 GLY HA2 H 3.412 0.002 . 332 44 GLY HA3 H 3.620 0.000 . 333 45 LEU N N 119.456 0.000 . 334 45 LEU H H 8.111 0.011 . 335 45 LEU CA C 56.305 0.000 . 336 45 LEU HA H 4.168 0.000 . 337 45 LEU CB C 43.194 0.000 . 338 45 LEU HB2 H 0.648 0.001 . 339 45 LEU HB3 H 1.402 0.003 . 340 45 LEU CG C 25.424 0.000 . 341 45 LEU HG H 1.600 0.000 . 342 45 LEU HD2 H 0.553 0.000 . 343 45 LEU CD1 C 24.842 0.000 . 344 45 LEU CD2 C 23.133 0.000 . 345 46 CYS N N 122.169 0.000 . 346 46 CYS H H 8.551 0.006 . 347 46 CYS CA C 57.279 0.000 . 348 46 CYS HA H 4.681 0.000 . 349 46 CYS CB C 24.477 0.000 . 350 46 CYS HB2 H 2.560 0.005 . 351 46 CYS HB3 H 2.918 0.004 . 352 47 ASN N N 120.530 0.000 . 353 47 ASN H H 7.474 0.001 . 354 47 ASN CA C 53.802 0.000 . 355 47 ASN HA H 4.614 0.001 . 356 47 ASN CB C 39.235 0.000 . 357 47 ASN HB2 H 2.418 0.000 . 358 47 ASN HB3 H 2.506 0.000 . 359 47 ASN ND2 N 106.073 0.000 . 360 47 ASN HD21 H 6.365 0.000 . 361 47 ASN HD22 H 7.179 0.000 . 362 48 ARG N N 125.928 0.000 . 363 48 ARG H H 9.141 0.005 . 364 48 ARG CA C 55.488 0.000 . 365 48 ARG HA H 4.365 0.005 . 366 48 ARG CB C 31.251 0.000 . 367 48 ARG HB2 H 1.726 0.002 . 368 48 ARG HB3 H 2.097 0.006 . 369 48 ARG CG C 27.926 0.000 . 370 48 ARG HG2 H 1.624 0.000 . 371 48 ARG CD C 43.292 0.000 . 372 48 ARG HD2 H 3.275 0.000 . 373 49 ALA N N 126.795 0.000 . 374 49 ALA H H 8.627 0.003 . 375 49 ALA CA C 52.615 0.000 . 376 49 ALA HA H 4.674 0.003 . 377 49 ALA HB H 1.183 0.003 . 378 49 ALA CB C 18.886 0.000 . 379 50 VAL N N 113.398 0.000 . 380 50 VAL H H 7.958 0.005 . 381 50 VAL CA C 59.024 0.000 . 382 50 VAL HA H 4.423 0.004 . 383 50 VAL CB C 35.974 0.000 . 384 50 VAL HB H 2.207 0.004 . 385 50 VAL HG1 H 0.882 0.000 . 386 50 VAL HG2 H 0.811 0.000 . 387 50 VAL CG1 C 22.394 0.000 . 388 50 VAL CG2 C 18.432 0.000 . 389 51 PHE N N 120.434 0.000 . 390 51 PHE H H 8.319 0.002 . 391 51 PHE CA C 59.413 0.000 . 392 51 PHE HA H 4.701 0.000 . 393 51 PHE CB C 39.589 0.000 . 394 51 PHE HB2 H 2.863 0.002 . 395 51 PHE HB3 H 3.110 0.004 . 396 51 PHE HD1 H 7.296 0.000 . 397 51 PHE HE1 H 6.843 0.000 . 398 51 PHE CD1 C 132.604 0.000 . 399 51 PHE CE1 C 128.642 0.000 . 400 51 PHE CZ C 131.205 0.000 . 401 51 PHE HZ H 7.197 0.000 . 402 52 GLN N N 120.819 0.000 . 403 52 GLN H H 8.169 0.005 . 404 52 GLN CA C 56.288 0.000 . 405 52 GLN HA H 4.323 0.000 . 406 52 GLN CB C 29.097 0.000 . 407 52 GLN HB2 H 1.667 0.003 . 408 52 GLN HB3 H 2.244 0.002 . 409 52 GLN CG C 33.776 0.000 . 410 52 GLN HG2 H 2.201 0.001 . 411 52 GLN HG3 H 2.261 0.000 . 412 52 GLN NE2 N 111.567 0.000 . 413 52 GLN HE21 H 6.887 0.000 . 414 52 GLN HE22 H 7.139 0.000 . 415 55 GLN H H 7.424 0.000 . 416 55 GLN CA C 54.557 0.000 . 417 55 GLN HA H 4.575 0.000 . 418 55 GLN CB C 30.474 0.000 . 419 55 GLN HB2 H 1.778 0.000 . 420 55 GLN HB3 H 2.375 0.000 . 421 55 GLN CG C 34.747 0.000 . 422 55 GLN HG2 H 2.122 0.000 . 423 55 GLN HG3 H 2.377 0.000 . 424 56 GLU N N 119.374 0.000 . 425 56 GLU H H 9.104 0.000 . 426 56 GLU CA C 59.801 0.000 . 427 56 GLU HA H 3.718 0.001 . 428 56 GLU HB2 H 1.967 0.001 . 429 56 GLU HB3 H 2.298 0.002 . 430 57 ASN CA C 53.198 0.000 . 431 57 ASN HA H 4.633 0.001 . 432 57 ASN CB C 38.049 0.000 . 433 57 ASN HB2 H 2.729 0.000 . 434 57 ASN HB3 H 2.796 0.000 . 435 58 LEU N N 122.844 0.000 . 436 58 LEU H H 7.636 0.006 . 437 58 LEU CA C 52.446 0.000 . 438 58 LEU HA H 4.706 0.001 . 439 58 LEU CB C 42.557 0.013 . 440 58 LEU HB2 H 1.200 0.005 . 441 58 LEU HB3 H 1.687 0.005 . 442 58 LEU CG C 27.172 0.000 . 443 58 LEU HG H 1.569 0.001 . 444 58 LEU HD1 H 0.898 0.000 . 445 58 LEU HD2 H 0.842 0.000 . 446 58 LEU CD1 C 25.884 0.000 . 447 58 LEU CD2 C 23.517 0.000 . 448 59 PRO CD C 50.673 0.000 . 449 59 PRO CA C 62.714 0.000 . 450 59 PRO HA H 4.426 0.001 . 451 59 PRO CB C 32.028 0.000 . 452 59 PRO HB2 H 1.754 0.000 . 453 59 PRO HB3 H 2.411 0.000 . 454 59 PRO CG C 27.949 0.000 . 455 59 PRO HG2 H 2.003 0.000 . 456 59 PRO HG3 H 2.044 0.001 . 457 59 PRO HD2 H 3.380 0.001 . 458 59 PRO HD3 H 3.931 0.000 . 459 60 ILE N N 124.386 0.000 . 460 60 ILE H H 8.726 0.000 . 461 60 ILE CA C 66.016 0.000 . 462 60 ILE HA H 2.957 0.000 . 463 60 ILE CB C 38.049 0.000 . 464 60 ILE HB H 1.613 0.000 . 465 60 ILE HG2 H 0.923 0.002 . 466 60 ILE CG2 C 18.659 0.000 . 467 60 ILE CG1 C 29.259 0.000 . 468 60 ILE HG12 H 0.958 0.000 . 469 60 ILE HG13 H 1.687 0.000 . 470 60 ILE HD1 H 0.892 0.001 . 471 60 ILE CD1 C 13.965 0.000 . 472 61 LEU N N 114.940 0.000 . 473 61 LEU H H 8.824 0.005 . 474 61 LEU CA C 57.470 0.000 . 475 61 LEU HA H 3.999 0.002 . 476 61 LEU CB C 41.156 0.000 . 477 61 LEU HB2 H 1.611 0.000 . 478 61 LEU HB3 H 1.743 0.000 . 479 61 LEU CG C 27.561 0.000 . 480 61 LEU HG H 1.783 0.003 . 481 61 LEU HD1 H 0.954 0.000 . 482 61 LEU HD2 H 0.913 0.001 . 483 61 LEU CD1 C 25.036 0.000 . 484 61 LEU CD2 C 23.267 0.000 . 485 62 LYS N N 117.253 0.000 . 486 62 LYS H H 7.810 0.008 . 487 62 LYS CA C 55.202 0.000 . 488 62 LYS HA H 4.427 0.001 . 489 62 LYS CB C 33.387 0.000 . 490 62 LYS HB2 H 1.679 0.000 . 491 62 LYS HB3 H 2.086 0.001 . 492 62 LYS CG C 25.129 0.000 . 493 62 LYS HG2 H 1.356 0.000 . 494 62 LYS HG3 H 1.485 0.000 . 495 62 LYS CD C 28.726 0.000 . 496 62 LYS HD2 H 1.582 0.000 . 497 62 LYS HD3 H 1.650 0.000 . 498 62 LYS CE C 42.186 0.000 . 499 62 LYS HE2 H 2.947 0.004 . 500 62 LYS HE3 H 2.982 0.003 . 501 63 ARG N N 119.712 0.000 . 502 63 ARG H H 7.335 0.004 . 503 63 ARG CA C 57.708 0.000 . 504 63 ARG HA H 4.082 0.004 . 505 63 ARG CB C 32.102 0.000 . 506 63 ARG HB2 H 1.705 0.001 . 507 63 ARG HB3 H 1.905 0.001 . 508 63 ARG CG C 27.860 0.000 . 509 63 ARG HG2 H 1.623 0.000 . 510 63 ARG CD C 43.487 0.000 . 511 63 ARG HD2 H 2.009 0.003 . 512 63 ARG HD3 H 2.417 0.003 . 513 64 ALA N N 126.410 0.000 . 514 64 ALA H H 9.163 0.000 . 515 64 ALA CA C 52.262 0.000 . 516 64 ALA HA H 4.452 0.002 . 517 64 ALA HB H 1.299 0.003 . 518 64 ALA CB C 19.015 0.000 . 519 65 VAL N N 121.854 0.000 . 520 65 VAL H H 8.647 0.004 . 521 65 VAL CA C 60.578 0.000 . 522 65 VAL HA H 4.554 0.000 . 523 65 VAL CB C 36.106 0.000 . 524 65 VAL HB H 1.851 0.005 . 525 65 VAL HG1 H 0.592 0.000 . 526 65 VAL HG2 H 0.783 0.000 . 527 65 VAL CG1 C 23.141 0.000 . 528 65 VAL CG2 C 22.566 0.018 . 529 66 ALA N N 130.607 0.000 . 530 66 ALA H H 9.002 0.003 . 531 66 ALA CA C 50.673 0.000 . 532 66 ALA HA H 4.700 0.003 . 533 66 ALA HB H 1.245 0.003 . 534 66 ALA CB C 19.209 0.000 . 535 67 GLY CA C 44.069 0.000 . 536 67 GLY HA2 H 3.841 0.000 . 537 67 GLY HA3 H 4.174 0.000 . 538 68 ASP N N 121.398 0.000 . 539 68 ASP H H 9.019 0.001 . 