data_25975 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure and Dynamics of the Geobacillus stearothermophilus IF2 G3-subdomain ; _BMRB_accession_number 25975 _BMRB_flat_file_name bmr25975.str _Entry_type original _Submission_date 2016-02-11 _Accession_date 2016-02-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dongre Ramachandra . . 2 Folkers Gert E. . 3 Gualerzi Claudio O. . 4 Boelens Rolf . . 5 Wienk Hans . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 537 "13C chemical shifts" 402 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-13 update BMRB 'update entry citation' 2016-07-18 original author 'original release' stop_ _Original_release_date 2016-07-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A model for the interaction of the G3-subdomain of Geobacillus stearothermophilus IF2 with the 30S ribosomal subunit ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27364543 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dongre Ramachandra . . 2 Folkers Gert E. . 3 Gualerzi Claudio O. . 4 Boelens Rolf . . 5 Wienk Hans . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 25 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1722 _Page_last 1733 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Geobacillus stearothermophilus IF2 G3-subdomain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13649.863 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; GSHMLDHLLEMILLVSEMEE LKANPNRRAVGTVIEAKLDK GRGPVATLLVQAGTLKVGDP IVVGTTYGRVRAMVNDSGRR VKEAGPSMPVEITGLHDVPQ AGDRFMVFEDEKKARQIGEA RAQRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 390 GLY 2 391 SER 3 392 HIS 4 393 MET 5 394 LEU 6 395 ASP 7 396 HIS 8 397 LEU 9 398 LEU 10 399 GLU 11 400 MET 12 401 ILE 13 402 LEU 14 403 LEU 15 404 VAL 16 405 SER 17 406 GLU 18 407 MET 19 408 GLU 20 409 GLU 21 410 LEU 22 411 LYS 23 412 ALA 24 413 ASN 25 414 PRO 26 415 ASN 27 416 ARG 28 417 ARG 29 418 ALA 30 419 VAL 31 420 GLY 32 421 THR 33 422 VAL 34 423 ILE 35 424 GLU 36 425 ALA 37 426 LYS 38 427 LEU 39 428 ASP 40 429 LYS 41 430 GLY 42 431 ARG 43 432 GLY 44 433 PRO 45 434 VAL 46 435 ALA 47 436 THR 48 437 LEU 49 438 LEU 50 439 VAL 51 440 GLN 52 441 ALA 53 442 GLY 54 443 THR 55 444 LEU 56 445 LYS 57 446 VAL 58 447 GLY 59 448 ASP 60 449 PRO 61 450 ILE 62 451 VAL 63 452 VAL 64 453 GLY 65 454 THR 66 455 THR 67 456 TYR 68 457 GLY 69 458 ARG 70 459 VAL 71 460 ARG 72 461 ALA 73 462 MET 74 463 VAL 75 464 ASN 76 465 ASP 77 466 SER 78 467 GLY 79 468 ARG 80 469 ARG 81 470 VAL 82 471 LYS 83 472 GLU 84 473 ALA 85 474 GLY 86 475 PRO 87 476 SER 88 477 MET 89 478 PRO 90 479 VAL 91 480 GLU 92 481 ILE 93 482 THR 94 483 GLY 95 484 LEU 96 485 HIS 97 486 ASP 98 487 VAL 99 488 PRO 100 489 GLN 101 490 ALA 102 491 GLY 103 492 ASP 104 493 ARG 105 494 PHE 106 495 MET 107 496 VAL 108 497 PHE 109 498 GLU 110 499 ASP 111 500 GLU 112 501 LYS 113 502 LYS 114 503 ALA 115 504 ARG 116 505 GLN 117 506 ILE 118 507 GLY 119 508 GLU 120 509 ALA 121 510 ARG 122 511 ALA 123 512 GLN 124 513 ARG 125 514 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity fermicutes 1422 Bacteria Terrabacteria Bacillus stearothermophilus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.15 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' glycerol 2 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HBHACONH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HNCACO' '3D 1H-15N TOCSY' '3D HBHACONH' '3D HCCH-TOCSY' '2D 1H-1H NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 401 12 ILE HA H 3.899 . . 2 401 12 ILE HB H 1.978 . . 3 401 12 ILE C C 171.766 . . 4 401 12 ILE CA C 60.690 . . 5 401 12 ILE CB C 38.966 . . 6 402 13 LEU H H 8.534 . . 7 402 13 LEU HA H 4.481 . . 8 402 13 LEU HB2 H 1.631 . . 9 402 13 LEU HB3 H 1.631 . . 10 402 13 LEU C C 176.274 . . 11 402 13 LEU CA C 55.116 . . 12 402 13 LEU CB C 42.739 . . 13 402 13 LEU N N 126.710 . . 14 403 14 LEU H H 8.549 . . 15 403 14 LEU HA H 4.416 . . 16 403 14 LEU HB2 H 1.631 . . 17 403 14 LEU HB3 H 1.631 . . 18 403 14 LEU HD1 H 0.946 . . 19 403 14 LEU HD2 H 0.886 . . 20 403 14 LEU C C 177.291 . . 21 403 14 LEU CA C 55.240 . . 22 403 14 LEU CB C 42.533 . . 23 403 14 LEU CD1 C 24.947 . . 24 403 14 LEU CD2 C 23.723 . . 25 403 14 LEU N N 125.297 . . 26 404 15 VAL H H 8.245 . . 27 404 15 VAL HA H 4.133 . . 28 404 15 VAL HB H 2.094 . . 29 404 15 VAL HG1 H 0.971 . . 30 404 15 VAL C C 176.497 . . 31 404 15 VAL CA C 62.923 . . 32 404 15 VAL CB C 32.845 . . 33 404 15 VAL CG1 C 20.972 . . 34 404 15 VAL N N 121.507 . . 35 405 16 SER H H 8.364 . . 