data_27934 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27934 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for IMP2 KH34 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-06-02 _Entry.Accession_date 2019-06-02 _Entry.Last_release_date 2019-06-03 _Entry.Original_release_date 2019-06-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jeetayu Biswas . . . . 27934 2 Vivek Patel . L. . . 27934 3 Varun Bhaskar . . . . 27934 4 Jeffrey Chao . A. . . 27934 5 Carolina Eliscovich . . . . 27934 6 Robert Singer . H. . . 27934 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27934 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 27934 '15N chemical shifts' 153 27934 '1H chemical shifts' 153 27934 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-04-04 2019-06-02 update BMRB 'update Polymer_type' 27934 1 . . 2019-11-08 2019-06-02 original author 'original release' 27934 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ROL 'Structure of IMP2 KH34 domains' 27934 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27934 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31570709 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The structural basis for RNA selectivity by the IMP family of RNA binding proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Comm.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4440 _Citation.Page_last 4440 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeetayu Biswas . . . . 27934 1 2 Vivek Patel . L. . . 27934 1 3 Varun Bhaskar . . . . 27934 1 4 Jeffrey Chao . A. . . 27934 1 5 Robert Singer . H. . . 27934 1 6 Carolina Eliscovich . L. . . 27934 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27934 _Assembly.ID 1 _Assembly.Name 'IGF2BP2 KH Domains 3 and 4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KH Domains 3 and 4' 1 $IMP2_KH34 A . yes native no no . . . 27934 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IMP2_KH34 _Entity.Sf_category entity _Entity.Sf_framecode IMP2_KH34 _Entity.Entry_ID 27934 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IMP2_KH34 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHGENLYFQGGSEQEI VNLFIPTQAVGAIIGKKGAH IKQLARFAGASIKIAPAEGP DVSERMVIITGPPEAQFKAQ GRIFGKLKEENFFNPKEEVK LEAHIRVPSSTAGRVIGKGG KTVNELQNLTSAEVIVPRDQ TPDENEEVIVRIIGHFFASQ TAQRKIREIVQQVKQQEQK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; H,410 H,411 H,412 ...... E,586 Q,587 K,588 ; _Entity.Polymer_author_seq_details 'Residues 1-15 represent a protein purification tag (6X HIS) and TEV cleavage sequence.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 410 HIS . 27934 1 2 411 HIS . 27934 1 3 412 HIS . 27934 1 4 413 HIS . 27934 1 5 414 HIS . 27934 1 6 415 HIS . 27934 1 7 416 GLY . 27934 1 8 417 GLU . 27934 1 9 418 ASN . 27934 1 10 419 LEU . 27934 1 11 420 TYR . 27934 1 12 421 PHE . 27934 1 13 422 GLN . 27934 1 14 423 GLY . 27934 1 15 424 GLY . 27934 1 16 425 SER . 27934 1 17 426 GLU . 27934 1 18 427 GLN . 27934 1 19 428 GLU . 27934 1 20 429 ILE . 27934 1 21 430 VAL . 27934 1 22 431 ASN . 27934 1 23 432 LEU . 27934 1 24 433 PHE . 27934 1 25 434 ILE . 27934 1 26 435 PRO . 27934 1 27 436 THR . 27934 1 28 437 GLN . 27934 1 29 438 ALA . 27934 1 30 439 VAL . 27934 1 31 440 GLY . 27934 1 32 441 ALA . 27934 1 33 442 ILE . 27934 1 34 443 ILE . 27934 1 35 444 GLY . 27934 1 36 445 LYS . 27934 1 37 446 LYS . 27934 1 38 447 GLY . 27934 1 39 448 ALA . 27934 1 40 449 HIS . 27934 1 41 450 ILE . 27934 1 42 451 LYS . 27934 1 43 452 GLN . 27934 1 44 453 LEU . 27934 1 45 454 ALA . 27934 1 46 455 ARG . 27934 1 47 456 PHE . 27934 1 48 457 ALA . 27934 1 49 458 GLY . 27934 1 50 459 ALA . 27934 1 51 460 SER . 27934 1 52 461 ILE . 27934 1 53 462 LYS . 27934 1 54 463 ILE . 27934 1 55 464 ALA . 27934 1 56 465 PRO . 27934 1 57 466 ALA . 27934 1 58 467 GLU . 27934 1 59 468 GLY . 27934 1 60 469 PRO . 27934 1 61 470 ASP . 27934 1 62 471 VAL . 27934 1 63 472 SER . 27934 1 64 473 GLU . 27934 1 65 474 ARG . 27934 1 66 475 MET . 27934 1 67 476 VAL . 27934 1 68 477 ILE . 27934 1 69 478 ILE . 27934 1 70 479 THR . 27934 1 71 480 GLY . 27934 1 72 481 PRO . 27934 1 73 482 PRO . 27934 1 74 483 GLU . 27934 1 75 484 ALA . 27934 1 76 485 GLN . 27934 1 77 486 PHE . 27934 1 78 487 LYS . 27934 1 79 488 ALA . 27934 1 80 489 GLN . 27934 1 81 490 GLY . 27934 1 82 491 ARG . 27934 1 83 492 ILE . 27934 1 84 493 PHE . 27934 1 85 494 GLY . 27934 1 86 495 LYS . 27934 1 87 496 LEU . 27934 1 88 497 LYS . 27934 1 89 498 GLU . 27934 1 90 499 GLU . 27934 1 91 500 ASN . 27934 1 92 501 PHE . 27934 1 93 502 PHE . 27934 1 94 503 ASN . 27934 1 95 504 PRO . 27934 1 96 505 LYS . 27934 1 97 506 GLU . 27934 1 98 507 GLU . 27934 1 99 508 VAL . 27934 1 100 509 LYS . 27934 1 101 510 LEU . 27934 1 102 511 GLU . 27934 1 103 512 ALA . 27934 1 104 513 HIS . 27934 1 105 514 ILE . 27934 1 106 515 ARG . 27934 1 107 516 VAL . 27934 1 108 517 PRO . 27934 1 109 518 SER . 27934 1 110 519 SER . 27934 1 111 520 THR . 27934 1 112 521 ALA . 27934 1 113 522 GLY . 27934 1 114 523 ARG . 27934 1 115 524 VAL . 27934 1 116 525 ILE . 27934 1 117 526 GLY . 27934 1 118 527 LYS . 27934 1 119 528 GLY . 27934 1 120 529 GLY . 27934 1 121 530 LYS . 27934 1 122 531 THR . 27934 1 123 532 VAL . 27934 1 124 533 ASN . 27934 1 125 534 GLU . 27934 1 126 535 LEU . 27934 1 127 536 GLN . 27934 1 128 537 ASN . 27934 1 129 538 LEU . 27934 1 130 539 THR . 27934 1 131 540 SER . 27934 1 132 541 ALA . 27934 1 133 542 GLU . 27934 1 134 543 VAL . 27934 1 135 544 ILE . 27934 1 136 545 VAL . 27934 1 137 546 PRO . 27934 1 138 547 ARG . 27934 1 139 548 ASP . 27934 1 140 549 GLN . 27934 1 141 550 THR . 27934 1 142 551 PRO . 27934 1 143 552 ASP . 27934 1 144 553 GLU . 27934 1 145 554 ASN . 27934 1 146 555 GLU . 27934 1 147 556 GLU . 27934 1 148 557 VAL . 27934 1 149 558 ILE . 27934 1 150 559 VAL . 27934 1 151 560 ARG . 27934 1 152 561 ILE . 27934 1 153 562 ILE . 27934 1 154 563 GLY . 27934 1 155 564 HIS . 27934 1 156 565 PHE . 27934 1 157 566 PHE . 27934 1 158 567 ALA . 27934 1 159 568 SER . 27934 1 160 569 GLN . 27934 1 161 570 THR . 27934 1 162 571 ALA . 27934 1 163 572 GLN . 27934 1 164 573 ARG . 27934 1 165 574 LYS . 27934 1 166 575 ILE . 27934 1 167 576 ARG . 27934 1 168 577 GLU . 27934 1 169 578 ILE . 27934 1 170 579 VAL . 27934 1 171 580 GLN . 27934 1 172 581 GLN . 27934 1 173 582 VAL . 27934 1 174 583 LYS . 27934 1 175 584 GLN . 27934 1 176 585 GLN . 27934 1 177 586 GLU . 27934 1 178 587 GLN . 27934 1 179 588 LYS . 27934 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . HIS 1 1 27934 1 . HIS 2 2 27934 1 . HIS 3 3 27934 1 . HIS 4 4 27934 1 . HIS 5 5 27934 1 . HIS 6 6 27934 1 . GLY 7 7 27934 1 . GLU 8 8 27934 1 . ASN 9 9 27934 1 . LEU 10 10 27934 1 . TYR 11 11 27934 1 . PHE 12 12 27934 1 . GLN 13 13 27934 1 . GLY 14 14 27934 1 . GLY 15 15 27934 1 . SER 16 16 27934 1 . GLU 17 17 27934 1 . GLN 18 18 27934 1 . GLU 19 19 27934 1 . ILE 20 20 27934 1 . VAL 21 21 27934 1 . ASN 22 22 27934 1 . LEU 23 23 27934 1 . PHE 24 24 27934 1 . ILE 25 25 27934 1 . PRO 26 26 27934 1 . THR 27 27 27934 1 . GLN 28 28 27934 1 . ALA 29 29 27934 1 . VAL 30 30 27934 1 . GLY 31 31 27934 1 . ALA 32 32 27934 1 . ILE 33 33 27934 1 . ILE 34 34 27934 1 . GLY 35 35 27934 1 . LYS 36 36 27934 1 . LYS 37 37 27934 1 . GLY 38 38 27934 1 . ALA 39 39 27934 1 . HIS 40 40 27934 1 . ILE 41 41 27934 1 . LYS 42 42 27934 1 . GLN 43 43 27934 1 . LEU 44 44 27934 1 . ALA 45 45 27934 1 . ARG 46 46 27934 1 . PHE 47 47 27934 1 . ALA 48 48 27934 1 . GLY 49 49 27934 1 . ALA 50 50 27934 1 . SER 51 51 27934 1 . ILE 52 52 27934 1 . LYS 53 53 27934 1 . ILE 54 54 27934 1 . ALA 55 55 27934 1 . PRO 56 56 27934 1 . ALA 57 57 27934 1 . GLU 58 58 27934 1 . GLY 59 59 27934 1 . PRO 60 60 27934 1 . ASP 61 61 27934 1 . VAL 62 62 27934 1 . SER 63 63 27934 1 . GLU 64 64 27934 1 . ARG 65 65 27934 1 . MET 66 66 