540 68 ASP CA C 53.849 0.000 . 541 68 ASP HA H 4.503 0.005 . 542 68 ASP CB C 42.336 0.000 . 543 68 ASP HB2 H 2.486 0.006 . 544 68 ASP HB3 H 2.899 0.005 . 545 70 SER CA C 61.161 0.000 . 546 70 SER HA H 4.313 0.000 . 547 70 SER CB C 62.909 0.000 . 548 70 SER HB2 H 3.775 0.000 . 549 71 GLU N N 123.325 0.000 . 550 71 GLU H H 8.425 0.001 . 551 71 GLU CA C 61.438 0.000 . 552 71 GLU HA H 3.769 0.000 . 553 71 GLU CB C 27.874 0.000 . 554 71 GLU HB2 H 1.949 0.000 . 555 71 GLU HB3 H 2.369 0.000 . 556 71 GLU CG C 39.214 0.000 . 557 71 GLU HG2 H 1.680 0.000 . 558 71 GLU HG3 H 2.916 0.000 . 559 72 SER N N 116.868 0.000 . 560 72 SER H H 8.686 0.000 . 561 72 SER CA C 61.937 0.000 . 562 72 SER HA H 3.814 0.003 . 563 72 SER CB C 62.717 0.000 . 564 72 SER HB2 H 3.717 0.001 . 565 72 SER HB3 H 3.794 0.001 . 566 73 ALA N N 123.716 0.000 . 567 73 ALA H H 7.427 0.005 . 568 73 ALA CA C 55.173 0.000 . 569 73 ALA HA H 4.183 0.001 . 570 73 ALA HB H 1.411 0.003 . 571 73 ALA CB C 18.508 0.000 . 572 74 LEU N N 119.181 0.000 . 573 74 LEU H H 7.874 0.013 . 574 74 LEU CA C 58.053 0.000 . 575 74 LEU HA H 3.750 0.000 . 576 74 LEU CB C 42.127 0.000 . 577 74 LEU HB2 H 1.087 0.001 . 578 74 LEU HB3 H 1.795 0.001 . 579 74 LEU CG C 26.395 0.000 . 580 74 LEU HG H 2.003 0.000 . 581 74 LEU HD1 H 0.993 0.000 . 582 74 LEU HD2 H 0.782 0.000 . 583 74 LEU CD1 C 25.813 0.000 . 584 74 LEU CD2 C 23.482 0.000 . 585 75 LEU N N 120.466 0.000 . 586 75 LEU H H 8.294 0.007 . 587 75 LEU CA C 58.636 0.000 . 588 75 LEU HA H 3.694 0.000 . 589 75 LEU CB C 42.328 0.000 . 590 75 LEU HB2 H 1.200 0.001 . 591 75 LEU HB3 H 1.889 0.000 . 592 75 LEU CG C 27.103 0.000 . 593 75 LEU HG H 0.934 0.000 . 594 75 LEU HD1 H 0.663 0.001 . 595 75 LEU CD1 C 22.511 0.000 . 596 75 LEU CD2 C 25.036 0.000 . 597 76 LYS N N 115.229 0.000 . 598 76 LYS H H 7.932 0.009 . 599 76 LYS CA C 61.422 0.000 . 600 76 LYS HA H 3.783 0.000 . 601 76 LYS CB C 33.071 0.000 . 602 76 LYS HB2 H 1.871 0.006 . 603 76 LYS CG C 28.143 0.000 . 604 76 LYS HG2 H 1.361 0.003 . 605 76 LYS HG3 H 1.706 0.000 . 606 76 LYS CD C 30.347 0.000 . 607 76 LYS HD2 H 1.758 0.001 . 608 76 LYS HD3 H 1.840 0.000 . 609 76 LYS CE C 42.965 0.000 . 610 76 LYS HE2 H 2.921 0.000 . 611 76 LYS HE3 H 3.220 0.000 . 612 77 CYS N N 115.711 0.000 . 613 77 CYS H H 7.555 0.005 . 614 77 CYS CA C 58.636 0.000 . 615 77 CYS HA H 4.452 0.003 . 616 77 CYS CB C 43.681 0.000 . 617 77 CYS HB2 H 3.117 0.000 . 618 77 CYS HB3 H 3.241 0.002 . 619 78 ILE N N 117.157 0.000 . 620 78 ILE H H 8.203 0.007 . 621 78 ILE CA C 62.714 0.000 . 622 78 ILE HA H 3.628 0.001 . 623 78 ILE CB C 34.553 0.000 . 624 78 ILE HB H 1.859 0.001 . 625 78 ILE HG2 H 0.658 0.002 . 626 78 ILE CG2 C 19.671 0.000 . 627 78 ILE CG1 C 26.526 0.000 . 628 78 ILE HG12 H 0.937 0.000 . 629 78 ILE HG13 H 1.843 0.000 . 630 78 ILE HD1 H 0.421 0.002 . 631 78 ILE CD1 C 9.304 0.000 . 632 79 GLU N N 123.671 0.000 . 633 79 GLU H H 8.726 0.000 . 634 79 GLU CA C 59.014 0.000 . 635 79 GLU HA H 4.546 0.003 . 636 79 GLU CB C 28.532 0.000 . 637 79 GLU HB2 H 2.005 0.001 . 638 79 GLU HB3 H 2.711 0.000 . 639 79 GLU CG C 34.553 0.000 . 640 79 GLU HG2 H 2.173 0.000 . 641 79 GLU HG3 H 2.236 0.002 . 642 80 VAL N N 116.937 0.000 . 643 80 VAL H H 8.121 0.006 . 644 80 VAL CA C 65.239 0.000 . 645 80 VAL HA H 3.837 0.005 . 646 80 VAL CB C 32.028 0.000 . 647 80 VAL HB H 2.204 0.000 . 648 80 VAL HG1 H 1.069 0.000 . 649 80 VAL HG2 H 1.138 0.001 . 650 80 VAL CG1 C 21.151 0.000 . 651 80 VAL CG2 C 22.899 0.000 . 652 81 CYS N N 117.928 0.000 . 653 81 CYS H H 7.806 0.004 . 654 81 CYS CA C 61.743 0.000 . 655 81 CYS HA H 4.308 0.008 . 656 81 CYS CB C 29.503 0.000 . 657 81 CYS HB2 H 3.186 0.006 . 658 82 CYS N N 113.494 0.000 . 659 82 CYS H H 8.968 0.008 . 660 82 CYS CA C 54.360 0.000 . 661 82 CYS HA H 4.985 0.001 . 662 82 CYS CB C 42.792 0.000 . 663 82 CYS HB2 H 2.920 0.003 . 664 82 CYS HB3 H 3.238 0.002 . 665 83 GLY N N 111.759 0.000 . 666 83 GLY H H 7.877 0.007 . 667 83 GLY CA C 44.069 0.000 . 668 83 GLY HA2 H 3.811 0.004 . 669 83 GLY HA3 H 4.371 0.005 . 670 84 SER N N 108.334 0.000 . 671 84 SER H H 7.843 0.000 . 672 84 SER CA C 58.013 0.000 . 673 84 SER HA H 4.736 0.004 . 674 84 SER CB C 63.170 0.000 . 675 84 SER HB2 H 3.797 0.001 . 676 84 SER HB3 H 4.017 0.003 . 677 85 VAL N N 135.566 0.000 . 678 85 VAL H H 9.748 0.009 . 679 85 VAL CA C 65.885 0.000 . 680 85 VAL HA H 3.658 0.000 . 681 85 VAL CB C 31.445 0.000 . 682 85 VAL HB H 1.981 0.001 . 683 85 VAL HG1 H 0.770 0.003 . 684 85 VAL HG2 H 1.102 0.002 . 685 85 VAL CG1 C 22.317 0.000 . 686 85 VAL CG2 C 23.871 0.000 . 687 86 MET N N 120.819 0.000 . 688 86 MET H H 8.869 0.007 . 689 86 MET CA C 57.950 0.000 . 690 86 MET HA H 4.326 0.001 . 691 86 MET CB C 30.125 0.000 . 692 86 MET HB2 H 2.058 0.000 . 693 86 MET HB3 H 2.095 0.000 . 694 86 MET CG C 32.610 0.000 . 695 86 MET HG2 H 2.845 0.000 . 696 86 MET HG3 H 2.880 0.001 . 697 86 MET HE H 2.162 0.000 . 698 86 MET CE C 17.073 0.000 . 699 87 GLU N N 121.012 0.000 . 700 87 GLU H H 8.018 0.003 . 701 87 GLU CA C 59.440 0.010 . 702 87 GLU HA H 4.040 0.004 . 703 87 GLU CB C 29.524 0.029 . 704 87 GLU HB2 H 2.023 0.000 . 705 87 GLU HB3 H 2.066 0.001 . 706 87 GLU CG C 36.688 0.001 . 707 87 GLU HG2 H 2.248 0.001 . 708 87 GLU HG3 H 2.391 0.000 . 709 88 MET N N 121.976 0.000 . 710 88 MET H H 7.445 0.002 . 711 88 MET CA C 59.840 0.000 . 712 88 MET HA H 4.126 0.000 . 713 88 MET CB C 34.147 0.000 . 714 88 MET HB2 H 2.277 0.000 . 715 88 MET HB3 H 2.332 0.001 . 716 88 MET CG C 30.956 0.000 . 717 88 MET HG2 H 2.311 0.002 . 718 88 MET HG3 H 2.655 0.004 . 719 88 MET HE H 1.762 0.000 . 720 88 MET CE C 15.519 0.000 . 721 89 ARG N N 118.121 0.000 . 722 89 ARG H H 8.472 0.002 . 723 89 ARG CA C 59.688 0.000 . 724 89 ARG HA H 3.892 0.004 . 725 89 ARG CB C 30.280 0.000 . 726 89 ARG HB2 H 2.040 0.001 . 727 89 ARG CG C 28.697 0.000 . 728 89 ARG HG2 H 1.935 0.001 . 729 89 ARG CD C 44.894 0.000 . 730 89 ARG HD2 H 3.024 0.006 . 731 89 ARG HD3 H 3.335 0.003 . 732 90 GLU N N 117.601 0.000 . 733 90 GLU H H 7.696 0.006 . 734 90 GLU CA C 58.053 0.000 . 735 90 GLU HA H 4.044 0.001 . 736 90 GLU CB C 29.735 0.000 . 737 90 GLU HB2 H 2.040 0.000 . 738 90 GLU HB3 H 2.090 0.000 . 739 90 GLU CG C 36.301 0.000 . 740 90 GLU HG2 H 2.274 0.003 . 741 90 GLU HG3 H 2.377 0.000 . 742 91 LYS N N 119.663 0.000 . 743 91 LYS H H 7.640 0.009 . 744 91 LYS CA C 58.452 0.000 . 745 91 LYS HA H 4.036 0.001 . 746 91 LYS CB C 33.016 0.000 . 747 91 LYS HB2 H 1.715 0.000 . 748 91 LYS HB3 H 1.876 0.001 . 