36 405 16 SER HA H 4.461 . . 37 405 16 SER HB2 H 3.977 . . 38 405 16 SER HB3 H 3.898 . . 39 405 16 SER C C 175.239 . . 40 405 16 SER CA C 58.912 . . 41 405 16 SER CB C 63.797 . . 42 405 16 SER N N 118.255 . . 43 406 17 GLU H H 8.373 . . 44 406 17 GLU HA H 4.337 . . 45 406 17 GLU HB2 H 2.111 . . 46 406 17 GLU HB3 H 2.111 . . 47 406 17 GLU HG2 H 2.381 . . 48 406 17 GLU HG3 H 2.381 . . 49 406 17 GLU C C 176.278 . . 50 406 17 GLU CA C 56.211 . . 51 406 17 GLU CB C 30.577 . . 52 406 17 GLU CG C 34.054 . . 53 406 17 GLU N N 122.679 . . 54 407 18 MET H H 8.413 . . 55 407 18 MET C C 176.304 . . 56 407 18 MET CA C 56.496 . . 57 407 18 MET CB C 32.794 . . 58 407 18 MET N N 122.781 . . 59 408 19 GLU H H 8.323 . . 60 408 19 GLU C C 175.311 . . 61 408 19 GLU CA C 56.228 . . 62 408 19 GLU CB C 33.082 . . 63 408 19 GLU N N 123.670 . . 64 409 20 GLU H H 8.471 . . 65 409 20 GLU HA H 4.155 . . 66 409 20 GLU HB2 H 2.091 . . 67 409 20 GLU HB3 H 2.091 . . 68 409 20 GLU C C 177.262 . . 69 409 20 GLU CA C 56.593 . . 70 409 20 GLU CB C 30.282 . . 71 409 20 GLU N N 122.724 . . 72 410 21 LEU H H 8.100 . . 73 410 21 LEU HA H 4.249 . . 74 410 21 LEU HB2 H 1.719 . . 75 410 21 LEU HB3 H 1.719 . . 76 410 21 LEU C C 177.925 . . 77 410 21 LEU CA C 56.119 . . 78 410 21 LEU CB C 42.249 . . 79 410 21 LEU N N 121.404 . . 80 411 22 LYS H H 7.962 . . 81 411 22 LYS HA H 4.227 . . 82 411 22 LYS HB2 H 1.850 . . 83 411 22 LYS HB3 H 1.497 . . 84 411 22 LYS HG2 H 1.524 . . 85 411 22 LYS HG3 H 1.524 . . 86 411 22 LYS C C 176.632 . . 87 411 22 LYS CA C 56.971 . . 88 411 22 LYS CB C 32.728 . . 89 411 22 LYS N N 119.826 . . 90 412 23 ALA H H 7.977 . . 91 412 23 ALA HA H 4.310 . . 92 412 23 ALA HB H 1.409 . . 93 412 23 ALA C C 177.179 . . 94 412 23 ALA CA C 52.622 . . 95 412 23 ALA CB C 19.242 . . 96 412 23 ALA N N 122.563 . . 97 413 24 ASN H H 8.158 . . 98 413 24 ASN HA H 4.977 . . 99 413 24 ASN HB2 H 2.885 . . 100 413 24 ASN HB3 H 2.753 . . 101 413 24 ASN HD21 H 6.842 . . 102 413 24 ASN HD22 H 7.701 . . 103 413 24 ASN C C 173.661 . . 104 413 24 ASN CA C 51.441 . . 105 413 24 ASN CB C 39.319 . . 106 413 24 ASN N N 118.010 . . 107 413 24 ASN ND2 N 112.841 . . 108 414 25 PRO HA H 4.463 . . 109 414 25 PRO HB2 H 1.954 . . 110 414 25 PRO HB3 H 2.300 . . 111 414 25 PRO HG2 H 2.266 . . 112 414 25 PRO HG3 H 2.035 . . 113 414 25 PRO HD2 H 3.853 . . 114 414 25 PRO HD3 H 3.756 . . 115 414 25 PRO C C 177.000 . . 116 414 25 PRO CA C 63.826 . . 117 414 25 PRO CB C 32.296 . . 118 414 25 PRO CG C 27.443 . . 119 414 25 PRO CD C 50.924 . . 120 415 26 ASN H H 8.493 . . 121 415 26 ASN HA H 4.766 . . 122 415 26 ASN HB2 H 2.898 . . 123 415 26 ASN HB3 H 2.824 . . 124 415 26 ASN C C 174.947 . . 125 415 26 ASN CA C 53.594 . . 126 415 26 ASN CB C 38.968 . . 127 415 26 ASN N N 117.466 . . 128 416 27 ARG H H 8.380 . . 129 416 27 ARG C C 176.283 . . 130 416 27 ARG N N 121.674 . . 131 417 28 ARG CA C 56.858 . . 132 418 29 ALA H H 7.802 . . 133 418 29 ALA HA H 5.141 . . 134 418 29 ALA HB H 1.446 . . 135 418 29 ALA C C 176.129 . . 136 418 29 ALA CA C 52.411 . . 137 418 29 ALA CB C 20.792 . . 138 418 29 ALA N N 121.563 . . 139 419 30 VAL H H 8.094 . . 140 419 30 VAL HA H 4.578 . . 141 419 30 VAL HB H 2.030 . . 142 419 30 VAL HG1 H 0.954 . . 143 419 30 VAL HG2 H 0.868 . . 144 419 30 VAL C C 174.798 . . 145 419 30 VAL CA C 59.040 . . 146 419 30 VAL CB C 36.746 . . 147 419 30 VAL CG1 C 21.678 . . 148 419 30 VAL CG2 C 19.852 . . 149 419 30 VAL N N 112.963 . . 150 420 31 GLY H H 6.735 . . 151 420 31 GLY HA2 H 3.973 . . 152 420 31 GLY HA3 H 3.973 . . 153 420 31 GLY C C 172.607 . . 154 420 31 GLY CA C 47.293 . . 155 420 31 GLY N N 108.327 . . 156 421 32 THR H H 8.493 . . 157 421 32 THR HA H 5.538 . . 158 421 32 THR HB H 3.853 . . 159 421 32 THR HG2 H 1.155 . . 160 421 32 THR C C 173.094 . . 161 421 32 THR CA C 60.284 . . 162 421 32 THR CB C 72.626 . . 163 421 32 THR CG2 C 21.417 . . 164 421 32 THR N N 115.084 . . 165 422 33 VAL H H 8.909 . . 166 422 33 VAL HA H 4.289 . . 167 422 33 VAL HB H 2.315 . . 168 422 33 VAL HG1 H 0.807 . . 169 422 33 VAL HG2 H 0.636 . . 170 422 33 VAL C C 176.668 . . 171 422 33 VAL CA C 62.373 . . 172 422 33 VAL CB C 32.604 . . 173 422 33 VAL CG1 C 23.180 . . 174 422 33 VAL CG2 C 22.307 . . 175 422 33 VAL N N 123.561 . . 176 423 34 ILE H H 9.484 . . 177 423 34 ILE HA H 4.191 . . 178 423 34 ILE HB H 1.754 . . 179 423 34 ILE HG12 H 1.447 . . 180 423 34 ILE HG13 H 1.189 . . 181 423 34 ILE HG2 H 0.966 . . 182 423 34 ILE HD1 H 0.831 . . 183 423 34 ILE C C 175.489 . . 