27934 1 . VAL 67 67 27934 1 . ILE 68 68 27934 1 . ILE 69 69 27934 1 . THR 70 70 27934 1 . GLY 71 71 27934 1 . PRO 72 72 27934 1 . PRO 73 73 27934 1 . GLU 74 74 27934 1 . ALA 75 75 27934 1 . GLN 76 76 27934 1 . PHE 77 77 27934 1 . LYS 78 78 27934 1 . ALA 79 79 27934 1 . GLN 80 80 27934 1 . GLY 81 81 27934 1 . ARG 82 82 27934 1 . ILE 83 83 27934 1 . PHE 84 84 27934 1 . GLY 85 85 27934 1 . LYS 86 86 27934 1 . LEU 87 87 27934 1 . LYS 88 88 27934 1 . GLU 89 89 27934 1 . GLU 90 90 27934 1 . ASN 91 91 27934 1 . PHE 92 92 27934 1 . PHE 93 93 27934 1 . ASN 94 94 27934 1 . PRO 95 95 27934 1 . LYS 96 96 27934 1 . GLU 97 97 27934 1 . GLU 98 98 27934 1 . VAL 99 99 27934 1 . LYS 100 100 27934 1 . LEU 101 101 27934 1 . GLU 102 102 27934 1 . ALA 103 103 27934 1 . HIS 104 104 27934 1 . ILE 105 105 27934 1 . ARG 106 106 27934 1 . VAL 107 107 27934 1 . PRO 108 108 27934 1 . SER 109 109 27934 1 . SER 110 110 27934 1 . THR 111 111 27934 1 . ALA 112 112 27934 1 . GLY 113 113 27934 1 . ARG 114 114 27934 1 . VAL 115 115 27934 1 . ILE 116 116 27934 1 . GLY 117 117 27934 1 . LYS 118 118 27934 1 . GLY 119 119 27934 1 . GLY 120 120 27934 1 . LYS 121 121 27934 1 . THR 122 122 27934 1 . VAL 123 123 27934 1 . ASN 124 124 27934 1 . GLU 125 125 27934 1 . LEU 126 126 27934 1 . GLN 127 127 27934 1 . ASN 128 128 27934 1 . LEU 129 129 27934 1 . THR 130 130 27934 1 . SER 131 131 27934 1 . ALA 132 132 27934 1 . GLU 133 133 27934 1 . VAL 134 134 27934 1 . ILE 135 135 27934 1 . VAL 136 136 27934 1 . PRO 137 137 27934 1 . ARG 138 138 27934 1 . ASP 139 139 27934 1 . GLN 140 140 27934 1 . THR 141 141 27934 1 . PRO 142 142 27934 1 . ASP 143 143 27934 1 . GLU 144 144 27934 1 . ASN 145 145 27934 1 . GLU 146 146 27934 1 . GLU 147 147 27934 1 . VAL 148 148 27934 1 . ILE 149 149 27934 1 . VAL 150 150 27934 1 . ARG 151 151 27934 1 . ILE 152 152 27934 1 . ILE 153 153 27934 1 . GLY 154 154 27934 1 . HIS 155 155 27934 1 . PHE 156 156 27934 1 . PHE 157 157 27934 1 . ALA 158 158 27934 1 . SER 159 159 27934 1 . GLN 160 160 27934 1 . THR 161 161 27934 1 . ALA 162 162 27934 1 . GLN 163 163 27934 1 . ARG 164 164 27934 1 . LYS 165 165 27934 1 . ILE 166 166 27934 1 . ARG 167 167 27934 1 . GLU 168 168 27934 1 . ILE 169 169 27934 1 . VAL 170 170 27934 1 . GLN 171 171 27934 1 . GLN 172 172 27934 1 . VAL 173 173 27934 1 . LYS 174 174 27934 1 . GLN 175 175 27934 1 . GLN 176 176 27934 1 . GLU 177 177 27934 1 . GLN 178 178 27934 1 . LYS 179 179 27934 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27934 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $IMP2_KH34 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27934 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27934 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $IMP2_KH34 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET22-HT . . . 27934 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27934 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IMP2 KH34' '[U-13C; U-15N; U-2H]' . . 1 $IMP2_KH34 . . 200 . . uM . . . . 27934 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27934 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 27934 1 pH 7.2 . pH 27934 1 pressure 1 . atm 27934 1 temperature 298 . K 27934 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27934 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27934 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27934 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27934 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27934 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 27934 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27934 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27934 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27934 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 27934 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 27934 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27934 4 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27934 _Software.ID 5 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27934 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27934 5 'data analysis' . 27934 5 'peak picking' . 27934 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27934 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27934 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27934 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27934 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27934 1 2 spectrometer_2 Bruker DRX . 600 . . . 27934 1 3 spectrometer_3 Bruker Avance . 800 . . . 27934 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27934 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 5 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 7 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27934 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27934 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 27934 1 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27934 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27934 1 2 '3D HNCO' . . . 27934 1 3 '3D HNCA' . . . 27934 1 4 '3D HNCACB' . . . 27934 1 5 '3D HCACO' . . . 27934 1 6 '3D HN(CO)CA' . . . 27934 1 7 '3D HN(COCA)CB' . . . 27934 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 HIS CA C 13 56.400 0.200 . 1 . . . . . 410 HIS CA . 27934 1 2 . 1 . 1 2 2 HIS H H 1 7.965 0.02 . 1 . . . . . 411 HIS H . 27934 1 3 . 1 . 1 2 2 HIS C C 13 177.918 0.20 . 1 . . . . . 411 HIS C . 27934 1 4 . 1 . 1 2 2 HIS CA C 13 57.400 0.200 . 1 . . . . . 411 HIS CA . 27934 1 5 . 1 . 1 2 2 HIS N N 15 119.964 0.20 . 1 . . . . . 411 HIS N . 27934 1 6 . 1 . 1 3 3 HIS H H 1 8.045 0.02 . 1 . . . . . 412 HIS H . 27934 1 7 . 1 . 1 3 3 HIS C C 13 178.278 0.20 . 1 . . . . . 412 HIS C . 27934 1 8 . 1 . 1 3 3 HIS CB C 13 31.600 0.200 . 1 . . . . . 412 HIS CB . 27934 1 9 . 1 . 1 3 3 HIS N N 15 122.013 0.20 . 1 . . . . . 412 HIS N . 27934 1 10 . 1 . 1 4 4 HIS H H 1 8.040 0.02 . 1 . . . . . 413 HIS H . 27934 1 11 . 1 . 1 4 4 HIS CA C 13 57.500 0.200 . 1 . . . . . 413 HIS CA . 27934 1 12 . 1 . 1 4 4 HIS CB C 13 30.600 0.200 . 1 . . . . . 413 HIS CB . 27934 1 13 . 1 . 1 4 4 HIS N N 15 119.183 0.20 . 1 . . . . . 413 HIS N . 27934 1 14 . 1 . 1 5 5 HIS H H 1 8.259 0.02 . 1 . . . . . 414 HIS H . 27934 1 15 . 1 . 1 5 5 HIS C C 13 179.493 0.20 . 1 . . . . . 414 HIS C . 27934 1 16 . 1 . 1 5 5 HIS N N 15 119.924 0.20 . 1 . . . . . 414 HIS N . 27934 1 17 . 1 . 1 6 6 HIS H H 1 6.747 0.02 . 1 . . . . . 415 HIS H . 27934 1 18 . 1 . 1 6 6 HIS CB C 13 28.500 0.200 . 1 . . . . . 415 HIS CB . 27934 1 19 . 1 . 1 6 6 HIS N N 15 111.792 0.20 . 1 . . . . . 415 HIS N . 27934 1 20 . 1 . 1 7 7 GLY H H 1 7.570 0.02 . 1 . . . . . 416 GLY H . 27934 1 21 . 1 . 1 7 7 GLY N N 15 112.997 0.20 . 1 . . . . . 416 GLY N . 27934 1 22 . 1 . 1 9 9 ASN H H 1 6.766 0.02 . 1 . . . . . 418 ASN H . 27934 1 23 . 1 . 1 9 9 ASN C C 13 176.883 0.20 . 1 . . . . . 418 ASN C . 27934 1 24 . 1 . 1 9 9 ASN CA C 13 56.600 0.200 . 1 . . . . . 418 ASN CA . 27934 1 25 . 1 . 1 9 9 ASN N N 15 125.728 0.20 . 1 . . . . . 418 ASN N . 27934 1 26 . 1 . 1 10 10 LEU H H 1 8.127 0.02 . 1 . . . . . 419 LEU H . 27934 1 27 . 1 . 1 10 10 LEU C C 13 176.812 0.20 . 1 . . . . . 419 LEU C . 27934 1 28 . 1 . 1 10 10 LEU CA C 13 54.800 0.200 . 1 . . . . . 419 LEU CA . 27934 1 29 . 1 . 1 10 10 LEU CB C 13 41.100 0.200 . 1 . . . . . 419 LEU CB . 27934 1 30 . 1 . 1 10 10 LEU N N 15 122.492 0.20 . 1 . . . . . 419 LEU N . 27934 1 31 . 1 . 1 11 11 TYR H H 1 7.867 0.02 . 1 . . . . . 420 TYR H . 27934 1 32 . 1 . 1 11 11 TYR C C 13 175.031 0.20 . 1 . . . . . 420 TYR C . 27934 1 33 . 1 . 1 11 11 TYR CA C 13 54.800 0.200 . 1 . . . . . 420 TYR CA . 27934 1 34 . 1 . 1 11 11 TYR CB C 13 38.200 0.200 . 1 . . . . . 420 TYR CB . 27934 1 35 . 1 . 1 11 11 TYR N N 15 120.056 0.20 . 1 . . . . . 420 TYR N . 