749 91 LYS CG C 25.330 0.000 . 750 91 LYS HG2 H 0.897 0.004 . 751 91 LYS HG3 H 1.364 0.003 . 752 91 LYS CD C 29.309 0.000 . 753 91 LYS HD2 H 1.545 0.005 . 754 91 LYS CE C 42.127 0.000 . 755 91 LYS HE2 H 2.801 0.000 . 756 92 TYR N N 119.952 0.000 . 757 92 TYR H H 7.651 0.002 . 758 92 TYR CA C 54.763 0.000 . 759 92 TYR HA H 5.264 0.000 . 760 92 TYR CB C 38.127 0.026 . 761 92 TYR HB2 H 2.685 0.000 . 762 92 TYR HB3 H 2.911 0.000 . 763 92 TYR HD1 H 7.398 0.001 . 764 92 TYR HE1 H 6.722 0.001 . 765 92 TYR CD1 C 134.468 0.000 . 766 92 TYR CE1 C 117.455 0.000 . 767 93 THR N N 116.675 0.000 . 768 93 THR H H 7.213 0.008 . 769 93 THR CA C 64.740 0.000 . 770 93 THR HA H 3.964 0.004 . 771 93 THR CB C 70.483 0.000 . 772 93 THR HB H 3.752 0.004 . 773 93 THR HG2 H 1.270 0.003 . 774 93 THR CG2 C 21.540 0.000 . 775 94 LYS N N 129.301 0.000 . 776 94 LYS H H 8.678 0.002 . 777 94 LYS CA C 58.247 0.000 . 778 94 LYS HA H 3.518 0.004 . 779 94 LYS CB C 32.075 0.000 . 780 94 LYS HB2 H 1.754 0.000 . 781 94 LYS HB3 H 1.944 0.004 . 782 94 LYS CG C 24.259 0.000 . 783 94 LYS HG2 H 0.766 0.000 . 784 94 LYS HG3 H 1.043 0.000 . 785 94 LYS CD C 29.503 0.000 . 786 94 LYS HD2 H 1.624 0.000 . 787 94 LYS CE C 41.642 0.000 . 788 94 LYS HE2 H 2.945 0.000 . 789 95 ILE N N 128.723 0.000 . 790 95 ILE H H 9.327 0.005 . 791 95 ILE CA C 63.491 0.000 . 792 95 ILE HA H 4.104 0.003 . 793 95 ILE CB C 39.991 0.000 . 794 95 ILE HB H 1.325 0.001 . 795 95 ILE HG2 H 1.135 0.002 . 796 95 ILE CG2 C 18.432 0.000 . 797 95 ILE CG1 C 27.172 0.000 . 798 95 ILE HG12 H 1.016 0.000 . 799 95 ILE HG13 H 1.658 0.002 . 800 95 ILE HD1 H 1.015 0.001 . 801 95 ILE CD1 C 14.742 0.000 . 802 96 VAL N N 110.138 0.000 . 803 96 VAL H H 6.923 0.008 . 804 96 VAL CA C 59.218 0.000 . 805 96 VAL HA H 4.623 0.005 . 806 96 VAL CB C 37.132 0.000 . 807 96 VAL HB H 1.918 0.001 . 808 96 VAL HG1 H 0.855 0.003 . 809 96 VAL HG2 H 0.311 0.001 . 810 96 VAL CG1 C 22.511 0.000 . 811 96 VAL CG2 C 19.403 0.000 . 812 97 GLU N N 120.434 0.000 . 813 97 GLU H H 8.524 0.009 . 814 97 GLU CA C 55.287 0.000 . 815 97 GLU HA H 4.875 0.001 . 816 97 GLU CB C 35.005 0.000 . 817 97 GLU HB2 H 1.879 0.000 . 818 97 GLU HB3 H 1.973 0.002 . 819 97 GLU CG C 35.718 0.000 . 820 97 GLU HG2 H 1.915 0.000 . 821 97 GLU HG3 H 2.127 0.000 . 822 98 ILE N N 124.386 0.000 . 823 98 ILE H H 9.059 0.001 . 824 98 ILE CA C 59.024 0.000 . 825 98 ILE HA H 4.680 0.002 . 826 98 ILE CB C 39.991 0.000 . 827 98 ILE HB H 1.975 0.000 . 828 98 ILE HG2 H 1.049 0.000 . 829 98 ILE CG2 C 16.684 0.000 . 830 98 ILE CG1 C 27.342 0.000 . 831 98 ILE HG12 H 1.259 0.000 . 832 98 ILE HG13 H 1.650 0.005 . 833 98 ILE HD1 H 1.140 0.000 . 834 98 ILE CD1 C 13.577 0.000 . 835 99 PRO CD C 51.722 0.000 . 836 99 PRO CA C 62.428 0.000 . 837 99 PRO HA H 4.422 0.001 . 838 99 PRO CB C 32.805 0.000 . 839 99 PRO HB2 H 1.991 0.000 . 840 99 PRO HB3 H 2.331 0.000 . 841 99 PRO CG C 27.172 0.000 . 842 99 PRO HG2 H 1.959 0.000 . 843 99 PRO HG3 H 2.096 0.000 . 844 99 PRO HD2 H 3.834 0.000 . 845 100 PHE N N 122.651 0.000 . 846 100 PHE H H 8.710 0.000 . 847 100 PHE CA C 59.838 0.000 . 848 100 PHE HA H 4.289 0.003 . 849 100 PHE CB C 39.745 0.000 . 850 100 PHE HB2 H 2.855 0.004 . 851 100 PHE HB3 H 3.112 0.000 . 852 100 PHE HD1 H 6.921 0.004 . 853 100 PHE CD1 C 131.671 0.000 . 854 103 THR CA C 65.265 0.000 . 855 103 THR HA H 4.098 0.000 . 856 103 THR CB C 68.347 0.000 . 857 103 THR HB H 4.037 0.000 . 858 103 THR HG2 H 1.112 0.001 . 859 103 THR CG2 C 21.579 0.000 . 860 104 ASN N N 120.145 0.000 . 861 104 ASN H H 8.172 0.000 . 862 104 ASN CA C 54.169 0.000 . 863 104 ASN HA H 4.194 0.000 . 864 104 ASN CB C 36.883 0.000 . 865 104 ASN HB2 H 1.502 0.000 . 866 104 ASN HB3 H 2.088 0.000 . 867 104 ASN ND2 N 112.723 0.000 . 868 104 ASN HD21 H 6.835 0.000 . 869 104 ASN HD22 H 7.851 0.000 . 870 105 LYS CA C 57.665 0.000 . 871 105 LYS HA H 3.421 0.000 . 872 105 LYS CB C 29.891 0.000 . 873 105 LYS HB2 H 1.563 0.000 . 874 105 LYS HB3 H 1.753 0.000 . 875 105 LYS CG C 25.861 0.000 . 876 105 LYS HG2 H 1.206 0.000 . 877 105 LYS CE C 42.731 0.000 . 878 105 LYS HE2 H 3.073 0.000 . 879 106 TYR N N 108.964 0.000 . 880 106 TYR H H 6.548 0.004 . 881 106 TYR CA C 55.777 0.000 . 882 106 TYR HA H 5.424 0.002 . 883 106 TYR CB C 41.180 0.000 . 884 106 TYR HB2 H 2.734 0.006 . 885 106 TYR HB3 H 2.939 0.002 . 886 106 TYR HD1 H 6.551 0.000 . 887 106 TYR HE1 H 6.539 0.000 . 888 106 TYR CD1 C 133.536 0.000 . 889 106 TYR CE1 C 117.222 0.000 . 890 107 GLN N N 121.494 0.000 . 891 107 GLN H H 9.192 0.000 . 892 107 GLN HA H 4.855 0.003 . 893 107 GLN CB C 34.553 0.000 . 894 107 GLN HB2 H 1.878 0.000 . 895 107 GLN HB3 H 2.292 0.000 . 896 107 GLN CG C 34.553 0.000 . 897 107 GLN HG2 H 2.741 0.000 . 898 108 LEU N N 122.902 0.000 . 899 108 LEU H H 8.577 0.001 . 900 108 LEU CA C 53.974 0.000 . 901 108 LEU HA H 5.716 0.005 . 902 108 LEU CB C 47.177 0.000 . 903 108 LEU HB2 H 1.651 0.003 . 904 108 LEU HB3 H 1.880 0.001 . 905 108 LEU CG C 26.395 0.000 . 906 108 LEU HG H 1.850 0.000 . 907 108 LEU HD1 H 0.817 0.000 . 908 108 LEU HD2 H 0.842 0.000 . 909 108 LEU CD1 C 25.618 0.000 . 910 108 LEU CD2 C 27.366 0.000 . 911 109 SER N N 116.482 0.000 . 912 109 SER H H 9.296 0.000 . 913 109 SER CA C 58.983 0.041 . 914 109 SER HA H 4.667 0.001 . 915 109 SER CB C 63.440 0.029 . 916 109 SER HB2 H 3.775 0.000 . 917 109 SER HB3 H 4.006 0.000 . 918 110 ILE N N 119.759 0.000 . 919 110 ILE H H 7.983 0.001 . 920 110 ILE CA C 59.895 0.000 . 921 110 ILE HA H 5.014 0.002 . 922 110 ILE CB C 39.602 0.000 . 923 110 ILE HB H 0.671 0.001 . 924 110 ILE CG2 C 16.296 0.000 . 925 110 ILE CG1 C 27.755 0.000 . 926 110 ILE HG12 H 0.150 0.000 . 927 110 ILE HG13 H 0.659 0.000 . 928 110 ILE CD1 C 11.440 0.000 . 929 111 HIS N N 127.181 0.000 . 930 111 HIS H H 9.453 0.002 . 931 111 HIS CA C 54.238 0.000 . 932 111 HIS HA H 5.278 0.002 . 933 111 HIS CB C 32.610 0.000 . 934 111 HIS HB2 H 2.619 0.001 . 935 111 HIS HB3 H 3.093 0.004 . 936 111 HIS CD2 C 129.341 0.000 . 937 111 HIS HD1 H 11.509 0.001 . 938 111 HIS CE1 C 137.265 0.000 . 939 111 HIS HD2 H 6.686 0.000 . 940 111 HIS HE1 H 7.748 0.000 . 941 112 LYS N N 123.711 0.000 . 942 112 LYS H H 9.030 0.009 . 943 112 LYS CA C 56.354 0.000 . 944 112 LYS HA H 4.604 0.004 . 945 112 LYS CB C 32.999 0.000 . 946 112 LYS HB2 H 1.827 0.002 . 947 112 LYS HB3 H 1.951 0.000 . 948 112 LYS CG C 25.310 0.000 . 949 112 LYS HG2 H 1.506 0.000 . 950 112 LYS HG3 H 1.579 0.000 . 951 112 LYS CD C 28.920 0.000 . 952 112 LYS HD2 H 1.754 0.000 . 953 112 LYS CE C 41.804 0.000 . 