184 423 34 ILE CA C 62.701 . . 185 423 34 ILE CB C 38.543 . . 186 423 34 ILE CG1 C 27.405 . . 187 423 34 ILE CG2 C 17.208 . . 188 423 34 ILE CD1 C 12.124 . . 189 423 34 ILE N N 129.529 . . 190 424 35 GLU H H 7.507 . . 191 424 35 GLU HA H 4.577 . . 192 424 35 GLU HB2 H 2.076 . . 193 424 35 GLU HB3 H 2.076 . . 194 424 35 GLU HG2 H 2.235 . . 195 424 35 GLU HG3 H 2.141 . . 196 424 35 GLU C C 172.808 . . 197 424 35 GLU CA C 55.145 . . 198 424 35 GLU CB C 32.739 . . 199 424 35 GLU CG C 35.118 . . 200 424 35 GLU N N 115.134 . . 201 425 36 ALA H H 8.786 . . 202 425 36 ALA HA H 5.054 . . 203 425 36 ALA HB H 1.294 . . 204 425 36 ALA C C 174.981 . . 205 425 36 ALA CA C 52.580 . . 206 425 36 ALA CB C 23.205 . . 207 425 36 ALA N N 123.872 . . 208 426 37 LYS H H 8.811 . . 209 426 37 LYS HA H 4.642 . . 210 426 37 LYS HB2 H 1.989 . . 211 426 37 LYS HB3 H 1.725 . . 212 426 37 LYS HG2 H 1.232 . . 213 426 37 LYS HG3 H 0.983 . . 214 426 37 LYS HD2 H 1.597 . . 215 426 37 LYS HD3 H 1.557 . . 216 426 37 LYS HE2 H 2.794 . . 217 426 37 LYS HE3 H 2.794 . . 218 426 37 LYS C C 172.964 . . 219 426 37 LYS CA C 55.610 . . 220 426 37 LYS CB C 35.341 . . 221 426 37 LYS CG C 23.307 . . 222 426 37 LYS CD C 29.542 . . 223 426 37 LYS CE C 42.435 . . 224 426 37 LYS N N 116.507 . . 225 427 38 LEU H H 8.679 . . 226 427 38 LEU HA H 4.336 . . 227 427 38 LEU HB2 H 1.873 . . 228 427 38 LEU HB3 H 1.354 . . 229 427 38 LEU HG H 1.235 . . 230 427 38 LEU HD1 H 0.866 . . 231 427 38 LEU HD2 H 0.740 . . 232 427 38 LEU C C 175.174 . . 233 427 38 LEU CA C 54.409 . . 234 427 38 LEU CB C 42.304 . . 235 427 38 LEU CG C 27.568 . . 236 427 38 LEU CD1 C 23.734 . . 237 427 38 LEU CD2 C 22.820 . . 238 427 38 LEU N N 121.403 . . 239 428 39 ASP H H 7.866 . . 240 428 39 ASP HA H 4.869 . . 241 428 39 ASP HB2 H 3.143 . . 242 428 39 ASP HB3 H 2.379 . . 243 428 39 ASP C C 176.706 . . 244 428 39 ASP CA C 53.081 . . 245 428 39 ASP CB C 44.915 . . 246 428 39 ASP N N 129.184 . . 247 429 40 LYS H H 9.075 . . 248 429 40 LYS HA H 3.934 . . 249 429 40 LYS HB2 H 1.852 . . 250 429 40 LYS HB3 H 1.852 . . 251 429 40 LYS HG2 H 1.506 . . 252 429 40 LYS HG3 H 1.451 . . 253 429 40 LYS HD2 H 1.705 . . 254 429 40 LYS HD3 H 1.705 . . 255 429 40 LYS HE2 H 3.019 . . 256 429 40 LYS HE3 H 3.019 . . 257 429 40 LYS C C 177.139 . . 258 429 40 LYS CA C 59.722 . . 259 429 40 LYS CB C 32.136 . . 260 429 40 LYS CG C 24.947 . . 261 429 40 LYS CD C 29.234 . . 262 429 40 LYS CE C 42.300 . . 263 429 40 LYS N N 128.220 . . 264 430 41 GLY H H 8.404 . . 265 430 41 GLY HA2 H 4.197 . . 266 430 41 GLY HA3 H 3.904 . . 267 430 41 GLY C C 175.537 . . 268 430 41 GLY CA C 45.719 . . 269 430 41 GLY N N 106.130 . . 270 431 42 ARG H H 8.565 . . 271 431 42 ARG HA H 4.473 . . 272 431 42 ARG HB2 H 1.824 . . 273 431 42 ARG HB3 H 1.824 . . 274 431 42 ARG HG2 H 1.589 . . 275 431 42 ARG HG3 H 1.509 . . 276 431 42 ARG HD2 H 3.144 . . 277 431 42 ARG HD3 H 3.144 . . 278 431 42 ARG C C 176.815 . . 279 431 42 ARG CA C 56.791 . . 280 431 42 ARG CB C 32.896 . . 281 431 42 ARG N N 118.497 . . 282 432 43 GLY H H 8.430 . . 283 432 43 GLY HA2 H 4.451 . . 284 432 43 GLY HA3 H 3.780 . . 285 432 43 GLY C C 171.330 . . 286 432 43 GLY CA C 44.341 . . 287 432 43 GLY N N 110.434 . . 288 433 44 PRO HA H 4.473 . . 289 433 44 PRO HB2 H 1.741 . . 290 433 44 PRO HB3 H 1.741 . . 291 433 44 PRO HD2 H 3.786 . . 292 433 44 PRO HD3 H 3.786 . . 293 433 44 PRO C C 176.837 . . 294 433 44 PRO CA C 64.075 . . 295 433 44 PRO CB C 32.588 . . 296 434 45 VAL H H 9.393 . . 297 434 45 VAL HA H 4.847 . . 298 434 45 VAL HB H 1.864 . . 299 434 45 VAL HG1 H 0.823 . . 300 434 45 VAL HG2 H 0.790 . . 301 434 45 VAL C C 174.210 . . 302 434 45 VAL CA C 60.942 . . 303 434 45 VAL CB C 35.629 . . 304 434 45 VAL CG1 C 20.781 . . 305 434 45 VAL CG2 C 21.997 . . 306 434 45 VAL N N 125.536 . . 307 435 46 ALA H H 7.862 . . 308 435 46 ALA HA H 5.141 . . 309 435 46 ALA HB H 1.100 . . 310 435 46 ALA C C 175.185 . . 311 435 46 ALA CA C 50.583 . . 312 435 46 ALA CB C 23.358 . . 313 435 46 ALA N N 122.274 . . 314 436 47 THR H H 9.300 . . 315 436 47 THR HA H 5.075 . . 316 436 47 THR HB H 3.990 . . 317 436 47 THR HG2 H 1.087 . . 318 436 47 THR C C 173.384 . . 319 436 47 THR CA C 62.266 . . 320 436 47 THR CB C 68.601 . . 321 436 47 THR CG2 C 21.639 . . 322 436 47 THR N N 120.389 . . 323 437 48 LEU H H 9.741 . . 324 437 48 LEU HA H 4.963 . . 325 437 48 LEU HB2 H 1.236 . . 326 437 48 LEU HB3 H 1.236 . . 327 437 48 LEU HD1 H 0.285 . . 328 437 48 LEU HD2 H -0.058 . . 329 437 48 LEU C C 174.427 . . 