27934 1 36 . 1 . 1 12 12 PHE H H 1 8.011 0.02 . 1 . . . . . 421 PHE H . 27934 1 37 . 1 . 1 12 12 PHE C C 13 180.884 0.20 . 1 . . . . . 421 PHE C . 27934 1 38 . 1 . 1 12 12 PHE N N 15 122.482 0.20 . 1 . . . . . 421 PHE N . 27934 1 39 . 1 . 1 13 13 GLN H H 1 7.558 0.02 . 1 . . . . . 422 GLN H . 27934 1 40 . 1 . 1 13 13 GLN C C 13 180.859 0.20 . 1 . . . . . 422 GLN C . 27934 1 41 . 1 . 1 13 13 GLN CB C 13 28.500 0.200 . 1 . . . . . 422 GLN CB . 27934 1 42 . 1 . 1 13 13 GLN N N 15 114.453 0.20 . 1 . . . . . 422 GLN N . 27934 1 43 . 1 . 1 14 14 GLY H H 1 7.558 0.02 . 1 . . . . . 423 GLY H . 27934 1 44 . 1 . 1 14 14 GLY N N 15 113.128 0.20 . 1 . . . . . 423 GLY N . 27934 1 45 . 1 . 1 15 15 GLY H H 1 7.987 0.02 . 1 . . . . . 424 GLY H . 27934 1 46 . 1 . 1 15 15 GLY N N 15 108.224 0.20 . 1 . . . . . 424 GLY N . 27934 1 47 . 1 . 1 16 16 SER C C 13 178.308 0.20 . 1 . . . . . 425 SER C . 27934 1 48 . 1 . 1 16 16 SER CA C 13 58.200 0.200 . 1 . . . . . 425 SER CA . 27934 1 49 . 1 . 1 16 16 SER CB C 13 62.300 0.200 . 1 . . . . . 425 SER CB . 27934 1 50 . 1 . 1 17 17 GLU H H 1 8.255 0.02 . 1 . . . . . 426 GLU H . 27934 1 51 . 1 . 1 17 17 GLU CA C 13 56.200 0.200 . 1 . . . . . 426 GLU CA . 27934 1 52 . 1 . 1 17 17 GLU CB C 13 29.100 0.200 . 1 . . . . . 426 GLU CB . 27934 1 53 . 1 . 1 17 17 GLU N N 15 118.264 0.20 . 1 . . . . . 426 GLU N . 27934 1 54 . 1 . 1 18 18 GLN H H 1 8.264 0.02 . 1 . . . . . 427 GLN H . 27934 1 55 . 1 . 1 18 18 GLN CB C 13 29.000 0.200 . 1 . . . . . 427 GLN CB . 27934 1 56 . 1 . 1 18 18 GLN N N 15 120.531 0.20 . 1 . . . . . 427 GLN N . 27934 1 57 . 1 . 1 19 19 GLU H H 1 7.948 0.02 . 1 . . . . . 428 GLU H . 27934 1 58 . 1 . 1 19 19 GLU C C 13 176.935 0.20 . 1 . . . . . 428 GLU C . 27934 1 59 . 1 . 1 19 19 GLU CA C 13 54.400 0.200 . 1 . . . . . 428 GLU CA . 27934 1 60 . 1 . 1 19 19 GLU CB C 13 31.200 0.200 . 1 . . . . . 428 GLU CB . 27934 1 61 . 1 . 1 19 19 GLU N N 15 124.341 0.20 . 1 . . . . . 428 GLU N . 27934 1 62 . 1 . 1 20 20 ILE H H 1 8.347 0.02 . 1 . . . . . 429 ILE H . 27934 1 63 . 1 . 1 20 20 ILE CA C 13 60.900 0.200 . 1 . . . . . 429 ILE CA . 27934 1 64 . 1 . 1 20 20 ILE CB C 13 39.300 0.200 . 1 . . . . . 429 ILE CB . 27934 1 65 . 1 . 1 20 20 ILE N N 15 121.718 0.20 . 1 . . . . . 429 ILE N . 27934 1 66 . 1 . 1 21 21 VAL H H 1 9.023 0.02 . 1 . . . . . 430 VAL H . 27934 1 67 . 1 . 1 21 21 VAL CA C 13 61.000 0.200 . 1 . . . . . 430 VAL CA . 27934 1 68 . 1 . 1 21 21 VAL CB C 13 35.000 0.200 . 1 . . . . . 430 VAL CB . 27934 1 69 . 1 . 1 21 21 VAL N N 15 130.478 0.20 . 1 . . . . . 430 VAL N . 27934 1 70 . 1 . 1 22 22 ASN H H 1 8.093 0.02 . 1 . . . . . 431 ASN H . 27934 1 71 . 1 . 1 22 22 ASN CB C 13 39.500 0.200 . 1 . . . . . 431 ASN CB . 27934 1 72 . 1 . 1 22 22 ASN N N 15 125.281 0.20 . 1 . . . . . 431 ASN N . 27934 1 73 . 1 . 1 23 23 LEU H H 1 9.422 0.02 . 1 . . . . . 432 LEU H . 27934 1 74 . 1 . 1 23 23 LEU CA C 13 52.900 0.200 . 1 . . . . . 432 LEU CA . 27934 1 75 . 1 . 1 23 23 LEU CB C 13 45.800 0.200 . 1 . . . . . 432 LEU CB . 27934 1 76 . 1 . 1 23 23 LEU N N 15 126.908 0.20 . 1 . . . . . 432 LEU N . 27934 1 77 . 1 . 1 24 24 PHE H H 1 8.511 0.02 . 1 . . . . . 433 PHE H . 27934 1 78 . 1 . 1 24 24 PHE CB C 13 40.000 0.200 . 1 . . . . . 433 PHE CB . 27934 1 79 . 1 . 1 24 24 PHE N N 15 125.289 0.20 . 1 . . . . . 433 PHE N . 27934 1 80 . 1 . 1 26 26 PRO C C 13 180.427 0.20 . 1 . . . . . 435 PRO C . 27934 1 81 . 1 . 1 26 26 PRO CA C 13 63.300 0.200 . 1 . . . . . 435 PRO CA . 27934 1 82 . 1 . 1 27 27 THR H H 1 7.415 0.02 . 1 . . . . . 436 THR H . 27934 1 83 . 1 . 1 27 27 THR C C 13 174.816 0.20 . 1 . . . . . 436 THR C . 27934 1 84 . 1 . 1 27 27 THR N N 15 112.959 0.20 . 1 . . . . . 436 THR N . 27934 1 85 . 1 . 1 28 28 GLN H H 1 8.190 0.02 . 1 . . . . . 437 GLN H . 27934 1 86 . 1 . 1 28 28 GLN CA C 13 57.400 0.200 . 1 . . . . . 437 GLN CA . 27934 1 87 . 1 . 1 28 28 GLN CB C 13 26.900 0.200 . 1 . . . . . 437 GLN CB . 27934 1 88 . 1 . 1 28 28 GLN N N 15 122.492 0.20 . 1 . . . . . 437 GLN N . 27934 1 89 . 1 . 1 29 29 ALA H H 1 7.650 0.02 . 1 . . . . . 438 ALA H . 27934 1 90 . 1 . 1 29 29 ALA C C 13 177.128 0.20 . 1 . . . . . 438 ALA C . 27934 1 91 . 1 . 1 29 29 ALA CA C 13 51.300 0.200 . 1 . . . . . 438 ALA CA . 27934 1 92 . 1 . 1 29 29 ALA CB C 13 19.000 0.200 . 1 . . . . . 438 ALA CB . 27934 1 93 . 1 . 1 29 29 ALA N N 15 119.937 0.20 . 1 . . . . . 438 ALA N . 27934 1 94 . 1 . 1 30 30 VAL H H 1 7.219 0.02 . 1 . . . . . 439 VAL H . 27934 1 95 . 1 . 1 30 30 VAL CA C 13 66.700 0.200 . 1 . . . . . 439 VAL CA . 27934 1 96 . 1 . 1 30 30 VAL CB C 13 30.600 0.200 . 1 . . . . . 439 VAL CB . 27934 1 97 . 1 . 1 30 30 VAL N N 15 119.488 0.20 . 1 . . . . . 439 VAL N . 27934 1 98 . 1 . 1 31 31 GLY C C 13 176.647 0.20 . 1 . . . . . 440 GLY C . 27934 1 99 . 1 . 1 31 31 GLY CA C 13 46.900 0.200 . 1 . . . . . 440 GLY CA . 27934 1 100 . 1 . 1 32 32 ALA H H 1 7.741 0.02 . 1 . . . . . 441 ALA H . 27934 1 101 . 1 . 1 32 32 ALA C C 13 178.831 0.20 . 1 . . . . . 441 ALA C . 27934 1 102 . 1 . 1 32 32 ALA CA C 13 53.300 0.200 . 1 . . . . . 441 ALA CA . 27934 1 103 . 1 . 1 32 32 ALA CB C 13 17.500 0.200 . 1 . . . . . 441 ALA CB . 27934 1 104 . 1 . 1 32 32 ALA N N 15 124.328 0.20 . 1 . . . . . 441 ALA N . 27934 1 105 . 1 . 1 33 33 ILE H H 1 7.462 0.02 . 1 . . . . . 442 ILE H . 27934 1 106 . 1 . 1 33 33 ILE C C 13 177.167 0.20 . 1 . . . . . 442 ILE C . 27934 1 107 . 1 . 1 33 33 ILE CA C 13 60.700 0.200 . 1 . . . . . 442 ILE CA . 27934 1 108 . 1 . 1 33 33 ILE N N 15 115.623 0.20 . 1 . . . . . 442 ILE N . 27934 1 109 . 1 . 1 34 34 ILE H H 1 8.444 0.02 . 1 . . . . . 443 ILE H . 27934 1 110 . 1 . 1 34 34 ILE C C 13 178.608 0.20 . 1 . . . . . 443 ILE C . 27934 1 111 . 1 . 1 34 34 ILE CA C 13 64.300 0.200 . 1 . . . . . 443 ILE CA . 27934 1 112 . 1 . 1 34 34 ILE N N 15 108.273 0.20 . 1 . . . . . 443 ILE N . 27934 1 113 . 1 . 1 35 35 GLY H H 1 7.892 0.02 . 1 . . . . . 444 GLY H . 27934 1 114 . 1 . 1 35 35 GLY CA C 13 43.600 0.200 . 1 . . . . . 444 GLY CA . 27934 1 115 . 1 . 1 35 35 GLY N N 15 106.877 0.20 . 1 . . . . . 444 GLY N . 27934 1 116 . 1 . 1 36 36 LYS H H 1 9.002 0.02 . 1 . . . . . 445 LYS H . 27934 1 117 . 1 . 1 36 36 LYS CA C 13 54.700 0.200 . 1 . . . . . 445 LYS CA . 27934 1 118 . 1 . 1 36 36 LYS CE C 13 42.100 0.200 . 1 . . . . . 445 LYS CE . 27934 1 119 . 1 . 1 36 36 LYS N N 15 120.533 0.20 . 1 . . . . . 445 LYS N . 27934 1 120 . 1 . 1 37 37 LYS CE C 13 42.100 0.200 . 1 . . . . . 446 LYS CE . 27934 1 121 . 1 . 1 38 38 GLY H H 1 9.330 0.02 . 1 . . . . . 447 GLY H . 27934 1 122 . 1 . 1 38 38 GLY C C 13 175.982 0.20 . 1 . . . . . 447 GLY C . 27934 1 123 . 1 . 1 38 38 GLY N N 15 126.108 0.20 . 1 . . . . . 447 GLY N . 27934 1 124 . 1 . 1 39 39 ALA H H 1 7.652 0.02 . 1 . . . . . 448 ALA H . 27934 1 125 . 1 . 1 39 39 ALA C C 13 176.928 0.20 . 1 . . . . . 448 ALA C . 27934 1 126 . 1 . 1 39 39 ALA CA C 13 48.900 0.200 . 1 . . . . . 448 ALA CA . 27934 1 127 . 1 . 1 39 39 ALA CB C 13 21.400 0.200 . 1 . . . . . 448 ALA CB . 27934 1 128 . 1 . 1 39 39 ALA N N 15 120.259 0.20 . 1 . . . . . 448 ALA N . 27934 1 129 . 1 . 1 40 40 HIS H H 1 9.754 0.02 . 1 . . . . . 449 HIS H . 27934 1 130 . 1 . 1 40 40 HIS CB C 13 31.200 0.200 . 1 . . . . . 449 HIS CB . 27934 1 131 . 1 . 1 40 40 HIS N N 15 120.083 0.20 . 1 . . . . . 449 HIS N . 27934 1 132 . 1 . 1 41 41 ILE H H 1 8.094 0.02 . 1 . . . . . 450 ILE H . 27934 1 133 . 1 . 1 41 41 ILE C C 13 176.572 0.20 . 1 . . . . . 450 ILE C . 27934 1 134 . 1 . 1 41 41 ILE CA C 13 61.000 0.200 . 1 . . . . . 450 ILE CA . 27934 1 135 . 1 . 1 41 41 ILE CB C 13 38.300 0.200 . 1 . . . . . 450 ILE CB . 27934 1 136 . 1 . 1 41 41 ILE N N 15 122.895 0.20 . 1 . . . . . 450 ILE N . 27934 1 137 . 1 . 1 42 42 LYS H H 1 9.306 0.02 . 1 . . . . . 451 LYS H . 27934 1 138 . 1 . 1 42 42 LYS CB C 13 32.200 0.200 . 1 . . . . . 451 LYS CB . 