954 112 LYS HE2 H 2.947 0.000 . 955 112 LYS HE3 H 3.044 0.000 . 956 113 ASN N N 120.374 0.000 . 957 113 ASN H H 8.389 0.003 . 958 113 ASN CA C 48.925 0.000 . 959 113 ASN HA H 5.082 0.001 . 960 113 ASN CB C 40.185 0.000 . 961 113 ASN HB2 H 2.099 0.000 . 962 113 ASN HB3 H 3.750 0.002 . 963 114 PRO CD C 49.896 0.000 . 964 114 PRO CA C 62.764 0.000 . 965 114 PRO HA H 4.469 0.000 . 966 114 PRO CB C 32.027 0.002 . 967 114 PRO HB2 H 1.994 0.000 . 968 114 PRO CG C 25.813 0.000 . 969 114 PRO HG2 H 1.375 0.000 . 970 114 PRO HG3 H 1.487 0.000 . 971 114 PRO HD2 H 3.222 0.000 . 972 114 PRO HD3 H 3.247 0.000 . 973 115 ASN N N 122.080 0.000 . 974 115 ASN H H 7.896 0.005 . 975 115 ASN CA C 53.668 0.000 . 976 115 ASN HA H 4.456 0.004 . 977 115 ASN CB C 38.331 0.000 . 978 115 ASN HB2 H 2.799 0.000 . 979 115 ASN HB3 H 2.850 0.000 . 980 117 SER CA C 58.636 0.000 . 981 117 SER HA H 4.355 0.001 . 982 117 SER CB C 63.103 0.000 . 983 117 SER HB2 H 3.878 0.000 . 984 117 SER HB3 H 4.000 0.001 . 985 118 GLU N N 123.615 0.000 . 986 118 GLU H H 7.763 0.001 . 987 118 GLU HA H 4.787 0.002 . 988 119 PRO CD C 50.759 0.000 . 989 119 PRO HA H 4.743 0.000 . 990 119 PRO CB C 33.073 0.000 . 991 119 PRO HB2 H 1.929 0.000 . 992 119 PRO HB3 H 2.748 0.000 . 993 119 PRO CG C 28.290 0.000 . 994 119 PRO HG2 H 1.801 0.000 . 995 119 PRO HG3 H 1.919 0.000 . 996 119 PRO HD2 H 3.472 0.000 . 997 119 PRO HD3 H 3.852 0.000 . 998 120 LYS N N 119.181 0.000 . 999 120 LYS H H 9.650 0.003 . 1000 120 LYS CA C 58.047 0.000 . 1001 120 LYS HA H 4.237 0.003 . 1002 120 LYS CB C 32.416 0.000 . 1003 120 LYS HB2 H 1.340 0.004 . 1004 120 LYS HB3 H 1.608 0.001 . 1005 120 LYS CG C 25.203 0.000 . 1006 120 LYS HG2 H 1.534 0.000 . 1007 120 LYS HG3 H 1.584 0.001 . 1008 120 LYS CD C 28.421 0.000 . 1009 120 LYS HD2 H 1.639 0.000 . 1010 120 LYS HD3 H 1.736 0.000 . 1011 120 LYS CE C 42.599 0.000 . 1012 120 LYS HE2 H 2.982 0.000 . 1013 120 LYS HE3 H 3.039 0.000 . 1014 121 HIS N N 115.711 0.000 . 1015 121 HIS H H 8.416 0.002 . 1016 121 HIS CA C 56.111 0.000 . 1017 121 HIS HA H 5.493 0.004 . 1018 121 HIS CB C 31.445 0.000 . 1019 121 HIS HB2 H 2.564 0.001 . 1020 121 HIS HB3 H 2.993 0.000 . 1021 121 HIS CD2 C 127.476 0.000 . 1022 121 HIS HD1 H 11.418 0.000 . 1023 121 HIS CE1 C 139.362 0.000 . 1024 121 HIS HD2 H 6.667 0.000 . 1025 121 HIS HE1 H 7.660 0.000 . 1026 122 LEU N N 128.150 0.000 . 1027 122 LEU H H 9.419 0.007 . 1028 122 LEU HA H 4.778 0.008 . 1029 122 LEU CB C 46.480 0.000 . 1030 122 LEU HB2 H 1.268 0.003 . 1031 122 LEU HB3 H 1.609 0.006 . 1032 122 LEU CG C 27.362 0.000 . 1033 122 LEU HG H 1.176 0.001 . 1034 122 LEU HD1 H 0.482 0.000 . 1035 122 LEU HD2 H 0.245 0.000 . 1036 122 LEU CD1 C 22.910 0.000 . 1037 122 LEU CD2 C 26.007 0.000 . 1038 123 LEU N N 132.289 0.000 . 1039 123 LEU H H 8.970 0.004 . 1040 123 LEU CA C 54.597 0.000 . 1041 123 LEU HA H 5.067 0.005 . 1042 123 LEU CB C 44.652 0.000 . 1043 123 LEU HB2 H 1.264 0.002 . 1044 123 LEU HB3 H 1.862 0.005 . 1045 123 LEU HD1 H 0.947 0.004 . 1046 123 LEU HD2 H 0.706 0.003 . 1047 123 LEU CD1 C 28.726 0.000 . 1048 123 LEU CD2 C 25.036 0.000 . 1049 124 VAL N N 118.249 0.000 . 1050 124 VAL H H 9.313 0.006 . 1051 124 VAL CA C 59.413 0.000 . 1052 124 VAL HA H 5.014 0.000 . 1053 124 VAL CB C 35.169 0.000 . 1054 124 VAL HB H 2.228 0.003 . 1055 124 VAL HG1 H 0.721 0.000 . 1056 124 VAL HG2 H 1.023 0.000 . 1057 124 VAL CG1 C 23.094 0.000 . 1058 124 VAL CG2 C 20.375 0.000 . 1059 125 MET N N 123.904 0.000 . 1060 125 MET H H 8.473 0.001 . 1061 125 MET CA C 55.334 0.000 . 1062 125 MET HA H 5.483 0.004 . 1063 125 MET CB C 37.077 0.000 . 1064 125 MET HB2 H 1.775 0.001 . 1065 125 MET HB3 H 1.882 0.004 . 1066 125 MET CG C 31.639 0.000 . 1067 125 MET HG2 H 1.863 0.001 . 1068 125 MET HG3 H 2.321 0.000 . 1069 125 MET HE H 1.088 0.000 . 1070 125 MET CE C 16.879 0.000 . 1071 126 LYS N N 122.747 0.000 . 1072 126 LYS H H 8.360 0.000 . 1073 126 LYS CA C 53.392 0.000 . 1074 126 LYS HA H 5.456 0.002 . 1075 126 LYS CB C 37.466 0.000 . 1076 126 LYS HB2 H 1.126 0.001 . 1077 126 LYS HB3 H 1.417 0.000 . 1078 126 LYS CG C 23.676 0.000 . 1079 126 LYS HG2 H 1.032 0.000 . 1080 126 LYS HG3 H 1.375 0.000 . 1081 126 LYS CD C 31.207 0.012 . 1082 126 LYS HD2 H 1.411 0.000 . 1083 126 LYS HD3 H 1.688 0.000 . 1084 126 LYS CE C 42.179 0.000 . 1085 126 LYS HE2 H 2.824 0.000 . 1086 126 LYS HE3 H 2.989 0.000 . 1087 127 GLY N N 106.266 0.000 . 1088 127 GLY H H 8.195 0.000 . 1089 127 GLY CA C 45.623 0.000 . 1090 127 GLY HA2 H 4.077 0.003 . 1091 127 GLY HA3 H 4.711 0.003 . 1092 128 ALA N N 127.181 0.000 . 1093 128 ALA H H 8.550 0.006 . 1094 128 ALA HA H 4.774 0.009 . 1095 128 ALA HB H 1.657 0.004 . 1096 128 ALA CB C 18.238 0.000 . 1097 129 PRO CD C 50.867 0.000 . 1098 129 PRO CA C 67.181 0.000 . 1099 129 PRO HA H 3.809 0.000 . 1100 129 PRO CB C 32.222 0.000 . 1101 129 PRO HB2 H 1.338 0.000 . 1102 129 PRO HB3 H 1.884 0.003 . 1103 129 PRO CG C 28.920 0.000 . 1104 129 PRO HG2 H 1.510 0.000 . 1105 129 PRO HG3 H 1.710 0.000 . 1106 129 PRO HD2 H 3.936 0.001 . 1107 129 PRO HD3 H 4.403 0.000 . 1108 130 GLU N N 116.386 0.000 . 1109 130 GLU H H 10.188 0.008 . 1110 130 GLU CA C 59.413 0.000 . 1111 130 GLU HA H 4.028 0.004 . 1112 130 GLU CB C 28.143 0.000 . 1113 130 GLU HB2 H 2.063 0.000 . 1114 130 GLU HB3 H 2.263 0.000 . 1115 130 GLU CG C 36.301 0.000 . 1116 130 GLU HG2 H 2.482 0.000 . 1117 131 ARG N N 118.024 0.000 . 1118 131 ARG H H 7.054 0.006 . 1119 131 ARG CA C 56.342 0.015 . 1120 131 ARG HA H 4.376 0.004 . 1121 131 ARG CB C 29.503 0.000 . 1122 131 ARG HB2 H 2.043 0.001 . 1123 131 ARG HB3 H 2.098 0.001 . 1124 131 ARG CG C 26.590 0.000 . 1125 131 ARG HG2 H 1.765 0.001 . 1126 131 ARG HG3 H 1.854 0.000 . 1127 131 ARG CD C 42.357 0.000 . 1128 131 ARG HD2 H 3.366 0.003 . 1129 132 ILE N N 119.277 0.000 . 1130 132 ILE H H 7.871 0.004 . 1131 132 ILE CA C 61.355 0.000 . 1132 132 ILE HA H 3.702 0.000 . 1133 132 ILE CB C 36.079 0.000 . 1134 132 ILE HB H 2.145 0.000 . 1135 132 ILE HG2 H 0.868 0.001 . 1136 132 ILE CG2 C 18.238 0.000 . 1137 132 ILE CG1 C 27.195 0.000 . 1138 132 ILE HG12 H 0.981 0.000 . 1139 132 ILE HG13 H 1.500 0.002 . 1140 132 ILE HD1 H 0.448 0.006 . 1141 132 ILE CD1 C 10.081 0.000 . 1142 133 LEU N N 121.976 0.000 . 1143 133 LEU H H 8.328 0.004 . 1144 133 LEU CA C 58.729 0.000 . 1145 133 LEU HA H 3.541 0.003 . 1146 133 LEU CB C 40.185 0.000 . 1147 133 LEU HB2 H 0.717 0.004 . 1148 133 LEU HB3 H 1.379 0.005 . 1149 133 LEU CG C 25.635 0.000 . 1150 133 LEU HG H 1.152 0.005 . 