data_15764 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15764 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Ca2+-Binding Domain 1 of the Na+/Ca2+ Exchanger in the Absence of Ca2+ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-09 _Entry.Accession_date 2008-05-09 _Entry.Last_release_date 2008-06-30 _Entry.Original_release_date 2008-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Eric Johnson . . . 15764 2 Lei Bruschweiler-Li . . . 15764 3 Scott Showalter . A. . 15764 4 Geerten Vuister . W. . 15764 5 Fengli Zhang . . . 15764 6 Rafael Bruschweiler . . . 15764 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15764 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 15764 '15N chemical shifts' 127 15764 '1H chemical shifts' 127 15764 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 1 . . 2008-06-30 2008-05-09 original author . 15764 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15764 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18280495 _Citation.Full_citation . _Citation.Title 'Structure and Dynamics of Ca2+-Binding Domain 1 of the Na+/Ca2+ Exchanger in the Presence and in the Absence of Ca2+' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 377 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 945 _Citation.Page_last 955 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 Eric Johnson . . . 15764 1 2 Lei Bruschweiler-Li . . . 15764 1 3 Scott Showalter . A. . 15764 1 4 Geerten Vuister . W. . 15764 1 5 Fengli Zhang . . . 15764 1 6 Rafael Bruschweiler . . . 15764 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15764 _Assembly.ID 1 _Assembly.Name CBD1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16193 _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 CBD1 1 $CBD1 A . yes native no no . 'binds Ca2+' . 15764 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ion binding' 15764 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBD1 _Entity.Sf_category entity _Entity.Sf_framecode CBD1 _Entity.Entry_ID 15764 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBD1 _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 ; MSHHHHHHVSKIFFEQGTYQ CLENCGTVALTIIRRGGDLT NTVFVDFRTEDGTANAGSDY EFTEGTVVFKPGETQKEIRV GIIDDDIFEEDENFLVHLSN VKVSSEASEDGILEANHVSA LACLGSPSTATVTIFDDDHA GIFTFEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-8 represent a non-native affinity tag.' _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Ca2+-binding domain 1 of the Na+/Ca2+ exchanger' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16193 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DPK . "The Crystal Structure Of The Primary Ca2+ Sensor Of The Na+CA2+ EXCHANGER" . . . . . 101.36 152 97.99 97.99 3.04e-97 . . . . 15764 1 2 no PDB 2FWS . "First Ca2+ Binding Domain Of The Na,Ca-Exchanger (Ncx1)" . . . . . 94.56 139 100.00 100.00 1.69e-93 . . . . 15764 1 3 no DBJ BAF84385 . "unnamed protein product [Homo sapiens]" . . . . . 94.56 937 98.56 99.28 2.26e-85 . . . . 15764 1 4 no EMBL CAH91585 . "hypothetical protein [Pongo abelii]" . . . . . 