27934 1 139 . 1 . 1 42 42 LYS CE C 13 42.100 0.200 . 1 . . . . . 451 LYS CE . 27934 1 140 . 1 . 1 42 42 LYS N N 15 130.974 0.20 . 1 . . . . . 451 LYS N . 27934 1 141 . 1 . 1 43 43 GLN H H 1 7.709 0.02 . 1 . . . . . 452 GLN H . 27934 1 142 . 1 . 1 43 43 GLN CB C 13 28.400 0.200 . 1 . . . . . 452 GLN CB . 27934 1 143 . 1 . 1 43 43 GLN N N 15 114.458 0.20 . 1 . . . . . 452 GLN N . 27934 1 144 . 1 . 1 44 44 LEU CB C 13 41.800 0.200 . 1 . . . . . 453 LEU CB . 27934 1 145 . 1 . 1 45 45 ALA H H 1 8.342 0.02 . 1 . . . . . 454 ALA H . 27934 1 146 . 1 . 1 45 45 ALA CA C 13 55.400 0.200 . 1 . . . . . 454 ALA CA . 27934 1 147 . 1 . 1 45 45 ALA CB C 13 17.600 0.200 . 1 . . . . . 454 ALA CB . 27934 1 148 . 1 . 1 45 45 ALA N N 15 126.498 0.20 . 1 . . . . . 454 ALA N . 27934 1 149 . 1 . 1 46 46 ARG H H 1 7.575 0.02 . 1 . . . . . 455 ARG H . 27934 1 150 . 1 . 1 46 46 ARG C C 13 179.250 0.20 . 1 . . . . . 455 ARG C . 27934 1 151 . 1 . 1 46 46 ARG CA C 13 58.400 0.200 . 1 . . . . . 455 ARG CA . 27934 1 152 . 1 . 1 46 46 ARG CD C 13 43.300 0.200 . 1 . . . . . 455 ARG CD . 27934 1 153 . 1 . 1 46 46 ARG N N 15 118.175 0.20 . 1 . . . . . 455 ARG N . 27934 1 154 . 1 . 1 47 47 PHE H H 1 7.834 0.02 . 1 . . . . . 456 PHE H . 27934 1 155 . 1 . 1 47 47 PHE C C 13 175.972 0.20 . 1 . . . . . 456 PHE C . 27934 1 156 . 1 . 1 47 47 PHE CA C 13 58.900 0.200 . 1 . . . . . 456 PHE CA . 27934 1 157 . 1 . 1 47 47 PHE CB C 13 36.500 0.200 . 1 . . . . . 456 PHE CB . 27934 1 158 . 1 . 1 47 47 PHE N N 15 119.780 0.20 . 1 . . . . . 456 PHE N . 27934 1 159 . 1 . 1 48 48 ALA H H 1 8.728 0.02 . 1 . . . . . 457 ALA H . 27934 1 160 . 1 . 1 48 48 ALA CA C 13 50.200 0.200 . 1 . . . . . 457 ALA CA . 27934 1 161 . 1 . 1 48 48 ALA CB C 13 17.500 0.200 . 1 . . . . . 457 ALA CB . 27934 1 162 . 1 . 1 48 48 ALA N N 15 133.436 0.20 . 1 . . . . . 457 ALA N . 27934 1 163 . 1 . 1 50 50 ALA H H 1 7.947 0.02 . 1 . . . . . 459 ALA H . 27934 1 164 . 1 . 1 50 50 ALA C C 13 176.224 0.20 . 1 . . . . . 459 ALA C . 27934 1 165 . 1 . 1 50 50 ALA CA C 13 48.900 0.200 . 1 . . . . . 459 ALA CA . 27934 1 166 . 1 . 1 50 50 ALA N N 15 116.817 0.20 . 1 . . . . . 459 ALA N . 27934 1 167 . 1 . 1 51 51 SER H H 1 8.548 0.02 . 1 . . . . . 460 SER H . 27934 1 168 . 1 . 1 51 51 SER CA C 13 56.700 0.200 . 1 . . . . . 460 SER CA . 27934 1 169 . 1 . 1 51 51 SER CB C 13 63.500 0.200 . 1 . . . . . 460 SER CB . 27934 1 170 . 1 . 1 51 51 SER N N 15 114.597 0.20 . 1 . . . . . 460 SER N . 27934 1 171 . 1 . 1 52 52 ILE H H 1 8.451 0.02 . 1 . . . . . 461 ILE H . 27934 1 172 . 1 . 1 52 52 ILE CA C 13 59.900 0.200 . 1 . . . . . 461 ILE CA . 27934 1 173 . 1 . 1 52 52 ILE CB C 13 39.400 0.200 . 1 . . . . . 461 ILE CB . 27934 1 174 . 1 . 1 52 52 ILE N N 15 125.726 0.20 . 1 . . . . . 461 ILE N . 27934 1 175 . 1 . 1 53 53 LYS H H 1 8.598 0.02 . 1 . . . . . 462 LYS H . 27934 1 176 . 1 . 1 53 53 LYS C C 13 173.890 0.20 . 1 . . . . . 462 LYS C . 27934 1 177 . 1 . 1 53 53 LYS CE C 13 42.100 0.200 . 1 . . . . . 462 LYS CE . 27934 1 178 . 1 . 1 53 53 LYS N N 15 126.341 0.20 . 1 . . . . . 462 LYS N . 27934 1 179 . 1 . 1 54 54 ILE H H 1 8.615 0.02 . 1 . . . . . 463 ILE H . 27934 1 180 . 1 . 1 54 54 ILE N N 15 126.748 0.20 . 1 . . . . . 463 ILE N . 27934 1 181 . 1 . 1 56 56 PRO C C 13 176.207 0.20 . 1 . . . . . 465 PRO C . 27934 1 182 . 1 . 1 56 56 PRO CA C 13 62.400 0.200 . 1 . . . . . 465 PRO CA . 27934 1 183 . 1 . 1 56 56 PRO CB C 13 31.100 0.200 . 1 . . . . . 465 PRO CB . 27934 1 184 . 1 . 1 57 57 ALA H H 1 8.571 0.02 . 1 . . . . . 466 ALA H . 27934 1 185 . 1 . 1 57 57 ALA C C 13 178.560 0.20 . 1 . . . . . 466 ALA C . 27934 1 186 . 1 . 1 57 57 ALA CA C 13 51.800 0.200 . 1 . . . . . 466 ALA CA . 27934 1 187 . 1 . 1 57 57 ALA CB C 13 18.600 0.200 . 1 . . . . . 466 ALA CB . 27934 1 188 . 1 . 1 57 57 ALA N N 15 125.571 0.20 . 1 . . . . . 466 ALA N . 27934 1 189 . 1 . 1 58 58 GLU H H 1 8.853 0.02 . 1 . . . . . 467 GLU H . 27934 1 190 . 1 . 1 58 58 GLU C C 13 175.993 0.20 . 1 . . . . . 467 GLU C . 27934 1 191 . 1 . 1 58 58 GLU CA C 13 56.800 0.200 . 1 . . . . . 467 GLU CA . 27934 1 192 . 1 . 1 58 58 GLU CB C 13 29.600 0.200 . 1 . . . . . 467 GLU CB . 27934 1 193 . 1 . 1 58 58 GLU N N 15 122.612 0.20 . 1 . . . . . 467 GLU N . 27934 1 194 . 1 . 1 59 59 GLY H H 1 7.507 0.02 . 1 . . . . . 468 GLY H . 27934 1 195 . 1 . 1 59 59 GLY CA C 13 44.200 0.200 . 1 . . . . . 468 GLY CA . 27934 1 196 . 1 . 1 59 59 GLY N N 15 107.026 0.20 . 1 . . . . . 468 GLY N . 27934 1 197 . 1 . 1 60 60 PRO C C 13 177.141 0.20 . 1 . . . . . 469 PRO C . 27934 1 198 . 1 . 1 60 60 PRO CA C 13 63.400 0.200 . 1 . . . . . 469 PRO CA . 27934 1 199 . 1 . 1 60 60 PRO CB C 13 31.100 0.200 . 1 . . . . . 469 PRO CB . 27934 1 200 . 1 . 1 61 61 ASP H H 1 8.440 0.02 . 1 . . . . . 470 ASP H . 27934 1 201 . 1 . 1 61 61 ASP C C 13 175.979 0.20 . 1 . . . . . 470 ASP C . 27934 1 202 . 1 . 1 61 61 ASP CA C 13 53.400 0.200 . 1 . . . . . 470 ASP CA . 27934 1 203 . 1 . 1 61 61 ASP CB C 13 40.000 0.200 . 1 . . . . . 470 ASP CB . 27934 1 204 . 1 . 1 61 61 ASP N N 15 118.454 0.20 . 1 . . . . . 470 ASP N . 27934 1 205 . 1 . 1 62 62 VAL H H 1 7.227 0.02 . 1 . . . . . 471 VAL H . 27934 1 206 . 1 . 1 62 62 VAL CA C 13 63.300 0.200 . 1 . . . . . 471 VAL CA . 27934 1 207 . 1 . 1 62 62 VAL CB C 13 31.700 0.200 . 1 . . . . . 471 VAL CB . 27934 1 208 . 1 . 1 62 62 VAL N N 15 117.250 0.20 . 1 . . . . . 471 VAL N . 27934 1 209 . 1 . 1 63 63 SER H H 1 7.570 0.02 . 1 . . . . . 472 SER H . 27934 1 210 . 1 . 1 63 63 SER C C 13 174.901 0.20 . 1 . . . . . 472 SER C . 27934 1 211 . 1 . 1 63 63 SER CA C 13 59.400 0.200 . 1 . . . . . 472 SER CA . 27934 1 212 . 1 . 1 63 63 SER CB C 13 63.300 0.200 . 1 . . . . . 472 SER CB . 27934 1 213 . 1 . 1 63 63 SER N N 15 128.109 0.20 . 1 . . . . . 472 SER N . 27934 1 214 . 1 . 1 64 64 GLU H H 1 7.529 0.02 . 1 . . . . . 473 GLU H . 27934 1 215 . 1 . 1 64 64 GLU C C 13 175.058 0.20 . 1 . . . . . 473 GLU C . 27934 1 216 . 1 . 1 64 64 GLU CA C 13 54.900 0.200 . 1 . . . . . 473 GLU CA . 27934 1 217 . 1 . 1 64 64 GLU CB C 13 32.800 0.200 . 1 . . . . . 473 GLU CB . 27934 1 218 . 1 . 1 64 64 GLU N N 15 121.420 0.20 . 1 . . . . . 473 GLU N . 27934 1 219 . 1 . 1 65 65 ARG H H 1 8.987 0.02 . 1 . . . . . 474 ARG H . 27934 1 220 . 1 . 1 65 65 ARG CA C 13 53.600 0.200 . 1 . . . . . 474 ARG CA . 27934 1 221 . 1 . 1 65 65 ARG CB C 13 35.400 0.200 . 1 . . . . . 474 ARG CB . 27934 1 222 . 1 . 1 65 65 ARG CD C 13 43.300 0.200 . 1 . . . . . 474 ARG CD . 27934 1 223 . 1 . 1 65 65 ARG N N 15 119.342 0.20 . 1 . . . . . 474 ARG N . 27934 1 224 . 1 . 1 66 66 MET H H 1 8.712 0.02 . 1 . . . . . 475 MET H . 27934 1 225 . 1 . 1 66 66 MET C C 13 173.407 0.20 . 1 . . . . . 475 MET C . 27934 1 226 . 1 . 1 66 66 MET CA C 13 54.800 0.200 . 1 . . . . . 475 MET CA . 27934 1 227 . 1 . 1 66 66 MET CB C 13 35.300 0.200 . 1 . . . . . 475 MET CB . 27934 1 228 . 1 . 1 66 66 MET N N 15 123.509 0.20 . 1 . . . . . 475 MET N . 27934 1 229 . 1 . 1 67 67 VAL H H 1 9.016 0.02 . 1 . . . . . 476 VAL H . 27934 1 230 . 1 . 1 67 67 VAL CA C 13 60.200 0.200 . 1 . . . . . 476 VAL CA . 27934 1 231 . 1 . 1 67 67 VAL CB C 13 31.800 0.200 . 1 . . . . . 476 VAL CB . 27934 1 232 . 1 . 1 67 67 VAL N N 15 127.058 0.20 . 1 . . . . . 476 VAL N . 27934 1 233 . 1 . 1 69 69 ILE H H 1 6.798 0.02 . 1 . . . . . 478 ILE H . 27934 1 234 . 1 . 1 69 69 ILE C C 13 176.196 0.20 . 1 . . . . . 478 ILE C . 27934 1 235 . 1 . 1 69 69 ILE CA C 13 59.900 0.200 . 1 . . . . . 478 ILE CA . 27934 1 236 . 1 . 1 69 69 ILE CB C 13 38.400 0.200 . 1 . . . . . 478 ILE CB . 27934 1 237 . 1 . 1 69 69 ILE N N 15 118.158 0.20 . 1 . . . . . 478 ILE N . 27934 1 238 . 1 . 1 70 70 THR H H 1 9.158 0.02 . 1 . . . . . 479 THR H . 27934 1 239 . 1 . 1 70 70 THR C C 13 174.350 0.20 . 1 . . . . . 479 THR C . 27934 1 240 . 1 . 1 70 70 THR CA C 13 60.700 0.200 . 1 . . . . . 