1151 133 LEU HD2 H 0.133 0.003 . 1152 133 LEU CD1 C 22.317 0.000 . 1153 133 LEU CD2 C 24.453 0.000 . 1154 134 ASP N N 114.991 0.000 . 1155 134 ASP H H 7.006 0.005 . 1156 134 ASP CA C 56.305 0.000 . 1157 134 ASP HA H 4.371 0.004 . 1158 134 ASP CB C 41.156 0.000 . 1159 134 ASP HB2 H 2.713 0.000 . 1160 135 ARG N N 116.771 0.000 . 1161 135 ARG H H 7.411 0.007 . 1162 135 ARG CA C 55.334 0.000 . 1163 135 ARG HA H 4.559 0.001 . 1164 135 ARG CB C 30.474 0.000 . 1165 135 ARG HB2 H 1.754 0.001 . 1166 135 ARG HB3 H 2.220 0.001 . 1167 135 ARG CG C 27.366 0.000 . 1168 135 ARG HG2 H 1.504 0.003 . 1169 135 ARG HG3 H 1.843 0.000 . 1170 135 ARG CD C 42.904 0.000 . 1171 135 ARG HD2 H 2.963 0.002 . 1172 135 ARG HD3 H 3.130 0.003 . 1173 136 CYS N N 116.193 0.000 . 1174 136 CYS H H 7.628 0.006 . 1175 136 CYS CA C 59.218 0.000 . 1176 136 CYS HA H 4.885 0.005 . 1177 136 CYS CB C 30.862 0.000 . 1178 136 CYS HB2 H 2.895 0.000 . 1179 136 CYS HB3 H 2.977 0.000 . 1180 137 SER N N 113.783 0.000 . 1181 137 SER H H 8.983 0.007 . 1182 137 SER CA C 57.470 0.000 . 1183 137 SER HA H 4.878 0.002 . 1184 137 SER CB C 64.657 0.000 . 1185 137 SER HB2 H 3.837 0.001 . 1186 137 SER HB3 H 4.059 0.000 . 1187 138 SER N N 120.819 0.000 . 1188 138 SER H H 8.332 0.005 . 1189 138 SER CA C 56.936 0.000 . 1190 138 SER HA H 5.341 0.004 . 1191 138 SER CB C 67.076 0.000 . 1192 138 SER HB2 H 3.810 0.001 . 1193 138 SER HB3 H 3.865 0.001 . 1194 139 ILE N N 121.205 0.000 . 1195 139 ILE H H 9.717 0.002 . 1196 139 ILE CA C 58.873 0.000 . 1197 139 ILE HA H 5.596 0.003 . 1198 139 ILE CB C 41.933 0.000 . 1199 139 ILE HB H 1.794 0.000 . 1200 139 ILE HG2 H 0.921 0.000 . 1201 139 ILE CG2 C 15.519 0.000 . 1202 139 ILE CG1 C 28.599 0.000 . 1203 139 ILE HG12 H 1.027 0.000 . 1204 139 ILE HG13 H 1.997 0.000 . 1205 139 ILE HD1 H 1.020 0.001 . 1206 139 ILE CD1 C 14.936 0.000 . 1207 140 LEU N N 129.783 0.000 . 1208 140 LEU H H 8.166 0.008 . 1209 140 LEU CA C 53.756 0.015 . 1210 140 LEU HA H 4.430 0.001 . 1211 140 LEU CB C 44.264 0.000 . 1212 140 LEU HB2 H 1.052 0.003 . 1213 140 LEU HB3 H 1.887 0.000 . 1214 140 LEU CG C 26.978 0.000 . 1215 140 LEU HG H 1.310 0.000 . 1216 140 LEU HD1 H 0.700 0.000 . 1217 140 LEU HD2 H 0.803 0.000 . 1218 140 LEU CD1 C 23.482 0.000 . 1219 140 LEU CD2 C 27.172 0.000 . 1220 141 LEU N N 126.612 0.000 . 1221 141 LEU H H 8.673 0.008 . 1222 141 LEU HA H 4.824 0.006 . 1223 141 LEU CB C 44.932 0.000 . 1224 141 LEU HB2 H 1.326 0.001 . 1225 141 LEU HB3 H 1.628 0.002 . 1226 141 LEU CG C 26.590 0.000 . 1227 141 LEU HG H 1.439 0.000 . 1228 141 LEU HD1 H 0.850 0.000 . 1229 141 LEU HD2 H 0.820 0.000 . 1230 141 LEU CD1 C 25.813 0.000 . 1231 141 LEU CD2 C 24.541 0.000 . 1232 142 HIS N N 126.024 0.000 . 1233 142 HIS H H 9.682 0.001 . 1234 142 HIS CA C 56.888 0.000 . 1235 142 HIS HA H 4.295 0.005 . 1236 142 HIS CB C 28.143 0.000 . 1237 142 HIS HB2 H 3.197 0.000 . 1238 142 HIS CD2 C 119.320 0.000 . 1239 142 HIS CE1 C 138.663 0.000 . 1240 142 HIS HD2 H 6.870 0.000 . 1241 142 HIS HE1 H 7.748 0.000 . 1242 143 GLY N N 100.290 0.000 . 1243 143 GLY H H 7.502 0.000 . 1244 143 GLY CA C 46.206 0.000 . 1245 143 GLY HA2 H 3.228 0.000 . 1246 143 GLY HA3 H 4.198 0.000 . 1247 144 LYS N N 122.844 0.000 . 1248 144 LYS H H 7.999 0.004 . 1249 144 LYS CA C 54.651 0.000 . 1250 144 LYS HA H 4.713 0.000 . 1251 144 LYS CB C 35.162 0.000 . 1252 144 LYS HB2 H 1.831 0.001 . 1253 144 LYS HB3 H 1.904 0.000 . 1254 144 LYS CG C 24.710 0.000 . 1255 144 LYS HG2 H 1.442 0.000 . 1256 144 LYS HG3 H 1.497 0.000 . 1257 144 LYS CD C 28.920 0.000 . 1258 144 LYS HD2 H 1.756 0.000 . 1259 144 LYS CE C 42.390 0.000 . 1260 144 LYS HE2 H 3.071 0.000 . 1261 145 GLU N N 126.217 0.000 . 1262 145 GLU H H 8.848 0.001 . 1263 145 GLU CA C 57.082 0.000 . 1264 145 GLU HA H 4.655 0.004 . 1265 145 GLU CB C 30.687 0.000 . 1266 145 GLU HB2 H 1.936 0.001 . 1267 145 GLU CG C 37.466 0.000 . 1268 145 GLU HG2 H 2.341 0.004 . 1269 146 GLN N N 124.108 0.000 . 1270 146 GLN H H 9.181 0.007 . 1271 146 GLN CA C 52.615 0.000 . 1272 146 GLN HA H 5.136 0.004 . 1273 146 GLN CB C 30.474 0.000 . 1274 146 GLN HB2 H 1.890 0.000 . 1275 146 GLN HB3 H 2.218 0.000 . 1276 146 GLN CG C 32.813 0.039 . 1277 146 GLN HG2 H 2.335 0.000 . 1278 146 GLN HG3 H 2.378 0.000 . 1279 146 GLN NE2 N 112.627 0.000 . 1280 146 GLN HE21 H 6.937 0.000 . 1281 146 GLN HE22 H 7.670 0.000 . 1282 147 PRO CD C 50.679 0.000 . 1283 147 PRO CA C 63.297 0.000 . 1284 147 PRO HA H 4.490 0.000 . 1285 147 PRO CB C 32.028 0.000 . 1286 147 PRO HB2 H 1.899 0.001 . 1287 147 PRO HB3 H 2.438 0.000 . 1288 147 PRO CG C 28.046 0.000 . 1289 147 PRO HG2 H 2.035 0.000 . 1290 147 PRO HG3 H 2.216 0.000 . 1291 147 PRO HD2 H 3.739 0.001 . 1292 147 PRO HD3 H 3.886 0.001 . 1293 148 LEU N N 125.446 0.000 . 1294 148 LEU H H 7.818 0.006 . 1295 148 LEU CA C 55.129 0.000 . 1296 148 LEU HA H 4.210 0.000 . 1297 148 LEU CB C 41.567 0.000 . 1298 148 LEU HB2 H 1.011 0.003 . 1299 148 LEU HB3 H 1.535 0.002 . 1300 148 LEU CG C 27.561 0.000 . 1301 148 LEU HG H 1.350 0.001 . 1302 148 LEU HD1 H 0.670 0.000 . 1303 148 LEU HD2 H 0.692 0.001 . 1304 148 LEU CD1 C 24.662 0.000 . 1305 148 LEU CD2 C 25.230 0.000 . 1306 149 ASP N N 125.542 0.000 . 1307 149 ASP H H 7.173 0.004 . 1308 149 ASP HA H 4.732 0.012 . 1309 149 ASP CB C 42.525 0.000 . 1310 149 ASP HB2 H 2.657 0.000 . 1311 149 ASP HB3 H 3.190 0.000 . 1312 150 GLU N N 118.217 0.000 . 1313 150 GLU H H 8.554 0.005 . 1314 150 GLU CA C 60.189 0.000 . 1315 150 GLU HA H 3.885 0.004 . 1316 150 GLU CB C 29.490 0.000 . 1317 150 GLU HB2 H 2.014 0.000 . 1318 150 GLU HB3 H 2.095 0.001 . 1319 150 GLU CG C 36.689 0.000 . 1320 150 GLU HG2 H 2.378 0.003 . 1321 151 GLU N N 120.048 0.000 . 1322 151 GLU H H 8.173 0.005 . 1323 151 GLU CA C 59.788 0.000 . 1324 151 GLU HA H 4.144 0.000 . 1325 151 GLU CB C 29.114 0.000 . 1326 151 GLU HB2 H 2.095 0.000 . 1327 151 GLU HB3 H 2.183 0.000 . 1328 151 GLU CG C 36.829 0.000 . 1329 151 GLU HG2 H 2.257 0.000 . 1330 152 LEU N N 123.807 0.000 . 1331 152 LEU H H 8.494 0.004 . 1332 152 LEU CA C 56.888 0.000 . 1333 152 LEU HA H 4.401 0.002 . 1334 152 LEU CB C 42.127 0.000 . 1335 152 LEU HB2 H 1.456 0.005 . 1336 152 LEU HB3 H 2.001 0.003 . 1337 152 LEU CG C 28.232 0.000 . 1338 152 LEU HG H 2.003 0.003 . 1339 152 LEU HD1 H 1.081 0.000 . 1340 152 LEU HD2 H 0.963 0.000 . 1341 152 LEU CD1 C 26.007 0.000 . 1342 152 LEU CD2 C 22.511 0.000 . 1343 153 LYS N N 121.783 0.000 . 1344 153 LYS H H 8.471 0.004 . 1345 153 LYS CA C 61.161 0.000 . 1346 153 LYS HA H 3.818 0.000 . 