94.56 937 99.28 99.28 5.37e-86 . . . . 15764 1 5 no GB AAA97928 . "renal Na/Ca exchanger NACA-2 [Oryctolagus cuniculus]" . . . . . 94.56 941 97.12 97.84 2.60e-84 . . . . 15764 1 6 no GB AAB40148 . "Na/Ca exchanger [Felis catus]" . . . . . 94.56 600 98.56 99.28 3.28e-88 . . . . 15764 1 7 no GB AAD04173 . "sodium-calcium exchanger isoform NCX1.3 [Macaca mulatta]" . . . . . 94.56 934 99.28 99.28 4.31e-86 . . . . 15764 1 8 no GB AAD04174 . "sodium-calcium exchanger circular exon 2 transcript [Macaca mulatta]" . . . . . 94.56 602 99.28 99.28 1.30e-88 . . . . 15764 1 9 no GB AAD17213 . "sodium/calcium exchanger 1 splice variant NaCa10 [Homo sapiens]" . . . . . 58.50 215 97.67 98.84 9.92e-49 . . . . 15764 1 10 no REF NP_001028033 . "sodium/calcium exchanger 1 precursor [Macaca mulatta]" . . . . . 94.56 934 99.28 99.28 4.31e-86 . . . . 15764 1 11 no REF NP_001106272 . "sodium/calcium exchanger 1 isoform C precursor [Homo sapiens]" . . . . . 94.56 960 98.56 99.28 2.60e-85 . . . . 15764 1 12 no REF NP_001106273 . "sodium/calcium exchanger 1 isoform D precursor [Homo sapiens]" . . . . . 94.56 937 98.56 99.28 2.26e-85 . . . . 15764 1 13 no REF NP_001125933 . "sodium/calcium exchanger 1 precursor [Pongo abelii]" . . . . . 94.56 937 99.28 99.28 5.37e-86 . . . . 15764 1 14 no REF NP_001164429 . "sodium/calcium exchanger 1 precursor [Oryctolagus cuniculus]" . . . . . 94.56 941 97.12 97.84 2.60e-84 . . . . 15764 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ion binding' 15764 1 stop_ 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 -7 MET . 15764 1 2 -6 SER . 15764 1 3 -5 HIS . 15764 1 4 -4 HIS . 15764 1 5 -3 HIS . 15764 1 6 -2 HIS . 15764 1 7 -1 HIS . 15764 1 8 0 HIS . 15764 1 9 371 VAL . 15764 1 10 372 SER . 15764 1 11 373 LYS . 15764 1 12 374 ILE . 15764 1 13 375 PHE . 15764 1 14 376 PHE . 15764 1 15 377 GLU . 15764 1 16 378 GLN . 15764 1 17 379 GLY . 15764 1 18 380 THR . 15764 1 19 381 TYR . 15764 1 20 382 GLN . 15764 1 21 383 CYS . 15764 1 22 384 LEU . 15764 1 23 385 GLU . 15764 1 24 386 ASN . 15764 1 25 387 CYS . 15764 1 26 388 GLY . 15764 1 27 389 THR . 15764 1 28 390 VAL . 15764 1 29 391 ALA . 15764 1 30 392 LEU . 15764 1 31 393 THR . 15764 1 32 394 ILE . 15764 1 33 395 ILE . 15764 1 34 396 ARG . 15764 1 35 397 ARG . 15764 1 36 398 GLY . 15764 1 37 399 GLY . 15764 1 38 400 ASP . 15764 1 39 401 LEU . 15764 1 40 402 THR . 15764 1 41 403 ASN . 15764 1 42 404 THR . 15764 1 43 405 VAL . 15764 1 44 406 PHE . 15764 1 45 407 VAL . 15764 1 46 408 ASP . 15764 1 47 409 PHE . 15764 1 48 410 ARG . 15764 1 49 411 THR . 15764 1 50 412 GLU . 15764 1 51 413 ASP . 15764 1 52 414 GLY . 15764 1 53 415 THR . 15764 1 54 416 ALA . 15764 1 55 417 ASN . 15764 1 56 418 ALA . 15764 1 57 419 GLY . 15764 1 58 420 SER . 15764 1 59 421 ASP . 15764 1 60 422 TYR . 15764 1 61 423 GLU . 15764 1 62 424 PHE . 15764 1 63 425 THR . 15764 1 64 426 GLU . 15764 1 65 427 GLY . 15764 1 66 428 THR . 15764 1 67 429 VAL . 15764 1 68 430 VAL . 15764 1 69 431 PHE . 15764 1 70 432 LYS . 15764 1 71 433 PRO . 15764 1 72 434 GLY . 15764 1 73 435 GLU . 15764 1 74 436 THR . 