479 THR CA . 27934 1 241 . 1 . 1 70 70 THR CB C 13 69.900 0.200 . 1 . . . . . 479 THR CB . 27934 1 242 . 1 . 1 70 70 THR N N 15 126.468 0.20 . 1 . . . . . 479 THR N . 27934 1 243 . 1 . 1 71 71 GLY H H 1 9.021 0.02 . 1 . . . . . 480 GLY H . 27934 1 244 . 1 . 1 71 71 GLY CA C 13 45.200 0.200 . 1 . . . . . 480 GLY CA . 27934 1 245 . 1 . 1 71 71 GLY N N 15 113.554 0.20 . 1 . . . . . 480 GLY N . 27934 1 246 . 1 . 1 73 73 PRO CB C 13 30.100 0.200 . 1 . . . . . 482 PRO CB . 27934 1 247 . 1 . 1 74 74 GLU H H 1 7.585 0.02 . 1 . . . . . 483 GLU H . 27934 1 248 . 1 . 1 74 74 GLU C C 13 174.095 0.20 . 1 . . . . . 483 GLU C . 27934 1 249 . 1 . 1 74 74 GLU CA C 13 59.000 0.200 . 1 . . . . . 483 GLU CA . 27934 1 250 . 1 . 1 74 74 GLU N N 15 122.609 0.20 . 1 . . . . . 483 GLU N . 27934 1 251 . 1 . 1 75 75 ALA H H 1 8.164 0.02 . 1 . . . . . 484 ALA H . 27934 1 252 . 1 . 1 75 75 ALA C C 13 176.421 0.20 . 1 . . . . . 484 ALA C . 27934 1 253 . 1 . 1 75 75 ALA CA C 13 50.800 0.200 . 1 . . . . . 484 ALA CA . 27934 1 254 . 1 . 1 75 75 ALA CB C 13 18.700 0.200 . 1 . . . . . 484 ALA CB . 27934 1 255 . 1 . 1 75 75 ALA N N 15 124.391 0.20 . 1 . . . . . 484 ALA N . 27934 1 256 . 1 . 1 76 76 GLN H H 1 8.615 0.02 . 1 . . . . . 485 GLN H . 27934 1 257 . 1 . 1 76 76 GLN CA C 13 55.400 0.200 . 1 . . . . . 485 GLN CA . 27934 1 258 . 1 . 1 76 76 GLN CB C 13 28.400 0.200 . 1 . . . . . 485 GLN CB . 27934 1 259 . 1 . 1 76 76 GLN N N 15 121.833 0.20 . 1 . . . . . 485 GLN N . 27934 1 260 . 1 . 1 77 77 PHE H H 1 7.897 0.02 . 1 . . . . . 486 PHE H . 27934 1 261 . 1 . 1 77 77 PHE C C 13 175.101 0.20 . 1 . . . . . 486 PHE C . 27934 1 262 . 1 . 1 77 77 PHE CA C 13 54.200 0.200 . 1 . . . . . 486 PHE CA . 27934 1 263 . 1 . 1 77 77 PHE N N 15 128.995 0.20 . 1 . . . . . 486 PHE N . 27934 1 264 . 1 . 1 78 78 LYS H H 1 7.803 0.02 . 1 . . . . . 487 LYS H . 27934 1 265 . 1 . 1 78 78 LYS C C 13 174.141 0.20 . 1 . . . . . 487 LYS C . 27934 1 266 . 1 . 1 78 78 LYS CB C 13 31.100 0.200 . 1 . . . . . 487 LYS CB . 27934 1 267 . 1 . 1 78 78 LYS CE C 13 42.100 0.200 . 1 . . . . . 487 LYS CE . 27934 1 268 . 1 . 1 78 78 LYS N N 15 116.816 0.20 . 1 . . . . . 487 LYS N . 27934 1 269 . 1 . 1 79 79 ALA H H 1 8.725 0.02 . 1 . . . . . 488 ALA H . 27934 1 270 . 1 . 1 79 79 ALA N N 15 123.798 0.20 . 1 . . . . . 488 ALA N . 27934 1 271 . 1 . 1 80 80 GLN H H 1 8.342 0.02 . 1 . . . . . 489 GLN H . 27934 1 272 . 1 . 1 80 80 GLN CB C 13 27.900 0.200 . 1 . . . . . 489 GLN CB . 27934 1 273 . 1 . 1 80 80 GLN N N 15 126.498 0.20 . 1 . . . . . 489 GLN N . 27934 1 274 . 1 . 1 81 81 GLY H H 1 7.342 0.02 . 1 . . . . . 490 GLY H . 27934 1 275 . 1 . 1 81 81 GLY N N 15 111.333 0.20 . 1 . . . . . 490 GLY N . 27934 1 276 . 1 . 1 82 82 ARG C C 13 180.823 0.20 . 1 . . . . . 491 ARG C . 27934 1 277 . 1 . 1 82 82 ARG CB C 13 28.500 0.200 . 1 . . . . . 491 ARG CB . 27934 1 278 . 1 . 1 82 82 ARG CD C 13 43.300 0.200 . 1 . . . . . 491 ARG CD . 27934 1 279 . 1 . 1 83 83 ILE H H 1 6.801 0.02 . 1 . . . . . 492 ILE H . 27934 1 280 . 1 . 1 83 83 ILE CA C 13 61.000 0.200 . 1 . . . . . 492 ILE CA . 27934 1 281 . 1 . 1 83 83 ILE CB C 13 38.300 0.200 . 1 . . . . . 492 ILE CB . 27934 1 282 . 1 . 1 83 83 ILE N N 15 114.466 0.20 . 1 . . . . . 492 ILE N . 27934 1 283 . 1 . 1 84 84 PHE H H 1 6.804 0.02 . 1 . . . . . 493 PHE H . 27934 1 284 . 1 . 1 84 84 PHE CB C 13 45.400 0.200 . 1 . . . . . 493 PHE CB . 27934 1 285 . 1 . 1 84 84 PHE N N 15 112.259 0.20 . 1 . . . . . 493 PHE N . 27934 1 286 . 1 . 1 85 85 GLY H H 1 7.987 0.02 . 1 . . . . . 494 GLY H . 27934 1 287 . 1 . 1 85 85 GLY N N 15 108.224 0.20 . 1 . . . . . 494 GLY N . 27934 1 288 . 1 . 1 86 86 LYS CE C 13 42.100 0.200 . 1 . . . . . 495 LYS CE . 27934 1 289 . 1 . 1 88 88 LYS C C 13 179.418 0.20 . 1 . . . . . 497 LYS C . 27934 1 290 . 1 . 1 88 88 LYS CA C 13 58.900 0.200 . 1 . . . . . 497 LYS CA . 27934 1 291 . 1 . 1 88 88 LYS CE C 13 42.100 0.200 . 1 . . . . . 497 LYS CE . 27934 1 292 . 1 . 1 89 89 GLU H H 1 7.604 0.02 . 1 . . . . . 498 GLU H . 27934 1 293 . 1 . 1 89 89 GLU C C 13 178.794 0.20 . 1 . . . . . 498 GLU C . 27934 1 294 . 1 . 1 89 89 GLU CA C 13 58.300 0.200 . 1 . . . . . 498 GLU CA . 27934 1 295 . 1 . 1 89 89 GLU CB C 13 29.200 0.200 . 1 . . . . . 498 GLU CB . 27934 1 296 . 1 . 1 89 89 GLU N N 15 120.076 0.20 . 1 . . . . . 498 GLU N . 27934 1 297 . 1 . 1 90 90 GLU H H 1 8.421 0.02 . 1 . . . . . 499 GLU H . 27934 1 298 . 1 . 1 90 90 GLU C C 13 177.106 0.20 . 1 . . . . . 499 GLU C . 27934 1 299 . 1 . 1 90 90 GLU CA C 13 59.600 0.200 . 1 . . . . . 499 GLU CA . 27934 1 300 . 1 . 1 90 90 GLU N N 15 120.979 0.20 . 1 . . . . . 499 GLU N . 27934 1 301 . 1 . 1 91 91 ASN H H 1 8.379 0.02 . 1 . . . . . 500 ASN H . 27934 1 302 . 1 . 1 91 91 ASN CB C 13 38.200 0.200 . 1 . . . . . 500 ASN CB . 27934 1 303 . 1 . 1 91 91 ASN N N 15 119.594 0.20 . 1 . . . . . 500 ASN N . 27934 1 304 . 1 . 1 92 92 PHE H H 1 8.028 0.02 . 1 . . . . . 501 PHE H . 27934 1 305 . 1 . 1 92 92 PHE C C 13 175.956 0.20 . 1 . . . . . 501 PHE C . 27934 1 306 . 1 . 1 92 92 PHE CA C 13 57.600 0.200 . 1 . . . . . 501 PHE CA . 27934 1 307 . 1 . 1 92 92 PHE CB C 13 38.900 0.200 . 1 . . . . . 501 PHE CB . 27934 1 308 . 1 . 1 92 92 PHE N N 15 122.736 0.20 . 1 . . . . . 501 PHE N . 27934 1 309 . 1 . 1 93 93 PHE H H 1 8.848 0.02 . 1 . . . . . 502 PHE H . 27934 1 310 . 1 . 1 93 93 PHE CA C 13 56.300 0.200 . 1 . . . . . 502 PHE CA . 27934 1 311 . 1 . 1 93 93 PHE N N 15 117.274 0.20 . 1 . . . . . 502 PHE N . 27934 1 312 . 1 . 1 94 94 ASN H H 1 7.968 0.02 . 1 . . . . . 503 ASN H . 27934 1 313 . 1 . 1 94 94 ASN N N 15 122.647 0.20 . 1 . . . . . 503 ASN N . 27934 1 314 . 1 . 1 95 95 PRO C C 13 177.765 0.20 . 1 . . . . . 504 PRO C . 27934 1 315 . 1 . 1 95 95 PRO CA C 13 64.300 0.200 . 1 . . . . . 504 PRO CA . 27934 1 316 . 1 . 1 96 96 LYS H H 1 8.288 0.02 . 1 . . . . . 505 LYS H . 27934 1 317 . 1 . 1 96 96 LYS C C 13 176.393 0.20 . 1 . . . . . 505 LYS C . 27934 1 318 . 1 . 1 96 96 LYS CA C 13 56.300 0.200 . 1 . . . . . 505 LYS CA . 27934 1 319 . 1 . 1 96 96 LYS CB C 13 31.000 0.200 . 1 . . . . . 505 LYS CB . 27934 1 320 . 1 . 1 96 96 LYS CE C 13 42.100 0.200 . 1 . . . . . 505 LYS CE . 27934 1 321 . 1 . 1 96 96 LYS N N 15 116.683 0.20 . 1 . . . . . 505 LYS N . 27934 1 322 . 1 . 1 97 97 GLU H H 1 7.799 0.02 . 1 . . . . . 506 GLU H . 27934 1 323 . 1 . 1 97 97 GLU C C 13 177.097 0.20 . 1 . . . . . 506 GLU C . 27934 1 324 . 1 . 1 97 97 GLU CB C 13 31.200 0.200 . 1 . . . . . 506 GLU CB . 27934 1 325 . 1 . 1 97 97 GLU N N 15 120.233 0.20 . 1 . . . . . 506 GLU N . 27934 1 326 . 1 . 1 98 98 GLU H H 1 8.131 0.02 . 1 . . . . . 507 GLU H . 27934 1 327 . 1 . 1 98 98 GLU C C 13 176.705 0.20 . 1 . . . . . 507 GLU C . 27934 1 328 . 1 . 1 98 98 GLU CA C 13 54.300 0.200 . 1 . . . . . 507 GLU CA . 27934 1 329 . 1 . 1 98 98 GLU CB C 13 31.100 0.200 . 1 . . . . . 507 GLU CB . 27934 1 330 . 1 . 1 98 98 GLU N N 15 120.777 0.20 . 1 . . . . . 507 GLU N . 27934 1 331 . 1 . 1 99 99 VAL H H 1 8.926 0.02 . 1 . . . . . 508 VAL H . 27934 1 332 . 1 . 1 99 99 VAL CA C 13 58.900 0.200 . 1 . . . . . 508 VAL CA . 27934 1 333 . 1 . 1 99 99 VAL N N 15 114.618 0.20 . 1 . . . . . 508 VAL N . 27934 1 334 . 1 . 1 100 100 LYS H H 1 8.662 0.02 . 1 . . . . . 509 LYS H . 27934 1 335 . 1 . 1 100 100 LYS C C 13 176.705 0.20 . 1 . . . . . 509 LYS C . 27934 1 336 . 1 . 1 100 100 LYS CA C 13 54.300 0.200 . 1 . . . . . 509 LYS CA . 27934 1 337 . 1 . 1 100 100 LYS CB C 13 31.100 0.200 . 1 . . . . . 509 LYS CB . 27934 1 338 . 1 . 1 100 100 LYS CE C 13 42.100 0.200 . 1 . . . . . 509 LYS CE . 27934 1 339 . 1 . 1 100 100 LYS N N 15 122.875 0.20 . 1 . . . . . 509 LYS N . 27934 1 340 . 1 . 1 101 101 LEU H H 1 8.926 0.02 . 1 . . . . . 510 LEU H . 27934 1 341 . 1 . 1 101 101 LEU CA C 13 56.400 0.200 . 1 . . . . . 510 LEU CA . 27934 1 342 . 1 . 1 101 101 LEU N N 15 114.618 0.20 . 