1347 153 LYS CB C 31.833 0.000 . 1348 153 LYS HB2 H 1.866 0.000 . 1349 153 LYS CG C 27.240 0.000 . 1350 153 LYS HG2 H 1.022 0.000 . 1351 153 LYS CD C 29.530 0.008 . 1352 153 LYS HD2 H 1.548 0.000 . 1353 153 LYS HD3 H 1.580 0.000 . 1354 153 LYS CE C 41.933 0.000 . 1355 153 LYS HE2 H 2.738 0.000 . 1356 153 LYS HE3 H 2.769 0.000 . 1357 154 ASP N N 121.880 0.000 . 1358 154 ASP H H 8.209 0.000 . 1359 154 ASP CA C 57.565 0.000 . 1360 154 ASP HA H 4.440 0.003 . 1361 154 ASP CB C 40.379 0.000 . 1362 154 ASP HB2 H 2.663 0.004 . 1363 154 ASP HB3 H 2.845 0.005 . 1364 155 ALA N N 124.289 0.000 . 1365 155 ALA H H 8.009 0.007 . 1366 155 ALA CA C 55.320 0.000 . 1367 155 ALA HA H 4.177 0.005 . 1368 155 ALA HB H 1.909 0.001 . 1369 155 ALA CB C 18.238 0.000 . 1370 156 PHE N N 122.265 0.000 . 1371 156 PHE H H 8.403 0.001 . 1372 156 PHE CA C 59.995 0.000 . 1373 156 PHE HA H 2.599 0.001 . 1374 156 PHE CB C 37.905 0.000 . 1375 156 PHE HB2 H 2.718 0.001 . 1376 156 PHE HB3 H 3.392 0.001 . 1377 156 PHE HD1 H 6.789 0.000 . 1378 156 PHE HE1 H 6.865 0.000 . 1379 156 PHE CD1 C 132.137 0.000 . 1380 156 PHE CE1 C 130.739 0.000 . 1381 156 PHE CZ C 128.875 0.000 . 1382 156 PHE HZ H 6.626 0.001 . 1383 157 GLN N N 121.591 0.000 . 1384 157 GLN H H 8.182 0.009 . 1385 157 GLN CA C 58.636 0.000 . 1386 157 GLN HA H 3.771 0.000 . 1387 157 GLN CB C 27.949 0.000 . 1388 157 GLN HB2 H 2.159 0.000 . 1389 157 GLN HB3 H 2.267 0.002 . 1390 157 GLN CG C 33.290 0.000 . 1391 157 GLN HG2 H 2.453 0.000 . 1392 157 GLN HG3 H 2.562 0.000 . 1393 157 GLN NE2 N 110.314 0.000 . 1394 157 GLN HE21 H 6.850 0.000 . 1395 157 GLN HE22 H 7.201 0.000 . 1396 158 ASN N N 117.350 0.000 . 1397 158 ASN H H 8.211 0.004 . 1398 158 ASN CA C 56.111 0.000 . 1399 158 ASN HA H 4.285 0.000 . 1400 158 ASN CB C 38.049 0.000 . 1401 158 ASN HB2 H 2.671 0.005 . 1402 158 ASN ND2 N 113.783 0.000 . 1403 158 ASN HD21 H 6.842 0.000 . 1404 158 ASN HD22 H 7.458 0.000 . 1405 159 ALA N N 124.289 0.000 . 1406 159 ALA H H 7.555 0.005 . 1407 159 ALA CA C 54.946 0.000 . 1408 159 ALA HA H 3.755 0.000 . 1409 159 ALA HB H 0.142 0.003 . 1410 159 ALA CB C 16.172 0.000 . 1411 160 TYR N N 118.506 0.000 . 1412 160 TYR H H 8.169 0.002 . 1413 160 TYR CA C 58.636 0.000 . 1414 160 TYR HA H 4.011 0.001 . 1415 160 TYR CB C 37.272 0.000 . 1416 160 TYR HB2 H 2.372 0.001 . 1417 160 TYR HB3 H 2.767 0.005 . 1418 160 TYR HD1 H 6.958 0.000 . 1419 160 TYR HE1 H 6.868 0.000 . 1420 160 TYR CD1 C 131.904 0.000 . 1421 160 TYR CE1 C 118.388 0.000 . 1422 161 LEU N N 120.819 0.000 . 1423 161 LEU H H 8.206 0.006 . 1424 161 LEU CA C 57.470 0.000 . 1425 161 LEU HA H 3.767 0.000 . 1426 161 LEU CB C 41.544 0.000 . 1427 161 LEU HB2 H 1.374 0.000 . 1428 161 LEU HB3 H 1.740 0.001 . 1429 161 LEU CG C 26.784 0.000 . 1430 161 LEU HG H 1.638 0.001 . 1431 161 LEU HD1 H 0.802 0.000 . 1432 161 LEU HD2 H 0.707 0.000 . 1433 161 LEU CD1 C 25.089 0.000 . 1434 161 LEU CD2 C 22.981 0.000 . 1435 162 GLU N N 122.940 0.000 . 1436 162 GLU H H 8.009 0.006 . 1437 162 GLU CA C 59.487 0.000 . 1438 162 GLU HA H 3.879 0.002 . 1439 162 GLU CB C 29.114 0.000 . 1440 162 GLU HB2 H 1.843 0.001 . 1441 162 GLU HB3 H 2.055 0.001 . 1442 162 GLU CG C 35.607 0.000 . 1443 162 GLU HG2 H 1.953 0.000 . 1444 162 GLU HG3 H 2.066 0.000 . 1445 163 LEU N N 118.410 0.000 . 1446 163 LEU H H 8.174 0.003 . 1447 163 LEU CA C 57.470 0.000 . 1448 163 LEU HA H 3.885 0.001 . 1449 163 LEU CB C 41.350 0.000 . 1450 163 LEU HB2 H 1.315 0.000 . 1451 163 LEU HB3 H 1.743 0.001 . 1452 163 LEU CG C 26.590 0.000 . 1453 163 LEU HG H 1.909 0.000 . 1454 163 LEU HD1 H 0.751 0.001 . 1455 163 LEU HD2 H 0.502 0.002 . 1456 163 LEU CD1 C 24.259 0.000 . 1457 163 LEU CD2 C 22.123 0.000 . 1458 164 GLY N N 106.651 0.000 . 1459 164 GLY H H 8.406 0.000 . 1460 164 GLY HA3 H 4.827 0.000 . 1461 165 GLY N N 112.434 0.000 . 1462 165 GLY H H 8.144 0.009 . 1463 165 GLY CA C 46.458 0.000 . 1464 165 GLY HA2 H 3.878 0.003 . 1465 165 GLY HA3 H 4.182 0.004 . 1466 166 LEU N N 120.530 0.000 . 1467 166 LEU H H 7.333 0.000 . 1468 166 LEU CA C 55.157 0.000 . 1469 166 LEU HA H 4.365 0.000 . 1470 166 LEU CB C 42.321 0.000 . 1471 166 LEU HB2 H 1.687 0.002 . 1472 166 LEU HB3 H 1.943 0.005 . 1473 166 LEU CG C 26.007 0.000 . 1474 166 LEU HG H 1.857 0.001 . 1475 166 LEU HD1 H 0.635 0.003 . 1476 166 LEU HD2 H 0.826 0.000 . 1477 166 LEU CD1 C 25.326 0.000 . 1478 166 LEU CD2 C 21.928 0.000 . 1479 167 GLY N N 107.712 0.000 . 1480 167 GLY H H 8.126 0.004 . 1481 167 GLY CA C 45.040 0.000 . 1482 167 GLY HA2 H 3.817 0.004 . 1483 167 GLY HA3 H 4.249 0.003 . 1484 169 ARG CA C 54.946 0.000 . 1485 169 ARG HA H 4.575 0.000 . 1486 169 ARG CB C 30.862 0.000 . 1487 169 ARG HB2 H 1.810 0.000 . 1488 169 ARG CG C 27.172 0.000 . 1489 169 ARG HG2 H 1.595 0.000 . 1490 169 ARG HG3 H 1.708 0.000 . 1491 169 ARG CD C 42.904 0.000 . 1492 169 ARG HD2 H 3.126 0.000 . 1493 169 ARG HD3 H 3.237 0.000 . 1494 170 VAL N N 126.313 0.000 . 1495 170 VAL H H 8.937 0.001 . 1496 170 VAL CA C 62.371 0.000 . 1497 170 VAL HA H 4.531 0.000 . 1498 170 VAL CB C 33.776 0.000 . 1499 170 VAL HB H 2.209 0.000 . 1500 170 VAL HG1 H 1.037 0.002 . 1501 170 VAL HG2 H 1.038 0.000 . 1502 170 VAL CG1 C 24.991 0.000 . 1503 170 VAL CG2 C 21.734 0.000 . 1504 171 LEU N N 126.699 0.000 . 1505 171 LEU H H 8.960 0.012 . 1506 171 LEU CA C 53.586 0.000 . 1507 171 LEU HA H 4.878 0.004 . 1508 171 LEU CB C 47.565 0.000 . 1509 171 LEU HB2 H 1.172 0.000 . 1510 171 LEU HB3 H 1.864 0.004 . 1511 171 LEU CG C 27.786 0.000 . 1512 171 LEU HG H 1.580 0.001 . 1513 171 LEU HD1 H 0.853 0.000 . 1514 171 LEU HD2 H 0.810 0.000 . 1515 171 LEU CD1 C 26.490 0.000 . 1516 171 LEU CD2 C 23.676 0.000 . 1517 172 GLY N N 105.591 0.000 . 1518 172 GLY H H 8.992 0.007 . 1519 172 GLY CA C 44.264 0.000 . 1520 172 GLY HA2 H 3.271 0.003 . 1521 172 GLY HA3 H 5.490 0.003 . 1522 173 PHE N N 117.832 0.000 . 1523 173 PHE H H 8.222 0.001 . 1524 173 PHE CA C 57.634 0.000 . 1525 173 PHE HA H 5.184 0.001 . 1526 173 PHE CB C 41.639 0.000 . 1527 173 PHE HB2 H 2.689 0.000 . 1528 173 PHE HB3 H 2.739 0.001 . 1529 173 PHE HD1 H 7.307 0.000 . 1530 173 PHE HE1 H 7.220 0.000 . 1531 173 PHE CD1 C 131.671 0.000 . 1532 173 PHE CZ C 128.409 0.000 . 1533 173 PHE HZ H 7.044 0.000 . 1534 174 CYS N N 121.012 0.000 . 1535 174 CYS H H 9.587 0.004 . 1536 174 CYS CA C 55.917 0.000 . 1537 174 CYS HA H 5.014 0.000 . 1538 174 CYS CB C 34.046 0.000 . 1539 174 CYS HB2 H 2.466 0.002 . 1540 174 CYS HB3 H 3.081 0.005 . 1541 175 HIS N N 115.904 0.000 . 1542 175 HIS H H 8.972 0.001 . 