15764 1 75 437 GLN . 15764 1 76 438 LYS . 15764 1 77 439 GLU . 15764 1 78 440 ILE . 15764 1 79 441 ARG . 15764 1 80 442 VAL . 15764 1 81 443 GLY . 15764 1 82 444 ILE . 15764 1 83 445 ILE . 15764 1 84 446 ASP . 15764 1 85 447 ASP . 15764 1 86 448 ASP . 15764 1 87 449 ILE . 15764 1 88 450 PHE . 15764 1 89 451 GLU . 15764 1 90 452 GLU . 15764 1 91 453 ASP . 15764 1 92 454 GLU . 15764 1 93 455 ASN . 15764 1 94 456 PHE . 15764 1 95 457 LEU . 15764 1 96 458 VAL . 15764 1 97 459 HIS . 15764 1 98 460 LEU . 15764 1 99 461 SER . 15764 1 100 462 ASN . 15764 1 101 463 VAL . 15764 1 102 464 LYS . 15764 1 103 465 VAL . 15764 1 104 466 SER . 15764 1 105 467 SER . 15764 1 106 468 GLU . 15764 1 107 469 ALA . 15764 1 108 470 SER . 15764 1 109 471 GLU . 15764 1 110 472 ASP . 15764 1 111 473 GLY . 15764 1 112 474 ILE . 15764 1 113 475 LEU . 15764 1 114 476 GLU . 15764 1 115 477 ALA . 15764 1 116 478 ASN . 15764 1 117 479 HIS . 15764 1 118 480 VAL . 15764 1 119 481 SER . 15764 1 120 482 ALA . 15764 1 121 483 LEU . 15764 1 122 484 ALA . 15764 1 123 485 CYS . 15764 1 124 486 LEU . 15764 1 125 487 GLY . 15764 1 126 488 SER . 15764 1 127 489 PRO . 15764 1 128 490 SER . 15764 1 129 491 THR . 15764 1 130 492 ALA . 15764 1 131 493 THR . 15764 1 132 494 VAL . 15764 1 133 495 THR . 15764 1 134 496 ILE . 15764 1 135 497 PHE . 15764 1 136 498 ASP . 15764 1 137 499 ASP . 15764 1 138 500 ASP . 15764 1 139 501 HIS . 15764 1 140 502 ALA . 15764 1 141 503 GLY . 15764 1 142 504 ILE . 15764 1 143 505 PHE . 15764 1 144 506 THR . 15764 1 145 507 PHE . 15764 1 146 508 GLU . 15764 1 147 509 GLU . 15764 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 . MET 1 1 15764 1 . SER 2 2 15764 1 . HIS 3 3 15764 1 . HIS 4 4 15764 1 . HIS 5 5 15764 1 . HIS 6 6 15764 1 . HIS 7 7 15764 1 . HIS 8 8 15764 1 . VAL 9 9 15764 1 . SER 10 10 15764 1 . LYS 11 11 15764 1 . ILE 12 12 15764 1 . PHE 13 13 15764 1 . PHE 14 14 15764 1 . GLU 15 15 15764 1 . GLN 16 16 15764 1 . GLY 17 17 15764 1 . THR 18 18 15764 1 . TYR 19 19 15764 1 . GLN 20 20 15764 1 . CYS 21 21 15764 1 . LEU 22 22 15764 1 . GLU 23 23 15764 1 . ASN 24 24 15764 1 . CYS 25 25 15764 1 . GLY 26 26 15764 1 . THR 27 27 15764 1 . VAL 28 28 15764 1 . ALA 29 29 15764 1 . LEU 30 30 15764 1 . THR 31 31 15764 1 . ILE 32 32 15764 1 . ILE 33 33 15764 1 . ARG 34 34 15764 1 . ARG 35 35 15764 1 . GLY 36 36 15764 1 . GLY 37 37 15764 1 . ASP 38 38 15764 1 . LEU 39 39 15764 1 . THR 40 40 15764 1 . ASN 41 41 15764 1 . THR 42 42 15764 1 . VAL 43 43 15764 1 . PHE 44 44 15764 1 . VAL 45 45 15764 1 . ASP 46 46 15764 1 . PHE 47 47 15764 1 . ARG 48 48 15764 1 . THR 49 49 15764 1 . GLU 50 50 15764 1 . ASP 51 51 15764 1 . GLY 52 52 15764 1 . THR 53 53 15764 1 . ALA 54 54 15764 1 . ASN 55 55 15764 1 . ALA 56 56 15764 1 . GLY 57 57 15764 1 . SER 58 58 15764 1 . ASP 59 59 15764 1 . TYR 60 60 15764 1 . GLU 61 61 15764 1 . PHE 62 62 15764 1 . THR 63 63 15764 1 . GLU 64 64 15764 1 . GLY 65 65 15764 1 . THR 66 66 15764 1 . VAL 67 67 15764 1 . VAL 68 68 15764 1 . PHE 69 69 15764 1 . LYS 70 70 15764 1 . PRO 71 71 15764 1 . GLY 72 72 