1 . . . . . 510 LEU N . 27934 1 343 . 1 . 1 102 102 GLU H H 1 8.344 0.02 . 1 . . . . . 511 GLU H . 27934 1 344 . 1 . 1 102 102 GLU N N 15 121.139 0.20 . 1 . . . . . 511 GLU N . 27934 1 345 . 1 . 1 103 103 ALA H H 1 7.570 0.02 . 1 . . . . . 512 ALA H . 27934 1 346 . 1 . 1 103 103 ALA C C 13 174.966 0.20 . 1 . . . . . 512 ALA C . 27934 1 347 . 1 . 1 103 103 ALA N N 15 128.109 0.20 . 1 . . . . . 512 ALA N . 27934 1 348 . 1 . 1 104 104 HIS H H 1 6.631 0.02 . 1 . . . . . 513 HIS H . 27934 1 349 . 1 . 1 104 104 HIS CB C 13 27.600 0.200 . 1 . . . . . 513 HIS CB . 27934 1 350 . 1 . 1 104 104 HIS N N 15 108.105 0.20 . 1 . . . . . 513 HIS N . 27934 1 351 . 1 . 1 105 105 ILE H H 1 7.457 0.02 . 1 . . . . . 514 ILE H . 27934 1 352 . 1 . 1 105 105 ILE CA C 13 59.400 0.200 . 1 . . . . . 514 ILE CA . 27934 1 353 . 1 . 1 105 105 ILE CB C 13 42.100 0.200 . 1 . . . . . 514 ILE CB . 27934 1 354 . 1 . 1 105 105 ILE N N 15 112.245 0.20 . 1 . . . . . 514 ILE N . 27934 1 355 . 1 . 1 106 106 ARG H H 1 8.841 0.02 . 1 . . . . . 515 ARG H . 27934 1 356 . 1 . 1 106 106 ARG C C 13 174.158 0.20 . 1 . . . . . 515 ARG C . 27934 1 357 . 1 . 1 106 106 ARG CA C 13 58.500 0.200 . 1 . . . . . 515 ARG CA . 27934 1 358 . 1 . 1 106 106 ARG CB C 13 30.700 0.200 . 1 . . . . . 515 ARG CB . 27934 1 359 . 1 . 1 106 106 ARG CD C 13 43.300 0.200 . 1 . . . . . 515 ARG CD . 27934 1 360 . 1 . 1 106 106 ARG N N 15 128.849 0.20 . 1 . . . . . 515 ARG N . 27934 1 361 . 1 . 1 107 107 VAL H H 1 8.952 0.02 . 1 . . . . . 516 VAL H . 27934 1 362 . 1 . 1 107 107 VAL CA C 13 60.600 0.200 . 1 . . . . . 516 VAL CA . 27934 1 363 . 1 . 1 107 107 VAL N N 15 120.318 0.20 . 1 . . . . . 516 VAL N . 27934 1 364 . 1 . 1 108 108 PRO C C 13 180.427 0.20 . 1 . . . . . 517 PRO C . 27934 1 365 . 1 . 1 109 109 SER H H 1 7.415 0.02 . 1 . . . . . 518 SER H . 27934 1 366 . 1 . 1 109 109 SER CA C 13 65.200 0.200 . 1 . . . . . 518 SER CA . 27934 1 367 . 1 . 1 109 109 SER N N 15 112.959 0.20 . 1 . . . . . 518 SER N . 27934 1 368 . 1 . 1 110 110 SER H H 1 6.804 0.02 . 1 . . . . . 519 SER H . 27934 1 369 . 1 . 1 110 110 SER CA C 13 59.900 0.200 . 1 . . . . . 519 SER CA . 27934 1 370 . 1 . 1 110 110 SER N N 15 112.259 0.20 . 1 . . . . . 519 SER N . 27934 1 371 . 1 . 1 111 111 THR H H 1 7.740 0.02 . 1 . . . . . 520 THR H . 27934 1 372 . 1 . 1 111 111 THR CA C 13 62.900 0.200 . 1 . . . . . 520 THR CA . 27934 1 373 . 1 . 1 111 111 THR CB C 13 69.000 0.200 . 1 . . . . . 520 THR CB . 27934 1 374 . 1 . 1 111 111 THR N N 15 114.596 0.20 . 1 . . . . . 520 THR N . 27934 1 375 . 1 . 1 112 112 ALA H H 1 7.470 0.02 . 1 . . . . . 521 ALA H . 27934 1 376 . 1 . 1 112 112 ALA C C 13 178.980 0.20 . 1 . . . . . 521 ALA C . 27934 1 377 . 1 . 1 112 112 ALA CA C 13 55.400 0.200 . 1 . . . . . 521 ALA CA . 27934 1 378 . 1 . 1 112 112 ALA N N 15 125.277 0.20 . 1 . . . . . 521 ALA N . 27934 1 379 . 1 . 1 113 113 GLY H H 1 8.546 0.02 . 1 . . . . . 522 GLY H . 27934 1 380 . 1 . 1 113 113 GLY N N 15 116.517 0.20 . 1 . . . . . 522 GLY N . 27934 1 381 . 1 . 1 114 114 ARG H H 1 7.637 0.02 . 1 . . . . . 523 ARG H . 27934 1 382 . 1 . 1 114 114 ARG C C 13 176.234 0.20 . 1 . . . . . 523 ARG C . 27934 1 383 . 1 . 1 114 114 ARG CA C 13 56.600 0.200 . 1 . . . . . 523 ARG CA . 27934 1 384 . 1 . 1 114 114 ARG CB C 13 29.500 0.200 . 1 . . . . . 523 ARG CB . 27934 1 385 . 1 . 1 114 114 ARG CD C 13 43.300 0.200 . 1 . . . . . 523 ARG CD . 27934 1 386 . 1 . 1 114 114 ARG N N 15 120.512 0.20 . 1 . . . . . 523 ARG N . 27934 1 387 . 1 . 1 115 115 VAL H H 1 8.066 0.02 . 1 . . . . . 524 VAL H . 27934 1 388 . 1 . 1 115 115 VAL C C 13 176.070 0.20 . 1 . . . . . 524 VAL C . 27934 1 389 . 1 . 1 115 115 VAL CA C 13 61.700 0.200 . 1 . . . . . 524 VAL CA . 27934 1 390 . 1 . 1 115 115 VAL CB C 13 31.700 0.200 . 1 . . . . . 524 VAL CB . 27934 1 391 . 1 . 1 115 115 VAL N N 15 122.608 0.20 . 1 . . . . . 524 VAL N . 27934 1 392 . 1 . 1 116 116 ILE H H 1 8.249 0.02 . 1 . . . . . 525 ILE H . 27934 1 393 . 1 . 1 116 116 ILE CA C 13 60.600 0.200 . 1 . . . . . 525 ILE CA . 27934 1 394 . 1 . 1 116 116 ILE CB C 13 40.000 0.200 . 1 . . . . . 525 ILE CB . 27934 1 395 . 1 . 1 116 116 ILE N N 15 126.325 0.20 . 1 . . . . . 525 ILE N . 27934 1 396 . 1 . 1 117 117 GLY H H 1 7.935 0.02 . 1 . . . . . 526 GLY H . 27934 1 397 . 1 . 1 117 117 GLY N N 15 108.738 0.20 . 1 . . . . . 526 GLY N . 27934 1 398 . 1 . 1 118 118 LYS CE C 13 42.100 0.200 . 1 . . . . . 527 LYS CE . 27934 1 399 . 1 . 1 119 119 GLY H H 1 7.987 0.02 . 1 . . . . . 528 GLY H . 27934 1 400 . 1 . 1 119 119 GLY N N 15 108.224 0.20 . 1 . . . . . 528 GLY N . 27934 1 401 . 1 . 1 120 120 GLY H H 1 8.140 0.02 . 1 . . . . . 529 GLY H . 27934 1 402 . 1 . 1 120 120 GLY N N 15 110.261 0.20 . 1 . . . . . 529 GLY N . 27934 1 403 . 1 . 1 121 121 LYS H H 1 9.330 0.02 . 1 . . . . . 530 LYS H . 27934 1 404 . 1 . 1 121 121 LYS CA C 13 57.400 0.200 . 1 . . . . . 530 LYS CA . 27934 1 405 . 1 . 1 121 121 LYS CE C 13 42.100 0.200 . 1 . . . . . 530 LYS CE . 27934 1 406 . 1 . 1 121 121 LYS N N 15 126.108 0.20 . 1 . . . . . 530 LYS N . 27934 1 407 . 1 . 1 122 122 THR H H 1 8.069 0.02 . 1 . . . . . 531 THR H . 27934 1 408 . 1 . 1 122 122 THR C C 13 174.770 0.20 . 1 . . . . . 531 THR C . 27934 1 409 . 1 . 1 122 122 THR CA C 13 61.000 0.200 . 1 . . . . . 531 THR CA . 27934 1 410 . 1 . 1 122 122 THR N N 15 122.301 0.20 . 1 . . . . . 531 THR N . 27934 1 411 . 1 . 1 123 123 VAL H H 1 8.915 0.02 . 1 . . . . . 532 VAL H . 27934 1 412 . 1 . 1 123 123 VAL C C 13 175.720 0.20 . 1 . . . . . 532 VAL C . 27934 1 413 . 1 . 1 123 123 VAL CB C 13 31.700 0.200 . 1 . . . . . 532 VAL CB . 27934 1 414 . 1 . 1 123 123 VAL N N 15 124.981 0.20 . 1 . . . . . 532 VAL N . 27934 1 415 . 1 . 1 124 124 ASN H H 1 8.194 0.02 . 1 . . . . . 533 ASN H . 27934 1 416 . 1 . 1 124 124 ASN CB C 13 38.300 0.200 . 1 . . . . . 533 ASN CB . 27934 1 417 . 1 . 1 124 124 ASN N N 15 126.336 0.20 . 1 . . . . . 533 ASN N . 27934 1 418 . 1 . 1 125 125 GLU H H 1 9.442 0.02 . 1 . . . . . 534 GLU H . 27934 1 419 . 1 . 1 125 125 GLU C C 13 174.354 0.20 . 1 . . . . . 534 GLU C . 27934 1 420 . 1 . 1 125 125 GLU CB C 13 33.900 0.200 . 1 . . . . . 534 GLU CB . 27934 1 421 . 1 . 1 125 125 GLU N N 15 126.989 0.20 . 1 . . . . . 534 GLU N . 27934 1 422 . 1 . 1 126 126 LEU H H 1 7.685 0.02 . 1 . . . . . 535 LEU H . 27934 1 423 . 1 . 1 126 126 LEU CA C 13 52.400 0.200 . 1 . . . . . 535 LEU CA . 27934 1 424 . 1 . 1 126 126 LEU CB C 13 44.800 0.200 . 1 . . . . . 535 LEU CB . 27934 1 425 . 1 . 1 126 126 LEU N N 15 120.091 0.20 . 1 . . . . . 535 LEU N . 27934 1 426 . 1 . 1 127 127 GLN H H 1 9.304 0.02 . 1 . . . . . 536 GLN H . 27934 1 427 . 1 . 1 127 127 GLN CA C 13 54.900 0.200 . 1 . . . . . 536 GLN CA . 27934 1 428 . 1 . 1 127 127 GLN CB C 13 29.700 0.200 . 1 . . . . . 536 GLN CB . 27934 1 429 . 1 . 1 127 127 GLN N N 15 125.880 0.20 . 1 . . . . . 536 GLN N . 27934 1 430 . 1 . 1 128 128 ASN H H 1 9.324 0.02 . 1 . . . . . 537 ASN H . 27934 1 431 . 1 . 1 128 128 ASN C C 13 175.027 0.20 . 1 . . . . . 537 ASN C . 27934 1 432 . 1 . 1 128 128 ASN CA C 13 52.900 0.200 . 1 . . . . . 537 ASN CA . 27934 1 433 . 1 . 1 128 128 ASN CB C 13 38.200 0.200 . 1 . . . . . 537 ASN CB . 27934 1 434 . 1 . 1 128 128 ASN N N 15 128.251 0.20 . 1 . . . . . 537 ASN N . 27934 1 435 . 1 . 1 129 129 LEU H H 1 7.982 0.02 . 1 . . . . . 538 LEU H . 27934 1 436 . 1 . 1 129 129 LEU C C 13 177.167 0.20 . 1 . . . . . 538 LEU C . 27934 1 437 . 1 . 1 129 129 LEU CB C 13 41.700 0.200 . 1 . . . . . 538 LEU CB . 27934 1 438 . 1 . 1 129 129 LEU N N 15 122.724 0.20 . 1 . . . . . 538 LEU N . 27934 1 439 . 1 . 1 130 130 THR H H 1 8.444 0.02 . 1 . . . . . 539 THR H . 27934 1 440 . 1 . 1 130 130 THR CB C 13 69.000 0.200 . 1 . . . . . 539 THR CB . 27934 1 441 . 1 . 1 130 130 THR N N 15 108.273 0.20 . 1 . . . . . 539 THR N . 27934 1 442 . 1 . 