330 437 48 LEU CA C 53.254 . . 331 437 48 LEU CB C 43.704 . . 332 437 48 LEU CD1 C 24.381 . . 333 437 48 LEU CD2 C 25.078 . . 334 437 48 LEU N N 129.246 . . 335 438 49 LEU H H 9.071 . . 336 438 49 LEU HA H 4.498 . . 337 438 49 LEU HB2 H 2.017 . . 338 438 49 LEU HB3 H 1.225 . . 339 438 49 LEU HG H 1.267 . . 340 438 49 LEU HD1 H 0.890 . . 341 438 49 LEU HD2 H 0.830 . . 342 438 49 LEU C C 176.449 . . 343 438 49 LEU CA C 53.668 . . 344 438 49 LEU CB C 44.206 . . 345 438 49 LEU CD1 C 25.598 . . 346 438 49 LEU CD2 C 22.924 . . 347 438 49 LEU N N 121.565 . . 348 439 50 VAL H H 8.876 . . 349 439 50 VAL HA H 3.884 . . 350 439 50 VAL HB H 2.174 . . 351 439 50 VAL HG1 H 1.008 . . 352 439 50 VAL HG2 H 0.839 . . 353 439 50 VAL C C 176.014 . . 354 439 50 VAL CA C 64.536 . . 355 439 50 VAL CB C 31.478 . . 356 439 50 VAL CG1 C 22.103 . . 357 439 50 VAL CG2 C 22.644 . . 358 439 50 VAL N N 129.389 . . 359 440 51 GLN H H 9.668 . . 360 440 51 GLN HA H 4.563 . . 361 440 51 GLN HB2 H 1.993 . . 362 440 51 GLN HB3 H 1.993 . . 363 440 51 GLN HG2 H 2.376 . . 364 440 51 GLN HG3 H 2.376 . . 365 440 51 GLN C C 175.808 . . 366 440 51 GLN CA C 56.943 . . 367 440 51 GLN CB C 30.785 . . 368 440 51 GLN CG C 34.596 . . 369 440 51 GLN N N 127.140 . . 370 441 52 ALA H H 7.953 . . 371 441 52 ALA HA H 4.457 . . 372 441 52 ALA HB H 1.366 . . 373 441 52 ALA C C 175.327 . . 374 441 52 ALA CA C 52.156 . . 375 441 52 ALA CB C 22.033 . . 376 441 52 ALA N N 121.269 . . 377 442 53 GLY H H 8.432 . . 378 442 53 GLY HA2 H 4.291 . . 379 442 53 GLY HA3 H 3.667 . . 380 442 53 GLY C C 171.699 . . 381 442 53 GLY CA C 44.880 . . 382 442 53 GLY N N 107.036 . . 383 443 54 THR H H 7.749 . . 384 443 54 THR HA H 5.415 . . 385 443 54 THR HB H 3.875 . . 386 443 54 THR HG2 H 1.112 . . 387 443 54 THR C C 173.088 . . 388 443 54 THR CA C 61.276 . . 389 443 54 THR CB C 72.206 . . 390 443 54 THR N N 110.749 . . 391 444 55 LEU H H 9.181 . . 392 444 55 LEU HA H 4.547 . . 393 444 55 LEU HB2 H 1.818 . . 394 444 55 LEU HB3 H 1.103 . . 395 444 55 LEU HG H 1.429 . . 396 444 55 LEU HD1 H 0.923 . . 397 444 55 LEU HD2 H 0.475 . . 398 444 55 LEU C C 174.350 . . 399 444 55 LEU CA C 53.849 . . 400 444 55 LEU CB C 46.043 . . 401 444 55 LEU CG C 27.218 . . 402 444 55 LEU CD1 C 24.427 . . 403 444 55 LEU CD2 C 26.766 . . 404 444 55 LEU N N 130.790 . . 405 445 56 LYS H H 9.093 . . 406 445 56 LYS HA H 5.111 . . 407 445 56 LYS HB2 H 1.839 . . 408 445 56 LYS HB3 H 1.839 . . 409 445 56 LYS HG2 H 1.418 . . 410 445 56 LYS HG3 H 1.418 . . 411 445 56 LYS HE2 H 2.992 . . 412 445 56 LYS HE3 H 2.992 . . 413 445 56 LYS C C 176.354 . . 414 445 56 LYS CA C 55.145 . . 415 445 56 LYS CB C 35.861 . . 416 445 56 LYS CG C 25.381 . . 417 445 56 LYS N N 125.446 . . 418 446 57 VAL H H 7.610 . . 419 446 57 VAL HA H 3.399 . . 420 446 57 VAL HB H 1.996 . . 421 446 57 VAL HG1 H 1.115 . . 422 446 57 VAL HG2 H 0.991 . . 423 446 57 VAL C C 176.855 . . 424 446 57 VAL CA C 65.721 . . 425 446 57 VAL CB C 31.829 . . 426 446 57 VAL CG1 C 23.723 . . 427 446 57 VAL CG2 C 21.419 . . 428 446 57 VAL N N 119.855 . . 429 447 58 GLY H H 9.215 . . 430 447 58 GLY HA2 H 4.529 . . 431 447 58 GLY HA3 H 3.628 . . 432 447 58 GLY C C 174.492 . . 433 447 58 GLY CA C 44.692 . . 434 447 58 GLY N N 116.956 . . 435 448 59 ASP H H 8.114 . . 436 448 59 ASP HA H 4.990 . . 437 448 59 ASP C C 174.800 . . 438 448 59 ASP CA C 53.729 . . 439 448 59 ASP CB C 40.529 . . 440 448 59 ASP N N 123.061 . . 441 449 60 PRO HA H 5.053 . . 442 449 60 PRO HB2 H 2.059 . . 443 449 60 PRO HB3 H 2.059 . . 444 449 60 PRO HD2 H 3.883 . . 445 449 60 PRO HD3 H 3.721 . . 446 449 60 PRO C C 175.965 . . 447 449 60 PRO CA C 62.189 . . 448 449 60 PRO CB C 31.562 . . 449 449 60 PRO CD C 50.795 . . 450 450 61 ILE H H 8.655 . . 451 450 61 ILE HA H 5.297 . . 452 450 61 ILE HB H 1.488 . . 453 450 61 ILE HG12 H 1.390 . . 454 450 61 ILE HG13 H 0.844 . . 455 450 61 ILE HG2 H 0.578 . . 456 450 61 ILE HD1 H 0.253 . . 457 450 61 ILE C C 173.654 . . 458 450 61 ILE CA C 59.550 . . 459 450 61 ILE CB C 43.329 . . 460 450 61 ILE CG1 C 27.089 . . 461 450 61 ILE CG2 C 16.293 . . 462 450 61 ILE CD1 C 14.376 . . 463 450 61 ILE N N 119.436 . . 464 451 62 VAL H H 8.634 . . 465 451 62 VAL HA H 4.667 . . 466 451 62 VAL HB H 2.159 . . 467 451 62 VAL HG1 H 1.103 . . 468 451 62 VAL C C 175.310 . . 469 451 62 VAL CA C 61.888 . . 470 451 62 VAL CB C 34.196 . . 471 451 62 VAL CG1 C 21.467 . . 472 451 62 VAL N N 124.081 . . 473 452 63 VAL H H 8.188 . . 474 452 63 VAL HA H 4.892 . . 