15764 1 . GLU 73 73 15764 1 . THR 74 74 15764 1 . GLN 75 75 15764 1 . LYS 76 76 15764 1 . GLU 77 77 15764 1 . ILE 78 78 15764 1 . ARG 79 79 15764 1 . VAL 80 80 15764 1 . GLY 81 81 15764 1 . ILE 82 82 15764 1 . ILE 83 83 15764 1 . ASP 84 84 15764 1 . ASP 85 85 15764 1 . ASP 86 86 15764 1 . ILE 87 87 15764 1 . PHE 88 88 15764 1 . GLU 89 89 15764 1 . GLU 90 90 15764 1 . ASP 91 91 15764 1 . GLU 92 92 15764 1 . ASN 93 93 15764 1 . PHE 94 94 15764 1 . LEU 95 95 15764 1 . VAL 96 96 15764 1 . HIS 97 97 15764 1 . LEU 98 98 15764 1 . SER 99 99 15764 1 . ASN 100 100 15764 1 . VAL 101 101 15764 1 . LYS 102 102 15764 1 . VAL 103 103 15764 1 . SER 104 104 15764 1 . SER 105 105 15764 1 . GLU 106 106 15764 1 . ALA 107 107 15764 1 . SER 108 108 15764 1 . GLU 109 109 15764 1 . ASP 110 110 15764 1 . GLY 111 111 15764 1 . ILE 112 112 15764 1 . LEU 113 113 15764 1 . GLU 114 114 15764 1 . ALA 115 115 15764 1 . ASN 116 116 15764 1 . HIS 117 117 15764 1 . VAL 118 118 15764 1 . SER 119 119 15764 1 . ALA 120 120 15764 1 . LEU 121 121 15764 1 . ALA 122 122 15764 1 . CYS 123 123 15764 1 . LEU 124 124 15764 1 . GLY 125 125 15764 1 . SER 126 126 15764 1 . PRO 127 127 15764 1 . SER 128 128 15764 1 . THR 129 129 15764 1 . ALA 130 130 15764 1 . THR 131 131 15764 1 . VAL 132 132 15764 1 . THR 133 133 15764 1 . ILE 134 134 15764 1 . PHE 135 135 15764 1 . ASP 136 136 15764 1 . ASP 137 137 15764 1 . ASP 138 138 15764 1 . HIS 139 139 15764 1 . ALA 140 140 15764 1 . GLY 141 141 15764 1 . ILE 142 142 15764 1 . PHE 143 143 15764 1 . THR 144 144 15764 1 . PHE 145 145 15764 1 . GLU 146 146 15764 1 . GLU 147 147 15764 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 15764 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CBD1 . 9615 organism . 'Canis familiaris' Dog . . Eukaryota Metazoa Canis familiaris . . . . . . . . . . . . . . . . . . 'AD-splice variant' . . 15764 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 15764 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CBD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET23b . . . . . . 15764 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15764 _Sample.ID 1 _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 CBD1 '[U-100% 13C; U-100% 15N]' . . 1 $CBD1 . . 0.5 . . mM . . . . 15764 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 15764 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 15764 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 15764 1 5 EDTA 'natural abundance' . . . . . . 15 . . mM . . . . 15764 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15764 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15764 1 8 D2O . . . . . . . 10 . . % . . . . 15764 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 15764 _Sample_condition_list.ID 1 _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' 100 . mM 15764 1 pH 7.0 . pH 15764 1 pressure 1 . atm 15764 1 temperature 306 . K 15764 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15764 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15764 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15764 1 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 15764 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Spectrometer is equipped with TCI cryoprobe.' _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 15764 _NMR_spectrometer_list.ID 1 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 Bruker Avance . 