1 131 131 SER H H 1 8.839 0.02 . 1 . . . . . 540 SER H . 27934 1 443 . 1 . 1 131 131 SER N N 15 103.298 0.20 . 1 . . . . . 540 SER N . 27934 1 444 . 1 . 1 132 132 ALA CA C 13 51.900 0.200 . 1 . . . . . 541 ALA CA . 27934 1 445 . 1 . 1 133 133 GLU H H 1 8.176 0.02 . 1 . . . . . 542 GLU H . 27934 1 446 . 1 . 1 133 133 GLU C C 13 176.363 0.20 . 1 . . . . . 542 GLU C . 27934 1 447 . 1 . 1 133 133 GLU CA C 13 55.900 0.200 . 1 . . . . . 542 GLU CA . 27934 1 448 . 1 . 1 133 133 GLU CB C 13 29.500 0.200 . 1 . . . . . 542 GLU CB . 27934 1 449 . 1 . 1 133 133 GLU N N 15 120.505 0.20 . 1 . . . . . 542 GLU N . 27934 1 450 . 1 . 1 134 134 VAL H H 1 8.138 0.02 . 1 . . . . . 543 VAL H . 27934 1 451 . 1 . 1 134 134 VAL C C 13 175.749 0.20 . 1 . . . . . 543 VAL C . 27934 1 452 . 1 . 1 134 134 VAL CA C 13 61.900 0.200 . 1 . . . . . 543 VAL CA . 27934 1 453 . 1 . 1 134 134 VAL CB C 13 31.700 0.200 . 1 . . . . . 543 VAL CB . 27934 1 454 . 1 . 1 134 134 VAL N N 15 123.075 0.20 . 1 . . . . . 543 VAL N . 27934 1 455 . 1 . 1 135 135 ILE H H 1 8.212 0.02 . 1 . . . . . 544 ILE H . 27934 1 456 . 1 . 1 135 135 ILE C C 13 176.013 0.20 . 1 . . . . . 544 ILE C . 27934 1 457 . 1 . 1 135 135 ILE CA C 13 60.000 0.200 . 1 . . . . . 544 ILE CA . 27934 1 458 . 1 . 1 135 135 ILE CB C 13 37.400 0.200 . 1 . . . . . 544 ILE CB . 27934 1 459 . 1 . 1 135 135 ILE N N 15 126.615 0.20 . 1 . . . . . 544 ILE N . 27934 1 460 . 1 . 1 136 136 VAL H H 1 8.228 0.02 . 1 . . . . . 545 VAL H . 27934 1 461 . 1 . 1 136 136 VAL CA C 13 59.200 0.200 . 1 . . . . . 545 VAL CA . 27934 1 462 . 1 . 1 136 136 VAL CB C 13 31.800 0.200 . 1 . . . . . 545 VAL CB . 27934 1 463 . 1 . 1 136 136 VAL N N 15 127.704 0.20 . 1 . . . . . 545 VAL N . 27934 1 464 . 1 . 1 137 137 PRO C C 13 177.138 0.20 . 1 . . . . . 546 PRO C . 27934 1 465 . 1 . 1 137 137 PRO CA C 13 62.900 0.200 . 1 . . . . . 546 PRO CA . 27934 1 466 . 1 . 1 138 138 ARG H H 1 8.515 0.02 . 1 . . . . . 547 ARG H . 27934 1 467 . 1 . 1 138 138 ARG C C 13 176.338 0.20 . 1 . . . . . 547 ARG C . 27934 1 468 . 1 . 1 138 138 ARG CA C 13 55.900 0.200 . 1 . . . . . 547 ARG CA . 27934 1 469 . 1 . 1 138 138 ARG CD C 13 43.300 0.200 . 1 . . . . . 547 ARG CD . 27934 1 470 . 1 . 1 138 138 ARG N N 15 123.884 0.20 . 1 . . . . . 547 ARG N . 27934 1 471 . 1 . 1 139 139 ASP H H 1 8.658 0.02 . 1 . . . . . 548 ASP H . 27934 1 472 . 1 . 1 139 139 ASP CA C 13 54.000 0.200 . 1 . . . . . 548 ASP CA . 27934 1 473 . 1 . 1 139 139 ASP CB C 13 38.700 0.200 . 1 . . . . . 548 ASP CB . 27934 1 474 . 1 . 1 139 139 ASP N N 15 118.320 0.20 . 1 . . . . . 548 ASP N . 27934 1 475 . 1 . 1 140 140 GLN H H 1 7.977 0.02 . 1 . . . . . 549 GLN H . 27934 1 476 . 1 . 1 140 140 GLN C C 13 176.242 0.20 . 1 . . . . . 549 GLN C . 27934 1 477 . 1 . 1 140 140 GLN CB C 13 32.200 0.200 . 1 . . . . . 549 GLN CB . 27934 1 478 . 1 . 1 140 140 GLN N N 15 116.970 0.20 . 1 . . . . . 549 GLN N . 27934 1 479 . 1 . 1 141 141 THR H H 1 8.256 0.02 . 1 . . . . . 550 THR H . 27934 1 480 . 1 . 1 141 141 THR N N 15 124.982 0.20 . 1 . . . . . 550 THR N . 27934 1 481 . 1 . 1 142 142 PRO C C 13 175.973 0.20 . 1 . . . . . 551 PRO C . 27934 1 482 . 1 . 1 142 142 PRO CA C 13 61.900 0.200 . 1 . . . . . 551 PRO CA . 27934 1 483 . 1 . 1 142 142 PRO CB C 13 31.200 0.200 . 1 . . . . . 551 PRO CB . 27934 1 484 . 1 . 1 143 143 ASP H H 1 8.456 0.02 . 1 . . . . . 552 ASP H . 27934 1 485 . 1 . 1 143 143 ASP C C 13 176.693 0.20 . 1 . . . . . 552 ASP C . 27934 1 486 . 1 . 1 143 143 ASP CB C 13 40.400 0.200 . 1 . . . . . 552 ASP CB . 27934 1 487 . 1 . 1 143 143 ASP N N 15 122.464 0.20 . 1 . . . . . 552 ASP N . 27934 1 488 . 1 . 1 144 144 GLU H H 1 7.988 0.02 . 1 . . . . . 553 GLU H . 27934 1 489 . 1 . 1 144 144 GLU CB C 13 31.800 0.200 . 1 . . . . . 553 GLU CB . 27934 1 490 . 1 . 1 144 144 GLU N N 15 120.807 0.20 . 1 . . . . . 553 GLU N . 27934 1 491 . 1 . 1 145 145 ASN H H 1 8.379 0.02 . 1 . . . . . 554 ASN H . 27934 1 492 . 1 . 1 145 145 ASN C C 13 174.356 0.20 . 1 . . . . . 554 ASN C . 27934 1 493 . 1 . 1 145 145 ASN CA C 13 52.400 0.200 . 1 . . . . . 554 ASN CA . 27934 1 494 . 1 . 1 145 145 ASN CB C 13 38.300 0.200 . 1 . . . . . 554 ASN CB . 27934 1 495 . 1 . 1 145 145 ASN N N 15 119.193 0.20 . 1 . . . . . 554 ASN N . 27934 1 496 . 1 . 1 146 146 GLU H H 1 8.570 0.02 . 1 . . . . . 555 GLU H . 27934 1 497 . 1 . 1 146 146 GLU C C 13 175.375 0.20 . 1 . . . . . 555 GLU C . 27934 1 498 . 1 . 1 146 146 GLU CA C 13 56.900 0.200 . 1 . . . . . 555 GLU CA . 27934 1 499 . 1 . 1 146 146 GLU N N 15 117.724 0.20 . 1 . . . . . 555 GLU N . 27934 1 500 . 1 . 1 147 147 GLU H H 1 8.295 0.02 . 1 . . . . . 556 GLU H . 27934 1 501 . 1 . 1 147 147 GLU C C 13 175.406 0.20 . 1 . . . . . 556 GLU C . 27934 1 502 . 1 . 1 147 147 GLU CA C 13 55.400 0.200 . 1 . . . . . 556 GLU CA . 27934 1 503 . 1 . 1 147 147 GLU CB C 13 30.100 0.200 . 1 . . . . . 556 GLU CB . 27934 1 504 . 1 . 1 147 147 GLU N N 15 118.969 0.20 . 1 . . . . . 556 GLU N . 27934 1 505 . 1 . 1 148 148 VAL H H 1 8.396 0.02 . 1 . . . . . 557 VAL H . 27934 1 506 . 1 . 1 148 148 VAL C C 13 174.643 0.20 . 1 . . . . . 557 VAL C . 27934 1 507 . 1 . 1 148 148 VAL CA C 13 60.800 0.200 . 1 . . . . . 557 VAL CA . 27934 1 508 . 1 . 1 148 148 VAL CB C 13 32.200 0.200 . 1 . . . . . 557 VAL CB . 27934 1 509 . 1 . 1 148 148 VAL N N 15 126.615 0.20 . 1 . . . . . 557 VAL N . 27934 1 510 . 1 . 1 149 149 ILE H H 1 9.101 0.02 . 1 . . . . . 558 ILE H . 27934 1 511 . 1 . 1 149 149 ILE C C 13 177.628 0.20 . 1 . . . . . 558 ILE C . 27934 1 512 . 1 . 1 149 149 ILE CA C 13 59.700 0.200 . 1 . . . . . 558 ILE CA . 27934 1 513 . 1 . 1 149 149 ILE N N 15 127.506 0.20 . 1 . . . . . 558 ILE N . 27934 1 514 . 1 . 1 150 150 VAL H H 1 7.818 0.02 . 1 . . . . . 559 VAL H . 27934 1 515 . 1 . 1 150 150 VAL C C 13 179.275 0.20 . 1 . . . . . 559 VAL C . 27934 1 516 . 1 . 1 150 150 VAL CA C 13 63.700 0.200 . 1 . . . . . 559 VAL CA . 27934 1 517 . 1 . 1 150 150 VAL CB C 13 31.200 0.200 . 1 . . . . . 559 VAL CB . 27934 1 518 . 1 . 1 150 150 VAL N N 15 121.230 0.20 . 1 . . . . . 559 VAL N . 27934 1 519 . 1 . 1 151 151 ARG H H 1 9.414 0.02 . 1 . . . . . 560 ARG H . 27934 1 520 . 1 . 1 151 151 ARG C C 13 175.546 0.20 . 1 . . . . . 560 ARG C . 27934 1 521 . 1 . 1 151 151 ARG CA C 13 54.300 0.200 . 1 . . . . . 560 ARG CA . 27934 1 522 . 1 . 1 151 151 ARG CB C 13 31.300 0.200 . 1 . . . . . 560 ARG CB . 27934 1 523 . 1 . 1 151 151 ARG CD C 13 43.300 0.200 . 1 . . . . . 560 ARG CD . 27934 1 524 . 1 . 1 151 151 ARG N N 15 123.351 0.20 . 1 . . . . . 560 ARG N . 27934 1 525 . 1 . 1 152 152 ILE H H 1 9.468 0.02 . 1 . . . . . 561 ILE H . 27934 1 526 . 1 . 1 152 152 ILE C C 13 176.672 0.20 . 1 . . . . . 561 ILE C . 27934 1 527 . 1 . 1 152 152 ILE CA C 13 59.600 0.200 . 1 . . . . . 561 ILE CA . 27934 1 528 . 1 . 1 152 152 ILE N N 15 122.464 0.20 . 1 . . . . . 561 ILE N . 27934 1 529 . 1 . 1 153 153 ILE H H 1 9.672 0.02 . 1 . . . . . 562 ILE H . 27934 1 530 . 1 . 1 153 153 ILE C C 13 176.080 0.20 . 1 . . . . . 562 ILE C . 27934 1 531 . 1 . 1 153 153 ILE CA C 13 60.400 0.200 . 1 . . . . . 562 ILE CA . 27934 1 532 . 1 . 1 153 153 ILE CB C 13 39.500 0.200 . 1 . . . . . 562 ILE CB . 27934 1 533 . 1 . 1 153 153 ILE N N 15 131.785 0.20 . 1 . . . . . 562 ILE N . 27934 1 534 . 1 . 1 154 154 GLY H H 1 8.168 0.02 . 1 . . . . . 563 GLY H . 27934 1 535 . 1 . 1 154 154 GLY CA C 13 45.400 0.200 . 1 . . . . . 563 GLY CA . 27934 1 536 . 1 . 1 154 154 GLY N N 15 112.213 0.20 . 1 . . . . . 563 GLY N . 27934 1 537 . 1 . 1 155 155 HIS H H 1 7.617 0.02 . 1 . . . . . 564 HIS H . 27934 1 538 . 1 . 1 155 155 HIS CA C 13 54.900 0.200 . 1 . . . . . 564 HIS CA . 27934 1 539 . 1 . 1 155 155 HIS CB C 13 30.700 0.200 . 1 . . . . . 564 HIS CB . 27934 1 540 . 1 . 1 155 155 HIS N N 15 117.561 0.20 . 1 . . . . . 564 HIS N . 27934 1 541 . 1 . 1 156 156 PHE H H 1 8.850 0.02 . 1 . . . . . 