475 452 63 VAL HB H 1.955 . . 476 452 63 VAL HG1 H 0.762 . . 477 452 63 VAL C C 174.357 . . 478 452 63 VAL CA C 59.552 . . 479 452 63 VAL CB C 33.000 . . 480 452 63 VAL CG1 C 21.930 . . 481 452 63 VAL N N 124.711 . . 482 453 64 GLY H H 8.624 . . 483 453 64 GLY HA2 H 4.199 . . 484 453 64 GLY HA3 H 3.891 . . 485 453 64 GLY C C 175.882 . . 486 453 64 GLY CA C 47.190 . . 487 453 64 GLY N N 115.346 . . 488 454 65 THR H H 9.178 . . 489 454 65 THR HA H 4.542 . . 490 454 65 THR HB H 4.707 . . 491 454 65 THR HG2 H 1.267 . . 492 454 65 THR C C 174.449 . . 493 454 65 THR CA C 61.494 . . 494 454 65 THR CB C 69.003 . . 495 454 65 THR CG2 C 21.454 . . 496 454 65 THR N N 118.350 . . 497 455 66 THR H H 8.861 . . 498 455 66 THR HA H 5.069 . . 499 455 66 THR HB H 4.099 . . 500 455 66 THR HG2 H 1.232 . . 501 455 66 THR C C 172.905 . . 502 455 66 THR CA C 60.249 . . 503 455 66 THR CB C 70.321 . . 504 455 66 THR CG2 C 19.184 . . 505 455 66 THR N N 118.515 . . 506 456 67 TYR H H 8.963 . . 507 456 67 TYR HA H 5.469 . . 508 456 67 TYR HB2 H 3.281 . . 509 456 67 TYR HB3 H 3.281 . . 510 456 67 TYR HD1 H 7.011 . . 511 456 67 TYR HD2 H 7.011 . . 512 456 67 TYR C C 173.540 . . 513 456 67 TYR CA C 56.060 . . 514 456 67 TYR CB C 40.429 . . 515 456 67 TYR N N 118.020 . . 516 457 68 GLY H H 8.628 . . 517 457 68 GLY HA2 H 4.440 . . 518 457 68 GLY HA3 H 4.107 . . 519 457 68 GLY C C 171.432 . . 520 457 68 GLY CA C 45.962 . . 521 457 68 GLY N N 105.066 . . 522 458 69 ARG H H 7.718 . . 523 458 69 ARG HA H 5.177 . . 524 458 69 ARG HB2 H 1.753 . . 525 458 69 ARG HB3 H 1.753 . . 526 458 69 ARG HG2 H 1.537 . . 527 458 69 ARG HG3 H 1.537 . . 528 458 69 ARG HD2 H 3.266 . . 529 458 69 ARG HD3 H 3.266 . . 530 458 69 ARG C C 175.536 . . 531 458 69 ARG CA C 54.985 . . 532 458 69 ARG CB C 32.991 . . 533 458 69 ARG CG C 33.126 . . 534 458 69 ARG N N 122.757 . . 535 459 70 VAL H H 8.537 . . 536 459 70 VAL HA H 3.794 . . 537 459 70 VAL HB H 2.322 . . 538 459 70 VAL HG1 H 0.988 . . 539 459 70 VAL HG2 H 0.954 . . 540 459 70 VAL C C 177.039 . . 541 459 70 VAL CA C 64.846 . . 542 459 70 VAL CB C 31.687 . . 543 459 70 VAL CG1 C 21.634 . . 544 459 70 VAL CG2 C 21.971 . . 545 459 70 VAL N N 122.971 . . 546 460 71 ARG H H 8.795 . . 547 460 71 ARG HA H 4.406 . . 548 460 71 ARG HB2 H 1.830 . . 549 460 71 ARG HB3 H 1.830 . . 550 460 71 ARG HD2 H 3.171 . . 551 460 71 ARG HD3 H 3.171 . . 552 460 71 ARG C C 175.346 . . 553 460 71 ARG CA C 57.357 . . 554 460 71 ARG CB C 30.860 . . 555 460 71 ARG CD C 43.794 . . 556 460 71 ARG N N 132.495 . . 557 461 72 ALA H H 7.486 . . 558 461 72 ALA HA H 4.442 . . 559 461 72 ALA HB H 1.349 . . 560 461 72 ALA C C 174.955 . . 561 461 72 ALA CA C 51.575 . . 562 461 72 ALA CB C 21.596 . . 563 461 72 ALA N N 119.625 . . 564 462 73 MET H H 8.608 . . 565 462 73 MET HA H 5.278 . . 566 462 73 MET HB2 H 1.929 . . 567 462 73 MET HB3 H 1.736 . . 568 462 73 MET HG2 H 2.026 . . 569 462 73 MET HG3 H 2.026 . . 570 462 73 MET HE H 1.711 . . 571 462 73 MET C C 174.393 . . 572 462 73 MET CA C 55.208 . . 573 462 73 MET CB C 37.847 . . 574 462 73 MET CG C 32.116 . . 575 462 73 MET CE C 16.647 . . 576 462 73 MET N N 118.846 . . 577 463 74 VAL H H 8.768 . . 578 463 74 VAL HA H 4.975 . . 579 463 74 VAL HB H 1.883 . . 580 463 74 VAL HG1 H 0.931 . . 581 463 74 VAL HG2 H 0.871 . . 582 463 74 VAL C C 175.852 . . 583 463 74 VAL CA C 60.262 . . 584 463 74 VAL CB C 35.492 . . 585 463 74 VAL CG1 C 21.242 . . 586 463 74 VAL CG2 C 20.898 . . 587 463 74 VAL N N 121.950 . . 588 464 75 ASN H H 8.765 . . 589 464 75 ASN HA H 5.032 . . 590 464 75 ASN HB2 H 3.955 . . 591 464 75 ASN HB3 H 2.749 . . 592 464 75 ASN HD21 H 6.910 . . 593 464 75 ASN HD22 H 7.622 . . 594 464 75 ASN C C 176.659 . . 595 464 75 ASN CA C 51.436 . . 596 464 75 ASN CB C 39.095 . . 597 464 75 ASN N N 123.438 . . 598 464 75 ASN ND2 N 111.124 . . 599 465 76 ASP H H 9.043 . . 600 465 76 ASP HA H 4.395 . . 601 465 76 ASP HB2 H 2.966 . . 602 465 76 ASP HB3 H 2.749 . . 603 465 76 ASP C C 177.198 . . 604 465 76 ASP CA C 56.335 . . 605 465 76 ASP CB C 39.901 . . 606 465 76 ASP N N 117.873 . . 607 466 77 SER H H 7.811 . . 608 466 77 SER HA H 4.703 . . 609 466 77 SER HB2 H 4.020 . . 610 466 77 SER HB3 H 3.969 . . 611 466 77 SER C C 174.942 . . 612 466 77 SER CA C 58.281 . . 613 466 77 SER CB C 63.943 . . 614 466 77 SER N N 114.151 . . 615 467 78 GLY H H 8.317 . . 616 467 78 GLY HA2 H 4.213 . . 617 467 78 GLY HA3 H 3.576 . . 618 467 78 GLY C C 174.075 . . 619 467 78 GLY CA C 45.700 . . 620 467 78 GLY N N 109.342 . . 