1543 175 HIS CA C 53.195 0.000 . 1544 175 HIS HA H 5.452 0.003 . 1545 175 HIS CB C 35.912 0.000 . 1546 175 HIS HB2 H 3.036 0.000 . 1547 175 HIS HB3 H 3.602 0.001 . 1548 175 HIS CD2 C 113.727 0.000 . 1549 175 HIS HD1 H 11.746 0.000 . 1550 175 HIS CE1 C 137.265 0.000 . 1551 175 HIS HD2 H 6.768 0.003 . 1552 175 HIS HE1 H 7.469 0.000 . 1553 176 LEU N N 118.603 0.000 . 1554 176 LEU H H 9.077 0.001 . 1555 176 LEU CA C 56.111 0.000 . 1556 176 LEU HA H 4.545 0.005 . 1557 176 LEU CB C 47.253 0.000 . 1558 176 LEU HB2 H 1.621 0.000 . 1559 176 LEU HB3 H 1.721 0.000 . 1560 176 LEU CG C 27.366 0.000 . 1561 176 LEU HG H 1.294 0.001 . 1562 176 LEU HD1 H 1.125 0.000 . 1563 176 LEU HD2 H 0.890 0.001 . 1564 176 LEU CD1 C 23.288 0.000 . 1565 176 LEU CD2 C 26.590 0.000 . 1566 177 LEU N N 130.843 0.000 . 1567 177 LEU H H 8.731 0.007 . 1568 177 LEU CA C 53.780 0.000 . 1569 177 LEU HA H 4.438 0.002 . 1570 177 LEU CB C 38.825 0.000 . 1571 177 LEU HB2 H 1.164 0.000 . 1572 177 LEU HB3 H 1.809 0.000 . 1573 177 LEU CG C 27.561 0.000 . 1574 177 LEU HG H 1.440 0.002 . 1575 177 LEU HD1 H 0.672 0.000 . 1576 177 LEU HD2 H 0.612 0.000 . 1577 177 LEU CD1 C 24.926 0.000 . 1578 177 LEU CD2 C 24.065 0.000 . 1579 178 LEU N N 128.337 0.000 . 1580 178 LEU H H 7.603 0.001 . 1581 178 LEU CA C 53.677 0.000 . 1582 178 LEU HA H 4.146 0.004 . 1583 178 LEU CB C 39.991 0.000 . 1584 178 LEU HB2 H 1.211 0.000 . 1585 178 LEU HB3 H 1.657 0.000 . 1586 178 LEU CG C 27.259 0.000 . 1587 178 LEU HG H 1.353 0.000 . 1588 178 LEU HD1 H 0.277 0.000 . 1589 178 LEU HD2 H 0.340 0.000 . 1590 178 LEU CD1 C 26.269 0.000 . 1591 178 LEU CD2 C 24.259 0.000 . 1592 179 PRO CD C 50.560 0.000 . 1593 179 PRO CA C 63.522 0.000 . 1594 179 PRO HA H 4.445 0.001 . 1595 179 PRO CB C 32.222 0.000 . 1596 179 PRO HB2 H 2.083 0.000 . 1597 179 PRO HB3 H 2.504 0.000 . 1598 179 PRO CG C 28.532 0.000 . 1599 179 PRO HG2 H 2.231 0.000 . 1600 179 PRO HG3 H 2.365 0.000 . 1601 179 PRO HD2 H 3.729 0.000 . 1602 179 PRO HD3 H 4.172 0.000 . 1603 180 ASP N N 126.974 0.000 . 1604 180 ASP H H 8.876 0.006 . 1605 180 ASP CA C 57.564 0.000 . 1606 180 ASP HA H 4.497 0.004 . 1607 180 ASP CB C 40.962 0.000 . 1608 180 ASP HB2 H 2.523 0.005 . 1609 180 ASP HB3 H 2.730 0.004 . 1610 181 GLU N N 116.964 0.000 . 1611 181 GLU H H 9.098 0.009 . 1612 181 GLU CA C 59.218 0.000 . 1613 181 GLU HA H 3.929 0.003 . 1614 181 GLU CB C 29.114 0.000 . 1615 181 GLU HB2 H 1.930 0.001 . 1616 181 GLU HB3 H 2.023 0.000 . 1617 181 GLU CG C 36.724 0.000 . 1618 181 GLU HG2 H 2.304 0.003 . 1619 182 GLN N N 115.036 0.000 . 1620 182 GLN H H 6.693 0.007 . 1621 182 GLN CA C 56.305 0.000 . 1622 182 GLN HA H 4.012 0.004 . 1623 182 GLN CB C 31.445 0.000 . 1624 182 GLN HB2 H 1.405 0.004 . 1625 182 GLN HB3 H 1.676 0.004 . 1626 182 GLN CG C 34.745 0.000 . 1627 182 GLN HG2 H 2.079 0.000 . 1628 182 GLN HG3 H 2.116 0.002 . 1629 182 GLN NE2 N 112.434 0.000 . 1630 182 GLN HE21 H 6.776 0.000 . 1631 182 GLN HE22 H 7.473 0.000 . 1632 183 PHE N N 118.121 0.000 . 1633 183 PHE H H 7.540 0.004 . 1634 183 PHE CA C 55.136 0.003 . 1635 183 PHE HA H 4.209 0.004 . 1636 183 PHE CB C 38.822 0.003 . 1637 183 PHE HB2 H 2.190 0.000 . 1638 183 PHE HB3 H 2.866 0.002 . 1639 183 PHE HE1 H 7.211 0.000 . 1640 183 PHE CE1 C 130.506 0.000 . 1641 183 PHE CZ C 129.341 0.000 . 1642 183 PHE HZ H 7.321 0.000 . 1643 184 PRO CD C 50.695 0.000 . 1644 184 PRO CA C 62.030 0.000 . 1645 184 PRO HA H 4.641 0.000 . 1646 184 PRO CB C 32.610 0.000 . 1647 184 PRO HB2 H 2.041 0.000 . 1648 184 PRO HB3 H 2.392 0.000 . 1649 184 PRO CG C 27.172 0.000 . 1650 184 PRO HG2 H 1.900 0.000 . 1651 184 PRO HG3 H 1.967 0.000 . 1652 184 PRO HD2 H 3.101 0.000 . 1653 184 PRO HD3 H 3.529 0.001 . 1654 185 GLU N N 120.074 0.000 . 1655 185 GLU H H 8.381 0.000 . 1656 185 GLU CA C 59.024 0.000 . 1657 185 GLU HA H 4.187 0.004 . 1658 185 GLU CB C 29.840 0.000 . 1659 185 GLU HB2 H 1.987 0.001 . 1660 185 GLU HB3 H 2.020 0.000 . 1661 185 GLU CG C 36.883 0.000 . 1662 185 GLU HG2 H 2.246 0.002 . 1663 185 GLU HG3 H 2.327 0.001 . 1664 186 GLY N N 107.615 0.000 . 1665 186 GLY H H 7.661 0.000 . 1666 186 GLY CA C 44.797 0.000 . 1667 186 GLY HA2 H 3.693 0.000 . 1668 186 GLY HA3 H 4.300 0.000 . 1669 187 PHE N N 124.274 0.000 . 1670 187 PHE H H 8.248 0.010 . 1671 187 PHE CA C 59.805 0.000 . 1672 187 PHE HA H 3.804 0.005 . 1673 187 PHE CB C 39.020 0.000 . 1674 187 PHE HB2 H 2.125 0.006 . 1675 187 PHE HB3 H 3.307 0.000 . 1676 188 GLN N N 127.374 0.000 . 1677 188 GLN H H 7.480 0.000 . 1678 188 GLN CA C 53.851 0.000 . 1679 188 GLN HA H 4.354 0.006 . 1680 188 GLN CB C 27.573 0.000 . 1681 188 GLN HB2 H 1.645 0.002 . 1682 188 GLN HB3 H 1.773 0.000 . 1683 188 GLN CG C 33.581 0.000 . 1684 188 GLN HG2 H 2.187 0.005 . 1685 188 GLN NE2 N 113.398 0.000 . 1686 188 GLN HE21 H 6.785 0.000 . 1687 188 GLN HE22 H 7.438 0.000 . 1688 189 PHE N N 127.230 0.000 . 1689 189 PHE H H 8.193 0.004 . 1690 189 PHE CA C 59.878 0.000 . 1691 189 PHE HA H 4.652 0.003 . 1692 189 PHE CB C 40.806 0.000 . 1693 189 PHE HB2 H 2.718 0.000 . 1694 189 PHE HB3 H 2.806 0.001 . 1695 189 PHE HD1 H 7.232 0.002 . 1696 189 PHE HE1 H 6.618 0.003 . 1697 189 PHE CD1 C 132.137 0.000 . 1698 189 PHE CE1 C 131.904 0.000 . 1699 189 PHE CZ C 128.642 0.000 . 1700 189 PHE HZ H 5.850 0.000 . 1701 190 ASP N N 126.603 0.000 . 1702 190 ASP H H 9.608 0.008 . 1703 190 ASP CA C 53.092 0.000 . 1704 190 ASP HA H 4.994 0.000 . 1705 190 ASP CB C 43.875 0.000 . 1706 190 ASP HB2 H 2.371 0.002 . 1707 190 ASP HB3 H 2.984 0.001 . 1708 191 THR N N 112.723 0.000 . 1709 191 THR H H 8.579 0.000 . 1710 191 THR CA C 62.520 0.000 . 1711 191 THR HA H 4.296 0.001 . 1712 191 THR CB C 68.340 0.000 . 1713 191 THR HB H 4.582 0.004 . 1714 191 THR HG2 H 1.211 0.003 . 1715 191 THR CG2 C 22.151 0.000 . 1716 192 ASP N N 124.244 0.000 . 1717 192 ASP H H 8.704 0.000 . 1718 192 ASP CA C 56.437 0.000 . 1719 192 ASP HA H 4.741 0.000 . 1720 192 ASP CB C 41.635 0.000 . 1721 192 ASP HB2 H 2.742 0.000 . 1722 192 ASP HB3 H 2.832 0.000 . 1723 193 GLU N N 122.554 0.000 . 1724 193 GLU H H 7.858 0.000 . 1725 193 GLU CA C 55.334 0.000 . 1726 193 GLU HA H 4.220 0.004 . 1727 193 GLU CB C 29.309 0.000 . 1728 193 GLU HB2 H 1.722 0.003 . 1729 193 GLU HB3 H 1.857 0.000 . 1730 193 GLU CG C 36.113 0.000 . 1731 193 GLU HG2 H 2.092 0.000 . 1732 193 GLU HG3 H 2.141 0.000 . 1733 194 VAL N N 119.952 0.000 . 1734 194 VAL H H 7.487 0.000 . 1735 194 VAL CA C 64.685 0.000 . 1736 194 VAL HA H 3.604 0.004 . 1737 194 VAL CB C 30.086 0.000 . 1738 194 VAL HB H 1.839 0.003 . 