565 PHE H . 27934 1 542 . 1 . 1 156 156 PHE C C 13 178.787 0.20 . 1 . . . . . 565 PHE C . 27934 1 543 . 1 . 1 156 156 PHE CA C 13 61.500 0.200 . 1 . . . . . 565 PHE CA . 27934 1 544 . 1 . 1 156 156 PHE CB C 13 38.300 0.200 . 1 . . . . . 565 PHE CB . 27934 1 545 . 1 . 1 156 156 PHE N N 15 121.117 0.20 . 1 . . . . . 565 PHE N . 27934 1 546 . 1 . 1 157 157 PHE H H 1 7.441 0.02 . 1 . . . . . 566 PHE H . 27934 1 547 . 1 . 1 157 157 PHE CA C 13 54.100 0.200 . 1 . . . . . 566 PHE CA . 27934 1 548 . 1 . 1 157 157 PHE N N 15 119.341 0.20 . 1 . . . . . 566 PHE N . 27934 1 549 . 1 . 1 158 158 ALA H H 1 7.013 0.02 . 1 . . . . . 567 ALA H . 27934 1 550 . 1 . 1 158 158 ALA C C 13 178.128 0.20 . 1 . . . . . 567 ALA C . 27934 1 551 . 1 . 1 158 158 ALA CA C 13 56.100 0.200 . 1 . . . . . 567 ALA CA . 27934 1 552 . 1 . 1 158 158 ALA CB C 13 25.000 0.200 . 1 . . . . . 567 ALA CB . 27934 1 553 . 1 . 1 158 158 ALA N N 15 123.219 0.20 . 1 . . . . . 567 ALA N . 27934 1 554 . 1 . 1 159 159 SER H H 1 8.347 0.02 . 1 . . . . . 568 SER H . 27934 1 555 . 1 . 1 159 159 SER C C 13 174.473 0.20 . 1 . . . . . 568 SER C . 27934 1 556 . 1 . 1 159 159 SER CA C 13 57.900 0.200 . 1 . . . . . 568 SER CA . 27934 1 557 . 1 . 1 159 159 SER CB C 13 63.500 0.200 . 1 . . . . . 568 SER CB . 27934 1 558 . 1 . 1 159 159 SER N N 15 115.185 0.20 . 1 . . . . . 568 SER N . 27934 1 559 . 1 . 1 160 160 GLN H H 1 8.475 0.02 . 1 . . . . . 569 GLN H . 27934 1 560 . 1 . 1 160 160 GLN CB C 13 27.900 0.200 . 1 . . . . . 569 GLN CB . 27934 1 561 . 1 . 1 160 160 GLN N N 15 123.052 0.20 . 1 . . . . . 569 GLN N . 27934 1 562 . 1 . 1 161 161 THR H H 1 7.342 0.02 . 1 . . . . . 570 THR H . 27934 1 563 . 1 . 1 161 161 THR CA C 13 63.300 0.200 . 1 . . . . . 570 THR CA . 27934 1 564 . 1 . 1 161 161 THR N N 15 111.333 0.20 . 1 . . . . . 570 THR N . 27934 1 565 . 1 . 1 163 163 GLN H H 1 7.947 0.02 . 1 . . . . . 572 GLN H . 27934 1 566 . 1 . 1 163 163 GLN C C 13 176.269 0.20 . 1 . . . . . 572 GLN C . 27934 1 567 . 1 . 1 163 163 GLN CA C 13 56.200 0.200 . 1 . . . . . 572 GLN CA . 27934 1 568 . 1 . 1 163 163 GLN CB C 13 29.100 0.200 . 1 . . . . . 572 GLN CB . 27934 1 569 . 1 . 1 163 163 GLN N N 15 116.817 0.20 . 1 . . . . . 572 GLN N . 27934 1 570 . 1 . 1 164 164 ARG H H 1 8.309 0.02 . 1 . . . . . 573 ARG H . 27934 1 571 . 1 . 1 164 164 ARG CA C 13 56.000 0.200 . 1 . . . . . 573 ARG CA . 27934 1 572 . 1 . 1 164 164 ARG CB C 13 29.000 0.200 . 1 . . . . . 573 ARG CB . 27934 1 573 . 1 . 1 164 164 ARG CD C 13 43.300 0.200 . 1 . . . . . 573 ARG CD . 27934 1 574 . 1 . 1 164 164 ARG N N 15 123.217 0.20 . 1 . . . . . 573 ARG N . 27934 1 575 . 1 . 1 165 165 LYS H H 1 7.929 0.02 . 1 . . . . . 574 LYS H . 27934 1 576 . 1 . 1 165 165 LYS C C 13 176.564 0.20 . 1 . . . . . 574 LYS C . 27934 1 577 . 1 . 1 165 165 LYS CA C 13 54.900 0.200 . 1 . . . . . 574 LYS CA . 27934 1 578 . 1 . 1 165 165 LYS CB C 13 31.700 0.200 . 1 . . . . . 574 LYS CB . 27934 1 579 . 1 . 1 165 165 LYS CE C 13 42.100 0.200 . 1 . . . . . 574 LYS CE . 27934 1 580 . 1 . 1 165 165 LYS N N 15 124.083 0.20 . 1 . . . . . 574 LYS N . 27934 1 581 . 1 . 1 166 166 ILE H H 1 8.898 0.02 . 1 . . . . . 575 ILE H . 27934 1 582 . 1 . 1 166 166 ILE C C 13 175.988 0.20 . 1 . . . . . 575 ILE C . 27934 1 583 . 1 . 1 166 166 ILE CA C 13 58.600 0.200 . 1 . . . . . 575 ILE CA . 27934 1 584 . 1 . 1 166 166 ILE CB C 13 40.400 0.200 . 1 . . . . . 575 ILE CB . 27934 1 585 . 1 . 1 166 166 ILE N N 15 113.727 0.20 . 1 . . . . . 575 ILE N . 27934 1 586 . 1 . 1 167 167 ARG H H 1 8.662 0.02 . 1 . . . . . 576 ARG H . 27934 1 587 . 1 . 1 167 167 ARG C C 13 174.366 0.20 . 1 . . . . . 576 ARG C . 27934 1 588 . 1 . 1 167 167 ARG CB C 13 27.100 0.200 . 1 . . . . . 576 ARG CB . 27934 1 589 . 1 . 1 167 167 ARG CD C 13 43.300 0.200 . 1 . . . . . 576 ARG CD . 27934 1 590 . 1 . 1 167 167 ARG N N 15 123.212 0.20 . 1 . . . . . 576 ARG N . 27934 1 591 . 1 . 1 168 168 GLU H H 1 7.923 0.02 . 1 . . . . . 577 GLU H . 27934 1 592 . 1 . 1 168 168 GLU C C 13 175.331 0.20 . 1 . . . . . 577 GLU C . 27934 1 593 . 1 . 1 168 168 GLU CA C 13 57.200 0.200 . 1 . . . . . 577 GLU CA . 27934 1 594 . 1 . 1 168 168 GLU CB C 13 29.000 0.200 . 1 . . . . . 577 GLU CB . 27934 1 595 . 1 . 1 168 168 GLU N N 15 129.168 0.20 . 1 . . . . . 577 GLU N . 27934 1 596 . 1 . 1 169 169 ILE H H 1 7.893 0.02 . 1 . . . . . 578 ILE H . 27934 1 597 . 1 . 1 169 169 ILE C C 13 180.176 0.20 . 1 . . . . . 578 ILE C . 27934 1 598 . 1 . 1 169 169 ILE CA C 13 65.000 0.200 . 1 . . . . . 578 ILE CA . 27934 1 599 . 1 . 1 169 169 ILE CB C 13 38.400 0.200 . 1 . . . . . 578 ILE CB . 27934 1 600 . 1 . 1 169 169 ILE N N 15 121.873 0.20 . 1 . . . . . 578 ILE N . 27934 1 601 . 1 . 1 170 170 VAL H H 1 6.802 0.02 . 1 . . . . . 579 VAL H . 27934 1 602 . 1 . 1 170 170 VAL C C 13 178.099 0.20 . 1 . . . . . 579 VAL C . 27934 1 603 . 1 . 1 170 170 VAL CA C 13 65.800 0.200 . 1 . . . . . 579 VAL CA . 27934 1 604 . 1 . 1 170 170 VAL CB C 13 30.700 0.200 . 1 . . . . . 579 VAL CB . 27934 1 605 . 1 . 1 170 170 VAL N N 15 113.075 0.20 . 1 . . . . . 579 VAL N . 27934 1 606 . 1 . 1 171 171 GLN H H 1 7.818 0.02 . 1 . . . . . 580 GLN H . 27934 1 607 . 1 . 1 171 171 GLN C C 13 177.866 0.20 . 1 . . . . . 580 GLN C . 27934 1 608 . 1 . 1 171 171 GLN CA C 13 57.600 0.200 . 1 . . . . . 580 GLN CA . 27934 1 609 . 1 . 1 171 171 GLN CB C 13 27.900 0.200 . 1 . . . . . 580 GLN CB . 27934 1 610 . 1 . 1 171 171 GLN N N 15 118.442 0.20 . 1 . . . . . 580 GLN N . 27934 1 611 . 1 . 1 172 172 GLN H H 1 8.000 0.02 . 1 . . . . . 581 GLN H . 27934 1 612 . 1 . 1 172 172 GLN C C 13 178.327 0.20 . 1 . . . . . 581 GLN C . 27934 1 613 . 1 . 1 172 172 GLN CA C 13 57.800 0.200 . 1 . . . . . 581 GLN CA . 27934 1 614 . 1 . 1 172 172 GLN CB C 13 27.700 0.200 . 1 . . . . . 581 GLN CB . 27934 1 615 . 1 . 1 172 172 GLN N N 15 120.085 0.20 . 1 . . . . . 581 GLN N . 27934 1 616 . 1 . 1 173 173 VAL H H 1 8.063 0.02 . 1 . . . . . 582 VAL H . 27934 1 617 . 1 . 1 173 173 VAL CA C 13 64.400 0.200 . 1 . . . . . 582 VAL CA . 27934 1 618 . 1 . 1 173 173 VAL CB C 13 30.800 0.200 . 1 . . . . . 582 VAL CB . 27934 1 619 . 1 . 1 173 173 VAL N N 15 120.230 0.20 . 1 . . . . . 582 VAL N . 27934 1 620 . 1 . 1 174 174 LYS H H 1 8.030 0.02 . 1 . . . . . 583 LYS H . 27934 1 621 . 1 . 1 174 174 LYS CA C 13 57.800 0.200 . 1 . . . . . 583 LYS CA . 27934 1 622 . 1 . 1 174 174 LYS CE C 13 42.100 0.200 . 1 . . . . . 583 LYS CE . 27934 1 623 . 1 . 1 174 174 LYS N N 15 121.719 0.20 . 1 . . . . . 583 LYS N . 27934 1 624 . 1 . 1 175 175 GLN H H 1 8.061 0.02 . 1 . . . . . 584 GLN H . 27934 1 625 . 1 . 1 175 175 GLN N N 15 119.482 0.20 . 1 . . . . . 584 GLN N . 27934 1 626 . 1 . 1 176 176 GLN H H 1 7.624 0.02 . 1 . . . . . 585 GLN H . 27934 1 627 . 1 . 1 176 176 GLN CA C 13 55.900 0.200 . 1 . . . . . 585 GLN CA . 27934 1 628 . 1 . 1 176 176 GLN CB C 13 28.400 0.200 . 1 . . . . . 585 GLN CB . 27934 1 629 . 1 . 1 176 176 GLN N N 15 115.089 0.20 . 1 . . . . . 585 GLN N . 27934 1 630 . 1 . 1 177 177 GLU H H 1 8.098 0.02 . 1 . . . . . 586 GLU H . 27934 1 631 . 1 . 1 177 177 GLU C C 13 176.458 0.20 . 1 . . . . . 586 GLU C . 27934 1 632 . 1 . 1 177 177 GLU CA C 13 56.400 0.200 . 1 . . . . . 586 GLU CA . 27934 1 633 . 1 . 1 177 177 GLU CB C 13 29.500 0.200 . 1 . . . . . 586 GLU CB . 27934 1 634 . 1 . 1 177 177 GLU N N 15 121.130 0.20 . 1 . . . . . 586 GLU N . 27934 1 635 . 1 . 1 178 178 GLN H H 1 8.106 0.02 . 1 . . . . . 587 GLN H . 27934 1 636 . 1 . 1 178 178 GLN CA C 13 55.300 0.200 . 1 . . . . . 587 GLN CA . 27934 1 637 . 1 . 1 178 178 GLN CB C 13 28.500 0.200 . 1 . . . . . 587 GLN CB . 27934 1 638 . 1 . 1 178 178 GLN N N 15 121.921 0.20 . 1 . . . . . 587 GLN N . 27934 1 639 . 1 . 1 179 179 LYS H H 1 7.982 0.02 . 1 . . . . . 588 LYS H . 27934 1 640 . 1 . 1 179 179 LYS N N 15 129.441 0.20 . 1 . . . . . 588 LYS N . 27934 1 stop_ save_