800 'Spectrometer is equipped with TCI cryoprobe.' . . 15764 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 15764 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15764 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15764 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15764 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15764 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15764 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 15764 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.697 internal indirect 0.251449531 . . . . . . . . . 15764 1 H 1 water protons . . . . ppm 4.697 internal direct 1.0 . . . . . . . . . 15764 1 N 15 water protons . . . . ppm 4.697 internal indirect 0.101329119 . . . . . . . . . 15764 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 15764 _Assigned_chem_shift_list.ID 1 _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 '3D HNCA' . . . 15764 1 2 '3D HN(CO)CA' . . . 15764 1 3 '3D HN(CA)CO' . . . 15764 1 4 '3D HNCO' . . . 15764 1 5 '3D CBCA(CO)NH' . . . 15764 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 12 12 ILE H H 1 7.917 0.0 . 1 . . . . 12 ILE H . 15764 1 2 . 1 1 12 12 ILE C C 13 175.6 0.0 . 1 . . . . 12 ILE C . 15764 1 3 . 1 1 12 12 ILE CA C 13 57.72 0.0 . 1 . . . . 12 ILE CA . 15764 1 4 . 1 1 12 12 ILE CB C 13 38.23 0.0 . 1 . . . . 12 ILE CB . 15764 1 5 . 1 1 12 12 ILE N N 15 121.1 0.0 . 1 . . . . 12 ILE N . 15764 1 6 . 1 1 13 13 PHE H H 1 8.062 0.0 . 1 . . . . 13 PHE H . 15764 1 7 . 1 1 13 13 PHE C C 13 173.6 0.0 . 1 . . . . 13 PHE C . 15764 1 8 . 1 1 13 13 PHE CA C 13 55.68 0.0 . 1 . . . . 13 PHE CA . 15764 1 9 . 1 1 13 13 PHE CB C 13 39.12 0.0 . 1 . . . . 13 PHE CB . 15764 1 10 . 1 1 13 13 PHE N N 15 121.8 0.0 . 1 . . . . 13 PHE N . 15764 1 11 . 1 1 14 14 PHE H H 1 8.561 0.0 . 1 . . . . 14 PHE H . 15764 1 12 . 1 1 14 14 PHE C C 13 176.2 0.0 . 1 . . . . 14 PHE C . 15764 1 13 . 1 1 14 14 PHE CA C 13 59.67 0.0 . 1 . . . . 14 PHE CA . 15764 1 14 . 1 1 14 14 PHE CB C 13 41.35 0.0 . 1 . . . . 14 PHE CB . 15764 1 15 . 1 1 14 14 PHE N N 15 116.9 0.0 . 1 . . . . 14 PHE N . 15764 1 16 . 1 1 15 15 GLU H H 1 8.816 0.0 . 1 . . . . 15 GLU H . 15764 1 17 . 1 1 15 15 GLU C C 13 175.9 0.0 . 1 . . . . 15 GLU C . 15764 1 18 . 1 1 15 15 GLU CA C 13 59.23 0.0 . 1 . . . . 15 GLU CA . 15764 1 19 . 1 1 15 15 GLU CB C 13 30.62 0.0 . 1 . . . . 15 GLU CB . 15764 1 20 . 1 1 15 15 GLU N N 15 119.7 0.0 . 1 . . . . 15 GLU N . 15764 1 21 . 1 1 16 16 GLN H H 1 7.373 0.0 . 1 . . . . 16 GLN H . 15764 1 22 . 1 1 16 16 GLN C C 13 173.7 0.0 . 1 . . . . 16 GLN C . 15764 1 23 . 1 1 16 16 GLN CA C 13 53.04 0.0 . 1 . . . . 16 GLN CA . 15764 1 24 . 1 1 16 16 GLN CB C 13 31.22 0.0 . 1 . . . . 16 GLN CB . 15764 1 25 . 