621 468 79 ARG H H 7.861 . . 622 468 79 ARG HA H 4.461 . . 623 468 79 ARG HB2 H 1.808 . . 624 468 79 ARG HB3 H 1.669 . . 625 468 79 ARG HD2 H 3.212 . . 626 468 79 ARG HD3 H 3.212 . . 627 468 79 ARG C C 175.624 . . 628 468 79 ARG CA C 55.003 . . 629 468 79 ARG CB C 31.231 . . 630 468 79 ARG CD C 43.746 . . 631 468 79 ARG N N 120.971 . . 632 469 80 ARG H H 8.631 . . 633 469 80 ARG HA H 4.861 . . 634 469 80 ARG HB2 H 1.859 . . 635 469 80 ARG HB3 H 1.859 . . 636 469 80 ARG HG2 H 1.867 . . 637 469 80 ARG HG3 H 1.656 . . 638 469 80 ARG HD2 H 3.237 . . 639 469 80 ARG HD3 H 3.237 . . 640 469 80 ARG C C 177.027 . . 641 469 80 ARG CA C 56.566 . . 642 469 80 ARG CB C 30.274 . . 643 469 80 ARG CG C 27.564 . . 644 469 80 ARG CD C 43.397 . . 645 469 80 ARG N N 123.800 . . 646 470 81 VAL H H 8.283 . . 647 470 81 VAL HA H 4.772 . . 648 470 81 VAL HB H 2.369 . . 649 470 81 VAL HG1 H 0.987 . . 650 470 81 VAL HG2 H 0.697 . . 651 470 81 VAL C C 175.117 . . 652 470 81 VAL CA C 59.521 . . 653 470 81 VAL CB C 35.763 . . 654 470 81 VAL CG1 C 22.407 . . 655 470 81 VAL CG2 C 18.646 . . 656 470 81 VAL N N 117.176 . . 657 471 82 LYS H H 8.757 . . 658 471 82 LYS HA H 4.541 . . 659 471 82 LYS HB2 H 1.996 . . 660 471 82 LYS HB3 H 1.814 . . 661 471 82 LYS HG2 H 1.512 . . 662 471 82 LYS HG3 H 1.512 . . 663 471 82 LYS C C 176.123 . . 664 471 82 LYS CA C 56.730 . . 665 471 82 LYS CB C 34.015 . . 666 471 82 LYS N N 118.230 . . 667 472 83 GLU H H 7.447 . . 668 472 83 GLU HA H 5.285 . . 669 472 83 GLU HB2 H 2.018 . . 670 472 83 GLU HB3 H 1.786 . . 671 472 83 GLU HG2 H 2.087 . . 672 472 83 GLU HG3 H 2.087 . . 673 472 83 GLU C C 173.673 . . 674 472 83 GLU CA C 54.554 . . 675 472 83 GLU CB C 33.394 . . 676 472 83 GLU CG C 35.471 . . 677 472 83 GLU N N 115.807 . . 678 473 84 ALA H H 9.133 . . 679 473 84 ALA HA H 4.752 . . 680 473 84 ALA HB H 1.407 . . 681 473 84 ALA C C 175.198 . . 682 473 84 ALA CA C 52.284 . . 683 473 84 ALA CB C 23.482 . . 684 473 84 ALA N N 123.402 . . 685 474 85 GLY H H 7.946 . . 686 474 85 GLY HA2 H 5.019 . . 687 474 85 GLY HA3 H 3.880 . . 688 474 85 GLY C C 170.713 . . 689 474 85 GLY CA C 43.689 . . 690 474 85 GLY N N 111.104 . . 691 475 86 PRO HA H 4.311 . . 692 475 86 PRO HB2 H 2.231 . . 693 475 86 PRO HB3 H 2.231 . . 694 475 86 PRO HG2 H 2.131 . . 695 475 86 PRO HG3 H 2.131 . . 696 475 86 PRO HD2 H 3.827 . . 697 475 86 PRO HD3 H 3.827 . . 698 475 86 PRO C C 177.714 . . 699 475 86 PRO CA C 63.737 . . 700 475 86 PRO CB C 32.731 . . 701 476 87 SER H H 8.696 . . 702 476 87 SER HA H 4.112 . . 703 476 87 SER HB2 H 4.213 . . 704 476 87 SER HB3 H 4.213 . . 705 476 87 SER C C 173.248 . . 706 476 87 SER CA C 60.499 . . 707 476 87 SER CB C 62.436 . . 708 476 87 SER N N 112.937 . . 709 477 88 MET H H 8.033 . . 710 477 88 MET HA H 4.998 . . 711 477 88 MET HB2 H 2.221 . . 712 477 88 MET HB3 H 2.121 . . 713 477 88 MET HG2 H 2.641 . . 714 477 88 MET HG3 H 2.528 . . 715 477 88 MET CA C 53.511 . . 716 477 88 MET CB C 34.476 . . 717 477 88 MET CG C 32.248 . . 718 477 88 MET N N 121.086 . . 719 478 89 PRO HA H 5.390 . . 720 478 89 PRO HB2 H 1.862 . . 721 478 89 PRO HB3 H 1.862 . . 722 478 89 PRO HG2 H 2.007 . . 723 478 89 PRO HG3 H 2.007 . . 724 478 89 PRO C C 177.707 . . 725 478 89 PRO CA C 62.194 . . 726 478 89 PRO CB C 31.662 . . 727 478 89 PRO CG C 32.190 . . 728 479 90 VAL H H 8.824 . . 729 479 90 VAL HA H 4.948 . . 730 479 90 VAL HB H 1.721 . . 731 479 90 VAL HG1 H 0.796 . . 732 479 90 VAL HG2 H 0.784 . . 733 479 90 VAL C C 173.456 . . 734 479 90 VAL CA C 58.807 . . 735 479 90 VAL CB C 36.283 . . 736 479 90 VAL CG1 C 22.589 . . 737 479 90 VAL CG2 C 17.994 . . 738 479 90 VAL N N 116.453 . . 739 480 91 GLU H H 9.124 . . 740 480 91 GLU HA H 5.167 . . 741 480 91 GLU HB2 H 1.928 . . 742 480 91 GLU HB3 H 1.928 . . 743 480 91 GLU C C 177.424 . . 744 480 91 GLU CA C 55.139 . . 745 480 91 GLU CB C 31.745 . . 746 480 91 GLU N N 124.770 . . 747 481 92 ILE H H 9.392 . . 748 481 92 ILE HA H 5.706 . . 749 481 92 ILE HB H 2.067 . . 750 481 92 ILE HG12 H 1.531 . . 751 481 92 ILE HG13 H 0.980 . . 752 481 92 ILE HG2 H 0.806 . . 753 481 92 ILE HD1 H 0.602 . . 754 481 92 ILE C C 175.572 . . 755 481 92 ILE CA C 58.807 . . 756 481 92 ILE CB C 42.002 . . 757 481 92 ILE CG1 C 26.285 . . 758 481 92 ILE CG2 C 19.503 . . 759 481 92 ILE CD1 C 16.285 . . 760 481 92 ILE N N 120.936 . . 761 482 93 THR H H 7.750 . . 762 482 93 THR HA H 4.879 . . 763 482 93 THR HB H 4.376 . . 764 482 93 THR HG2 H 1.235 . . 765 482 93 THR C C 175.338 . . 766 482 93 THR CA C 59.659 . . 