1739 194 VAL HG1 H 0.216 0.001 . 1740 194 VAL HG2 H 0.693 0.002 . 1741 194 VAL CG1 C 21.654 0.000 . 1742 194 VAL CG2 C 21.540 0.000 . 1743 195 ASN N N 126.024 0.000 . 1744 195 ASN H H 7.928 0.005 . 1745 195 ASN CA C 51.481 0.000 . 1746 195 ASN HA H 4.935 0.003 . 1747 195 ASN CB C 36.883 0.000 . 1748 195 ASN HB2 H 2.874 0.000 . 1749 195 ASN HB3 H 3.455 0.000 . 1750 196 PHE N N 114.844 0.000 . 1751 196 PHE H H 6.810 0.000 . 1752 196 PHE CA C 53.443 0.000 . 1753 196 PHE HA H 5.234 0.002 . 1754 196 PHE CB C 38.221 0.000 . 1755 196 PHE HB2 H 2.722 0.000 . 1756 196 PHE HB3 H 3.000 0.001 . 1757 196 PHE HD1 H 7.360 0.000 . 1758 196 PHE HE1 H 7.044 0.000 . 1759 196 PHE CD1 C 134.235 0.000 . 1760 196 PHE CE1 C 130.739 0.000 . 1761 196 PHE CZ C 128.176 0.000 . 1762 196 PHE HZ H 6.913 0.000 . 1763 197 PRO CD C 51.061 0.000 . 1764 197 PRO CA C 63.464 0.000 . 1765 197 PRO HA H 4.325 0.000 . 1766 197 PRO CB C 32.874 0.000 . 1767 197 PRO HB2 H 1.880 0.000 . 1768 197 PRO HB3 H 2.427 0.000 . 1769 197 PRO CG C 28.103 0.000 . 1770 197 PRO HG2 H 1.993 0.000 . 1771 197 PRO HG3 H 2.037 0.000 . 1772 197 PRO HD2 H 3.317 0.001 . 1773 197 PRO HD3 H 3.892 0.000 . 1774 198 VAL N N 110.429 0.000 . 1775 198 VAL H H 7.830 0.000 . 1776 198 VAL CA C 59.801 0.000 . 1777 198 VAL HA H 4.261 0.000 . 1778 198 VAL CB C 31.833 0.000 . 1779 198 VAL HB H 2.088 0.005 . 1780 198 VAL HG1 H 0.675 0.001 . 1781 198 VAL HG2 H 0.620 0.001 . 1782 198 VAL CG1 C 22.705 0.000 . 1783 198 VAL CG2 C 18.432 0.000 . 1784 199 ASP N N 118.603 0.000 . 1785 199 ASP H H 7.422 0.000 . 1786 199 ASP CA C 52.227 0.000 . 1787 199 ASP HA H 4.988 0.004 . 1788 199 ASP CB C 43.487 0.000 . 1789 199 ASP HB2 H 2.591 0.000 . 1790 200 ASN N N 114.458 0.000 . 1791 200 ASN H H 8.346 0.000 . 1792 200 ASN CA C 54.958 0.000 . 1793 200 ASN HA H 4.232 0.005 . 1794 200 ASN CB C 36.883 0.000 . 1795 200 ASN HB2 H 2.913 0.000 . 1796 200 ASN HB3 H 3.063 0.003 . 1797 200 ASN ND2 N 115.422 0.000 . 1798 200 ASN HD21 H 6.828 0.000 . 1799 200 ASN HD22 H 7.441 0.000 . 1800 201 LEU N N 117.061 0.000 . 1801 201 LEU H H 9.172 0.003 . 1802 201 LEU CA C 54.363 0.000 . 1803 201 LEU HA H 4.414 0.000 . 1804 201 LEU CB C 41.540 0.000 . 1805 201 LEU HB2 H 1.108 0.004 . 1806 201 LEU HB3 H 2.153 0.002 . 1807 201 LEU CG C 27.561 0.000 . 1808 201 LEU HG H 1.366 0.004 . 1809 201 LEU HD1 H 0.575 0.000 . 1810 201 LEU HD2 H 0.567 0.003 . 1811 201 LEU CD1 C 27.755 0.000 . 1812 201 LEU CD2 C 24.842 0.000 . 1813 202 CYS N N 119.567 0.000 . 1814 202 CYS H H 8.472 0.005 . 1815 202 CYS CA C 57.082 0.000 . 1816 202 CYS HA H 5.041 0.006 . 1817 202 CYS CB C 27.949 0.000 . 1818 202 CYS HB2 H 2.559 0.004 . 1819 202 CYS HB3 H 3.133 0.005 . 1820 203 PHE N N 131.783 0.000 . 1821 203 PHE H H 9.680 0.004 . 1822 203 PHE CA C 61.355 0.000 . 1823 203 PHE HA H 4.082 0.003 . 1824 203 PHE CB C 38.707 0.000 . 1825 203 PHE HB2 H 2.969 0.007 . 1826 203 PHE HB3 H 3.441 0.003 . 1827 203 PHE HD1 H 7.247 0.001 . 1828 203 PHE HE1 H 7.413 0.000 . 1829 203 PHE CD1 C 131.671 0.000 . 1830 203 PHE CE1 C 130.506 0.000 . 1831 203 PHE CZ C 129.574 0.000 . 1832 203 PHE HZ H 7.504 0.000 . 1833 204 VAL N N 126.024 0.000 . 1834 204 VAL H H 7.708 0.002 . 1835 204 VAL CA C 64.554 0.000 . 1836 204 VAL HA H 4.213 0.001 . 1837 204 VAL CB C 33.444 0.000 . 1838 204 VAL HB H 1.111 0.005 . 1839 204 VAL HG1 H 0.532 0.000 . 1840 204 VAL HG2 H 0.231 0.000 . 1841 204 VAL CG1 C 22.899 0.000 . 1842 204 VAL CG2 C 21.151 0.000 . 1843 205 GLY N N 101.928 0.000 . 1844 205 GLY H H 6.874 0.004 . 1845 205 GLY CA C 47.759 0.000 . 1846 205 GLY HA2 H 4.221 0.003 . 1847 205 GLY HA3 H 4.832 0.010 . 1848 206 LEU N N 117.027 0.000 . 1849 206 LEU H H 9.713 0.001 . 1850 206 LEU CA C 53.003 0.000 . 1851 206 LEU HA H 6.239 0.000 . 1852 206 LEU CB C 45.040 0.000 . 1853 206 LEU HB2 H 1.556 0.001 . 1854 206 LEU HB3 H 2.180 0.001 . 1855 206 LEU CG C 27.172 0.000 . 1856 206 LEU HG H 2.491 0.000 . 1857 206 LEU HD1 H 0.517 0.000 . 1858 206 LEU HD2 H 1.205 0.000 . 1859 206 LEU CD1 C 24.259 0.000 . 1860 206 LEU CD2 C 24.065 0.000 . 1861 207 ILE N N 119.374 0.000 . 1862 207 ILE H H 9.011 0.005 . 1863 207 ILE CA C 62.909 0.000 . 1864 207 ILE HA H 4.895 0.005 . 1865 207 ILE CB C 41.156 0.000 . 1866 207 ILE HB H 1.834 0.000 . 1867 207 ILE HG2 H 1.110 0.000 . 1868 207 ILE CG2 C 19.435 0.000 . 1869 207 ILE CG1 C 28.143 0.000 . 1870 207 ILE HG12 H 1.014 0.000 . 1871 207 ILE HG13 H 1.416 0.000 . 1872 207 ILE HD1 H 0.016 0.003 . 1873 207 ILE CD1 C 11.246 0.000 . 1874 208 SER N N 125.058 0.000 . 1875 208 SER H H 9.846 0.000 . 1876 208 SER CA C 56.339 0.000 . 1877 208 SER HA H 6.245 0.006 . 1878 208 SER CB C 68.735 0.000 . 1879 208 SER HB2 H 3.689 0.001 . 1880 208 SER HB3 H 4.103 0.000 . 1881 209 MET N N 120.723 0.000 . 1882 209 MET H H 9.258 0.002 . 1883 209 MET CA C 54.625 0.000 . 1884 209 MET HA H 5.366 0.002 . 1885 209 MET CB C 37.831 0.000 . 1886 209 MET HB2 H 1.811 0.000 . 1887 209 MET HB3 H 2.000 0.001 . 1888 209 MET CG C 32.581 0.000 . 1889 209 MET HG2 H 2.401 0.001 . 1890 209 MET HG3 H 2.498 0.001 . 1891 209 MET HE H 2.009 0.000 . 1892 209 MET CE C 17.267 0.000 . 1893 210 ILE N N 119.759 0.000 . 1894 210 ILE H H 8.877 0.011 . 1895 210 ILE CA C 60.621 0.000 . 1896 210 ILE HA H 4.498 0.000 . 1897 210 ILE CB C 40.962 0.000 . 1898 210 ILE HB H 1.813 0.002 . 1899 210 ILE HG2 H 0.930 0.000 . 1900 210 ILE CG2 C 17.890 0.000 . 1901 210 ILE CG1 C 27.561 0.000 . 1902 210 ILE HG12 H 1.203 0.005 . 1903 210 ILE HG13 H 1.521 0.000 . 1904 210 ILE HD1 H 0.890 0.001 . 1905 210 ILE CD1 C 13.630 0.000 . 1906 211 ASP N N 125.735 0.000 . 1907 211 ASP H H 8.537 0.008 . 1908 211 ASP CA C 51.450 0.000 . 1909 211 ASP HA H 5.125 0.003 . 1910 211 ASP CB C 41.437 0.000 . 1911 211 ASP HB2 H 2.435 0.002 . 1912 211 ASP HB3 H 2.796 0.004 . 1913 212 PRO CD C 50.673 0.000 . 1914 212 PRO CA C 61.549 0.000 . 1915 212 PRO HA H 4.634 0.000 . 1916 212 PRO CB C 31.057 0.000 . 1917 212 PRO HB2 H 1.963 0.000 . 1918 212 PRO HB3 H 2.278 0.000 . 1919 212 PRO CG C 27.561 0.000 . 1920 212 PRO HG2 H 1.906 0.000 . 1921 212 PRO HG3 H 2.039 0.000 . 1922 212 PRO HD2 H 3.696 0.001 . 1923 212 PRO HD3 H 3.849 0.000 . 1924 213 PRO CD C 50.284 0.000 . 1925 213 PRO CA C 64.462 0.000 . 1926 213 PRO HA H 4.261 0.000 . 1927 213 PRO CB C 32.028 0.000 . 1928 213 PRO HB2 H 1.911 0.000 . 1929 213 PRO HB3 H 2.225 0.000 . 1930 213 PRO CG C 27.172 0.000 . 1931 213 PRO HG2 H 2.009 0.000 . 1932 213 PRO HD2 H 3.649 0.000 . 1933 213 PRO HD3 H 3.810 0.000 . stop_ save_