1 1 16 16 GLN N N 15 109.6 0.0 . 1 . . . . 16 GLN N . 15764 1 26 . 1 1 17 17 GLY H H 1 8.419 0.0 . 1 . . . . 17 GLY H . 15764 1 27 . 1 1 17 17 GLY C C 13 174.1 0.0 . 1 . . . . 17 GLY C . 15764 1 28 . 1 1 17 17 GLY CA C 13 45.15 0.0 . 1 . . . . 17 GLY CA . 15764 1 29 . 1 1 17 17 GLY N N 15 102.7 0.0 . 1 . . . . 17 GLY N . 15764 1 30 . 1 1 18 18 THR H H 1 7.155 0.0 . 1 . . . . 18 THR H . 15764 1 31 . 1 1 18 18 THR C C 13 172.0 0.0 . 1 . . . . 18 THR C . 15764 1 32 . 1 1 18 18 THR CA C 13 59.37 0.0 . 1 . . . . 18 THR CA . 15764 1 33 . 1 1 18 18 THR N N 15 111.2 0.0 . 1 . . . . 18 THR N . 15764 1 34 . 1 1 19 19 TYR H H 1 8.722 0.0 . 1 . . . . 19 TYR H . 15764 1 35 . 1 1 19 19 TYR C C 13 174.2 0.0 . 1 . . . . 19 TYR C . 15764 1 36 . 1 1 19 19 TYR CA C 13 57.47 0.0 . 1 . . . . 19 TYR CA . 15764 1 37 . 1 1 19 19 TYR CB C 13 43.01 0.0 . 1 . . . . 19 TYR CB . 15764 1 38 . 1 1 19 19 TYR N N 15 121.4 0.0 . 1 . . . . 19 TYR N . 15764 1 39 . 1 1 20 20 GLN H H 1 8.609 0.0 . 1 . . . . 20 GLN H . 15764 1 40 . 1 1 20 20 GLN C C 13 174.7 0.0 . 1 . . . . 20 GLN C . 15764 1 41 . 1 1 20 20 GLN CA C 13 54.16 0.0 . 1 . . . . 20 GLN CA . 15764 1 42 . 1 1 20 20 GLN CB C 13 31.17 0.0 . 1 . . . . 20 GLN CB . 15764 1 43 . 1 1 20 20 GLN N N 15 119.2 0.0 . 1 . . . . 20 GLN N . 15764 1 44 . 1 1 21 21 CYS H H 1 9.050 0.0 . 1 . . . . 21 CYS H . 15764 1 45 . 1 1 21 21 CYS C C 13 171.4 0.0 . 1 . . . . 21 CYS C . 15764 1 46 . 1 1 21 21 CYS CA C 13 55.47 0.0 . 1 . . . . 21 CYS CA . 15764 1 47 . 1 1 21 21 CYS N N 15 117.4 0.0 . 1 . . . . 21 CYS N . 15764 1 48 . 1 1 22 22 LEU H H 1 8.180 0.0 . 1 . . . . 22 LEU H . 15764 1 49 . 1 1 22 22 LEU C C 13 179.4 0.0 . 1 . . . . 22 LEU C . 15764 1 50 . 1 1 22 22 LEU CA C 13 52.95 0.0 . 1 . . . . 22 LEU CA . 15764 1 51 . 1 1 22 22 LEU CB C 13 43.99 0.0 . 1 . . . . 22 LEU CB . 15764 1 52 . 1 1 22 22 LEU N N 15 120.1 0.0 . 1 . . . . 22 LEU N . 15764 1 53 . 1 1 23 23 GLU H H 1 8.387 0.0 . 1 . . . . 23 GLU H . 15764 1 54 . 1 1 23 23 GLU C C 13 174.8 0.0 . 1 . . . . 23 GLU C . 15764 1 55 . 1 1 23 23 GLU CA C 13 58.10 0.0 . 1 . . . . 23 GLU CA . 15764 1 56 . 1 1 23 23 GLU N N 15 119.1 0.0 . 1 . . . . 23 GLU N . 15764 1 57 . 1 1 24 24 ASN H H 1 7.584 0.0 . 1 . . . . 24 ASN H . 15764 1 58 . 1 1 24 24 ASN C C 13 177.1 0.0 . 1 . . . . 24 ASN C . 15764 1 59 . 1 1 24 24 ASN CA C 13 52.05 0.0 . 1 . . . . 24 ASN CA . 15764 1 60 . 1 1 24 24 ASN CB C 13 37.54 0.0 . 1 . . . . 24 ASN CB . 15764 1 61 . 1 1 24 24 ASN N N 15 113.6 0.0 . 1 . . . . 24 ASN N . 15764 1 62 . 1 1 25 25 CYS H H 1 7.539 0.0 . 1 . . . . 25 CYS H . 15764 1 63 . 1 1 25 25 CYS C C 13 175.8 0.0 . 1 . . . . 25 CYS C . 15764 1 64 . 1 1 25 25 CYS CA C 13 59.45 0.0 . 1 . . . . 25 CYS CA . 15764 1 65 . 1 1 25 25 CYS CB C 13 29.82 0.0 . 1 . . . . 25 CYS CB . 15764 1 66 . 1 1 25 25 CYS N N 15 114.7 0.0 . 1 . . . . 25 CYS N . 15764 1 67 . 1 1 26 26 GLY H H 1 9.154 0.0 . 1 . . . . 26 GLY H . 15764 1 68 . 1 1 26 26 GLY C C 13 174.5 0.0 . 1 . . . . 26 GLY C . 15764 1 69 . 1 1 26 26 GLY CA C 13 46.80 0.0 . 1 . . . . 26 GLY CA . 15764 1 70 . 1 1 26 26 GLY N N 15 116.7 0.0 . 