767 482 93 THR CB C 71.259 . . 768 482 93 THR CG2 C 23.357 . . 769 482 93 THR N N 110.801 . . 770 483 94 GLY H H 9.118 . . 771 483 94 GLY HA2 H 5.525 . . 772 483 94 GLY HA3 H 3.676 . . 773 483 94 GLY C C 175.915 . . 774 483 94 GLY CA C 44.838 . . 775 483 94 GLY N N 107.028 . . 776 484 95 LEU H H 7.635 . . 777 484 95 LEU HA H 4.438 . . 778 484 95 LEU HB2 H 1.713 . . 779 484 95 LEU HB3 H 1.482 . . 780 484 95 LEU HD1 H 0.652 . . 781 484 95 LEU HD2 H 0.514 . . 782 484 95 LEU C C 177.210 . . 783 484 95 LEU CA C 54.843 . . 784 484 95 LEU CB C 42.905 . . 785 484 95 LEU CD1 C 26.315 . . 786 484 95 LEU CD2 C 22.857 . . 787 484 95 LEU N N 119.085 . . 788 485 96 HIS H H 8.685 . . 789 485 96 HIS HA H 4.206 . . 790 485 96 HIS HB2 H 2.810 . . 791 485 96 HIS HB3 H 2.728 . . 792 485 96 HIS C C 173.625 . . 793 485 96 HIS CA C 58.759 . . 794 485 96 HIS CB C 28.844 . . 795 485 96 HIS N N 117.566 . . 796 486 97 ASP H H 7.558 . . 797 486 97 ASP HA H 4.821 . . 798 486 97 ASP HB2 H 2.642 . . 799 486 97 ASP HB3 H 2.294 . . 800 486 97 ASP C C 172.539 . . 801 486 97 ASP CA C 51.249 . . 802 486 97 ASP CB C 44.172 . . 803 486 97 ASP N N 115.776 . . 804 487 98 VAL H H 8.694 . . 805 487 98 VAL HA H 3.923 . . 806 487 98 VAL HB H 2.040 . . 807 487 98 VAL HG1 H 0.986 . . 808 487 98 VAL C C 175.504 . . 809 487 98 VAL CA C 61.101 . . 810 487 98 VAL CB C 32.566 . . 811 487 98 VAL N N 119.107 . . 812 488 99 PRO HA H 4.848 . . 813 488 99 PRO HB2 H 2.307 . . 814 488 99 PRO HB3 H 2.307 . . 815 488 99 PRO C C 172.542 . . 816 488 99 PRO CA C 62.379 . . 817 488 99 PRO CB C 32.218 . . 818 489 100 GLN H H 8.688 . . 819 489 100 GLN HA H 4.471 . . 820 489 100 GLN HB2 H 2.008 . . 821 489 100 GLN HB3 H 2.008 . . 822 489 100 GLN HG2 H 2.402 . . 823 489 100 GLN HG3 H 2.402 . . 824 489 100 GLN HE21 H 6.831 . . 825 489 100 GLN HE22 H 7.694 . . 826 489 100 GLN C C 175.929 . . 827 489 100 GLN CA C 54.200 . . 828 489 100 GLN CB C 31.296 . . 829 489 100 GLN CG C 34.170 . . 830 489 100 GLN N N 115.692 . . 831 489 100 GLN NE2 N 112.843 . . 832 490 101 ALA H H 8.660 . . 833 490 101 ALA HA H 3.654 . . 834 490 101 ALA HB H 1.376 . . 835 490 101 ALA C C 178.604 . . 836 490 101 ALA CA C 53.976 . . 837 490 101 ALA CB C 17.894 . . 838 490 101 ALA N N 124.403 . . 839 491 102 GLY H H 9.116 . . 840 491 102 GLY HA2 H 4.487 . . 841 491 102 GLY HA3 H 3.629 . . 842 491 102 GLY C C 174.870 . . 843 491 102 GLY CA C 44.979 . . 844 491 102 GLY N N 112.651 . . 845 492 103 ASP H H 8.171 . . 846 492 103 ASP HA H 4.602 . . 847 492 103 ASP HB2 H 2.790 . . 848 492 103 ASP HB3 H 2.503 . . 849 492 103 ASP C C 175.548 . . 850 492 103 ASP CA C 55.636 . . 851 492 103 ASP CB C 41.879 . . 852 492 103 ASP N N 121.686 . . 853 493 104 ARG H H 8.863 . . 854 493 104 ARG HA H 5.116 . . 855 493 104 ARG HB2 H 1.956 . . 856 493 104 ARG HB3 H 1.956 . . 857 493 104 ARG HG2 H 1.820 . . 858 493 104 ARG HG3 H 1.820 . . 859 493 104 ARG HD2 H 3.240 . . 860 493 104 ARG HD3 H 3.240 . . 861 493 104 ARG C C 176.668 . . 862 493 104 ARG CA C 54.893 . . 863 493 104 ARG CB C 31.540 . . 864 493 104 ARG CG C 27.884 . . 865 493 104 ARG CD C 43.411 . . 866 493 104 ARG N N 119.848 . . 867 494 105 PHE H H 8.565 . . 868 494 105 PHE HA H 6.168 . . 869 494 105 PHE HB2 H 3.260 . . 870 494 105 PHE HB3 H 2.474 . . 871 494 105 PHE HD1 H 6.728 . . 872 494 105 PHE HD2 H 6.728 . . 873 494 105 PHE C C 173.470 . . 874 494 105 PHE CA C 54.772 . . 875 494 105 PHE CB C 45.207 . . 876 494 105 PHE N N 119.514 . . 877 495 106 MET H H 8.951 . . 878 495 106 MET HA H 5.158 . . 879 495 106 MET HB2 H 1.968 . . 880 495 106 MET HB3 H 1.968 . . 881 495 106 MET HG2 H 2.516 . . 882 495 106 MET HG3 H 2.421 . . 883 495 106 MET C C 174.326 . . 884 495 106 MET CA C 55.320 . . 885 495 106 MET CB C 37.170 . . 886 495 106 MET CG C 32.060 . . 887 495 106 MET N N 118.693 . . 888 496 107 VAL H H 8.244 . . 889 496 107 VAL HA H 4.869 . . 890 496 107 VAL HB H 2.100 . . 891 496 107 VAL HG1 H 1.226 . . 892 496 107 VAL C C 175.617 . . 893 496 107 VAL CA C 62.391 . . 894 496 107 VAL CB C 33.351 . . 895 496 107 VAL CG1 C 22.955 . . 896 496 107 VAL N N 123.902 . . 897 497 108 PHE H H 8.247 . . 898 497 108 PHE HA H 4.857 . . 899 497 108 PHE HB2 H 2.863 . . 900 497 108 PHE HB3 H 2.863 . . 901 497 108 PHE C C 174.282 . . 902 497 108 PHE CA C 57.527 . . 903 497 108 PHE CB C 42.877 . . 904 497 108 PHE N N 126.640 . . 905 498 109 GLU H H 8.665 . . 906 498 109 GLU HA H 4.274 . . 907 498 109 GLU HB2 H 2.076 . . 908 498 109 GLU HB3 H 2.076 . . 909 498 109 GLU HG2 H 2.284 . . 