1 . . . . 26 GLY N . 15764 1 71 . 1 1 27 27 THR H H 1 7.856 0.0 . 1 . . . . 27 THR H . 15764 1 72 . 1 1 27 27 THR C C 13 172.4 0.0 . 1 . . . . 27 THR C . 15764 1 73 . 1 1 27 27 THR CA C 13 59.64 0.0 . 1 . . . . 27 THR CA . 15764 1 74 . 1 1 27 27 THR N N 15 113.5 0.0 . 1 . . . . 27 THR N . 15764 1 75 . 1 1 28 28 VAL H H 1 8.715 0.0 . 1 . . . . 28 VAL H . 15764 1 76 . 1 1 28 28 VAL C C 13 171.7 0.0 . 1 . . . . 28 VAL C . 15764 1 77 . 1 1 28 28 VAL CA C 13 58.65 0.0 . 1 . . . . 28 VAL CA . 15764 1 78 . 1 1 28 28 VAL CB C 13 34.03 0.0 . 1 . . . . 28 VAL CB . 15764 1 79 . 1 1 28 28 VAL N N 15 121.4 0.0 . 1 . . . . 28 VAL N . 15764 1 80 . 1 1 29 29 ALA H H 1 7.997 0.0 . 1 . . . . 29 ALA H . 15764 1 81 . 1 1 29 29 ALA C C 13 176.4 0.0 . 1 . . . . 29 ALA C . 15764 1 82 . 1 1 29 29 ALA CA C 13 49.90 0.0 . 1 . . . . 29 ALA CA . 15764 1 83 . 1 1 29 29 ALA CB C 13 20.19 0.0 . 1 . . . . 29 ALA CB . 15764 1 84 . 1 1 29 29 ALA N N 15 128.9 0.0 . 1 . . . . 29 ALA N . 15764 1 85 . 1 1 30 30 LEU H H 1 8.655 0.0 . 1 . . . . 30 LEU H . 15764 1 86 . 1 1 30 30 LEU C C 13 175.1 0.0 . 1 . . . . 30 LEU C . 15764 1 87 . 1 1 30 30 LEU CA C 13 55.60 0.0 . 1 . . . . 30 LEU CA . 15764 1 88 . 1 1 30 30 LEU CB C 13 43.76 0.0 . 1 . . . . 30 LEU CB . 15764 1 89 . 1 1 30 30 LEU N N 15 122.4 0.0 . 1 . . . . 30 LEU N . 15764 1 90 . 1 1 31 31 THR H H 1 7.438 0.0 . 1 . . . . 31 THR H . 15764 1 91 . 1 1 31 31 THR C C 13 172.6 0.0 . 1 . . . . 31 THR C . 15764 1 92 . 1 1 31 31 THR CA C 13 62.59 0.0 . 1 . . . . 31 THR CA . 15764 1 93 . 1 1 31 31 THR CB C 13 70.43 0.0 . 1 . . . . 31 THR CB . 15764 1 94 . 1 1 31 31 THR N N 15 116.0 0.0 . 1 . . . . 31 THR N . 15764 1 95 . 1 1 32 32 ILE H H 1 9.259 0.0 . 1 . . . . 32 ILE H . 15764 1 96 . 1 1 32 32 ILE C C 13 173.3 0.0 . 1 . . . . 32 ILE C . 15764 1 97 . 1 1 32 32 ILE CA C 13 60.24 0.0 . 1 . . . . 32 ILE CA . 15764 1 98 . 1 1 32 32 ILE CB C 13 39.76 0.0 . 1 . . . . 32 ILE CB . 15764 1 99 . 1 1 32 32 ILE N N 15 128.1 0.0 . 1 . . . . 32 ILE N . 15764 1 100 . 1 1 33 33 ILE H H 1 9.020 0.0 . 1 . . . . 33 ILE H . 15764 1 101 . 1 1 33 33 ILE C C 13 173.6 0.0 . 1 . . . . 33 ILE C . 15764 1 102 . 1 1 33 33 ILE CA C 13 57.42 0.0 . 1 . . . . 33 ILE CA . 15764 1 103 . 1 1 33 33 ILE CB C 13 38.52 0.0 . 1 . . . . 33 ILE CB . 15764 1 104 . 1 1 33 33 ILE N N 15 127.1 0.0 . 1 . . . . 33 ILE N . 15764 1 105 . 1 1 34 34 ARG H H 1 7.805 0.0 . 1 . . . . 34 ARG H . 15764 1 106 . 1 1 34 34 ARG C C 13 174.3 0.0 . 1 . . . . 34 ARG C . 15764 1 107 . 1 1 34 34 ARG CA C 13 53.85 0.0 . 1 . . . . 34 ARG CA . 15764 1 108 . 1 1 34 34 ARG CB C 13 32.37 0.0 . 1 . . . . 34 ARG CB . 15764 1 109 . 1 1 34 34 ARG N N 15 122.6 0.0 . 1 . . . . 34 ARG N . 15764 1 110 . 1 1 35 35 ARG H H 1 8.861 0.0 . 1 . . . . 35 ARG H . 15764 1 111 . 1 1 35 35 ARG C C 13 175.7 0.0 . 1 . . . . 35 ARG C . 15764 1 112 . 1 1 35 35 ARG CA C 13 55.31 0.0 . 1 . . . . 35 ARG CA . 15764 1 113 . 1 1 35 35 ARG CB C 13 34.59 0.0 . 1 . . . . 35 ARG CB . 15764 1 114 . 1 1 35 35 ARG N N 15 126.2 0.0 . 1 . . . . 35 ARG N . 15764 1 115 . 1 1 36 36 GLY H H 1 8.851 0.0 . 1 . . . . 