910 498 109 GLU HG3 H 2.284 . . 911 498 109 GLU C C 175.443 . . 912 498 109 GLU CA C 57.167 . . 913 498 109 GLU CB C 29.824 . . 914 498 109 GLU CG C 36.430 . . 915 498 109 GLU N N 120.485 . . 916 499 110 ASP H H 8.157 . . 917 499 110 ASP HA H 4.706 . . 918 499 110 ASP HB2 H 2.824 . . 919 499 110 ASP HB3 H 2.728 . . 920 499 110 ASP CA C 53.597 . . 921 499 110 ASP CB C 42.242 . . 922 499 110 ASP N N 119.698 . . 923 500 111 GLU H H 8.880 . . 924 500 111 GLU HA H 4.172 . . 925 500 111 GLU HB2 H 2.096 . . 926 500 111 GLU HB3 H 2.096 . . 927 500 111 GLU HG2 H 2.370 . . 928 500 111 GLU HG3 H 2.370 . . 929 500 111 GLU C C 177.182 . . 930 500 111 GLU CA C 58.131 . . 931 500 111 GLU CB C 29.985 . . 932 500 111 GLU N N 123.477 . . 933 501 112 LYS H H 8.424 . . 934 501 112 LYS HA H 4.785 . . 935 501 112 LYS HB2 H 2.848 . . 936 501 112 LYS HB3 H 1.866 . . 937 501 112 LYS C C 177.994 . . 938 501 112 LYS CA C 58.206 . . 939 501 112 LYS CB C 32.096 . . 940 501 112 LYS N N 121.327 . . 941 502 113 LYS H H 8.091 . . 942 502 113 LYS HA H 4.171 . . 943 502 113 LYS C C 177.100 . . 944 502 113 LYS CA C 57.241 . . 945 502 113 LYS CB C 32.595 . . 946 502 113 LYS N N 120.707 . . 947 503 114 ALA H H 7.861 . . 948 503 114 ALA HA H 3.924 . . 949 503 114 ALA HB H 1.417 . . 950 503 114 ALA C C 177.986 . . 951 503 114 ALA CA C 53.771 . . 952 503 114 ALA CB C 18.791 . . 953 503 114 ALA N N 122.298 . . 954 504 115 ARG H H 8.050 . . 955 504 115 ARG HA H 3.782 . . 956 504 115 ARG HB2 H 1.777 . . 957 504 115 ARG HB3 H 1.615 . . 958 504 115 ARG C C 176.796 . . 959 504 115 ARG CA C 57.397 . . 960 504 115 ARG CB C 30.329 . . 961 504 115 ARG N N 118.387 . . 962 505 116 GLN H H 8.094 . . 963 505 116 GLN HA H 4.729 . . 964 505 116 GLN HB2 H 2.073 . . 965 505 116 GLN HB3 H 2.073 . . 966 505 116 GLN HG2 H 2.424 . . 967 505 116 GLN HG3 H 2.424 . . 968 505 116 GLN C C 177.193 . . 969 505 116 GLN CA C 57.228 . . 970 505 116 GLN CB C 29.115 . . 971 505 116 GLN N N 119.977 . . 972 506 117 ILE H H 8.079 . . 973 506 117 ILE HA H 4.024 . . 974 506 117 ILE HB H 1.846 . . 975 506 117 ILE C C 177.411 . . 976 506 117 ILE CA C 62.366 . . 977 506 117 ILE CB C 37.954 . . 978 506 117 ILE N N 121.055 . . 979 507 118 GLY H H 8.412 . . 980 507 118 GLY HA2 H 3.865 . . 981 507 118 GLY HA3 H 3.865 . . 982 507 118 GLY C C 174.601 . . 983 507 118 GLY CA C 46.128 . . 984 507 118 GLY N N 110.948 . . 985 508 119 GLU H H 8.256 . . 986 508 119 GLU HA H 4.229 . . 987 508 119 GLU HB2 H 2.048 . . 988 508 119 GLU HB3 H 1.855 . . 989 508 119 GLU HG2 H 2.374 . . 990 508 119 GLU HG3 H 2.374 . . 991 508 119 GLU C C 176.867 . . 992 508 119 GLU CA C 57.458 . . 993 508 119 GLU CB C 30.096 . . 994 508 119 GLU N N 120.252 . . 995 509 120 ALA H H 8.177 . . 996 509 120 ALA HA H 4.323 . . 997 509 120 ALA HB H 1.470 . . 998 509 120 ALA C C 177.758 . . 999 509 120 ALA CA C 53.013 . . 1000 509 120 ALA CB C 19.054 . . 1001 509 120 ALA N N 124.066 . . 1002 510 121 ARG H H 8.218 . . 1003 510 121 ARG HA H 4.314 . . 1004 510 121 ARG HB2 H 2.049 . . 1005 510 121 ARG HB3 H 2.049 . . 1006 510 121 ARG HG2 H 1.866 . . 1007 510 121 ARG HG3 H 1.765 . . 1008 510 121 ARG C C 175.770 . . 1009 510 121 ARG CA C 56.569 . . 1010 510 121 ARG CB C 30.565 . . 1011 510 121 ARG N N 119.208 . . 1012 511 122 ALA H H 8.441 . . 1013 511 122 ALA C C 177.589 . . 1014 511 122 ALA CA C 52.707 . . 1015 511 122 ALA CB C 19.244 . . 1016 511 122 ALA N N 125.888 . . 1017 512 123 GLN H H 8.376 . . 1018 512 123 GLN HA H 4.373 . . 1019 512 123 GLN HB2 H 2.068 . . 1020 512 123 GLN HB3 H 2.068 . . 1021 512 123 GLN HG2 H 2.626 . . 1022 512 123 GLN HG3 H 2.626 . . 1023 512 123 GLN C C 175.828 . . 1024 512 123 GLN CA C 55.972 . . 1025 512 123 GLN CB C 29.605 . . 1026 512 123 GLN N N 119.628 . . 1027 513 124 ARG H H 8.314 . . 1028 513 124 ARG HA H 4.348 . . 1029 513 124 ARG HB2 H 1.859 . . 1030 513 124 ARG HB3 H 1.859 . . 1031 513 124 ARG HG2 H 1.927 . . 1032 513 124 ARG HG3 H 1.704 . . 1033 513 124 ARG C C 175.344 . . 1034 513 124 ARG CA C 56.302 . . 1035 513 124 ARG CB C 30.748 . . 1036 513 124 ARG N N 122.345 . . 1037 514 125 GLN H H 8.089 . . 1038 514 125 GLN HA H 4.223 . . 1039 514 125 GLN HB2 H 1.979 . . 1040 514 125 GLN HB3 H 1.979 . . 1041 514 125 GLN HG2 H 2.355 . . 1042 514 125 GLN HG3 H 2.355 . . 1043 514 125 GLN HE21 H 6.877 . . 1044 514 125 GLN HE22 H 7.510 . . 1045 514 125 GLN C C 180.468 . . 1046 514 125 GLN CA C 57.557 . . 1047 514 125 GLN CB C 30.558 . . 1048 514 125 GLN N N 126.630 . . 1049 514 125 GLN NE2 N 111.927 . . stop_ save_