36 GLY H . 15764 1 116 . 1 1 36 36 GLY C C 13 173.2 0.0 . 1 . . . . 36 GLY C . 15764 1 117 . 1 1 36 36 GLY CA C 13 43.78 0.0 . 1 . . . . 36 GLY CA . 15764 1 118 . 1 1 36 36 GLY N N 15 115.5 0.0 . 1 . . . . 36 GLY N . 15764 1 119 . 1 1 37 37 GLY H H 1 8.071 0.0 . 1 . . . . 37 GLY H . 15764 1 120 . 1 1 37 37 GLY C C 13 172.4 0.0 . 1 . . . . 37 GLY C . 15764 1 121 . 1 1 37 37 GLY CA C 13 45.40 0.0 . 1 . . . . 37 GLY CA . 15764 1 122 . 1 1 37 37 GLY N N 15 105.4 0.0 . 1 . . . . 37 GLY N . 15764 1 123 . 1 1 38 38 ASP H H 1 8.430 0.0 . 1 . . . . 38 ASP H . 15764 1 124 . 1 1 38 38 ASP C C 13 177.5 0.0 . 1 . . . . 38 ASP C . 15764 1 125 . 1 1 38 38 ASP CA C 13 52.87 0.0 . 1 . . . . 38 ASP CA . 15764 1 126 . 1 1 38 38 ASP N N 15 119.7 0.0 . 1 . . . . 38 ASP N . 15764 1 127 . 1 1 39 39 LEU C C 13 177.2 0.0 . 1 . . . . 39 LEU C . 15764 1 128 . 1 1 39 39 LEU CA C 13 55.50 0.0 . 1 . . . . 39 LEU CA . 15764 1 129 . 1 1 39 39 LEU CB C 13 41.20 0.0 . 1 . . . . 39 LEU CB . 15764 1 130 . 1 1 40 40 THR H H 1 8.531 0.0 . 1 . . . . 40 THR H . 15764 1 131 . 1 1 40 40 THR C C 13 174.5 0.0 . 1 . . . . 40 THR C . 15764 1 132 . 1 1 40 40 THR CA C 13 63.28 0.0 . 1 . . . . 40 THR CA . 15764 1 133 . 1 1 40 40 THR CB C 13 69.06 0.0 . 1 . . . . 40 THR CB . 15764 1 134 . 1 1 40 40 THR N N 15 110.5 0.0 . 1 . . . . 40 THR N . 15764 1 135 . 1 1 41 41 ASN H H 1 6.940 0.0 . 1 . . . . 41 ASN H . 15764 1 136 . 1 1 41 41 ASN C C 13 174.6 0.0 . 1 . . . . 41 ASN C . 15764 1 137 . 1 1 41 41 ASN CA C 13 52.63 0.0 . 1 . . . . 41 ASN CA . 15764 1 138 . 1 1 41 41 ASN CB C 13 39.30 0.0 . 1 . . . . 41 ASN CB . 15764 1 139 . 1 1 41 41 ASN N N 15 117.3 0.0 . 1 . . . . 41 ASN N . 15764 1 140 . 1 1 42 42 THR H H 1 8.379 0.0 . 1 . . . . 42 THR H . 15764 1 141 . 1 1 42 42 THR C C 13 173.8 0.0 . 1 . . . . 42 THR C . 15764 1 142 . 1 1 42 42 THR CA C 13 62.58 0.0 . 1 . . . . 42 THR CA . 15764 1 143 . 1 1 42 42 THR CB C 13 69.37 0.0 . 1 . . . . 42 THR CB . 15764 1 144 . 1 1 42 42 THR N N 15 119.5 0.0 . 1 . . . . 42 THR N . 15764 1 145 . 1 1 43 43 VAL H H 1 8.475 0.0 . 1 . . . . 43 VAL H . 15764 1 146 . 1 1 43 43 VAL C C 13 172.8 0.0 . 1 . . . . 43 VAL C . 15764 1 147 . 1 1 43 43 VAL CA C 13 60.37 0.0 . 1 . . . . 43 VAL CA . 15764 1 148 . 1 1 43 43 VAL CB C 13 35.56 0.0 . 1 . . . . 43 VAL CB . 15764 1 149 . 1 1 43 43 VAL N N 15 125.8 0.0 . 1 . . . . 43 VAL N . 15764 1 150 . 1 1 44 44 PHE H H 1 9.266 0.0 . 1 . . . . 44 PHE H . 15764 1 151 . 1 1 44 44 PHE C C 13 174.7 0.0 . 1 . . . . 44 PHE C . 15764 1 152 . 1 1 44 44 PHE CA C 13 55.56 0.0 . 1 . . . . 44 PHE CA . 15764 1 153 . 1 1 44 44 PHE CB C 13 41.81 0.0 . 1 . . . . 44 PHE CB . 15764 1 154 . 1 1 44 44 PHE N N 15 126.9 0.0 . 1 . . . . 44 PHE N . 15764 1 155 . 1 1 45 45 VAL H H 1 8.921 0.0 . 1 . . . . 45 VAL H . 15764 1 156 . 1 1 45 45 VAL C C 13 171.9 0.0 . 1 . . . . 45 VAL C . 15764 1 157 . 1 1 45 45 VAL CA C 13 61.42 0.0 . 1 . . . . 45 VAL CA . 15764 1 158 . 1 1 45 45 VAL N N 15 118.5 0.0 . 1 . . . . 45 VAL N . 15764 1 159 . 1 1 46 46 ASP H H 1 8.641 0.0 . 1 . . . . 46 ASP H . 15764 1 160 . 1 1 46 46 ASP C C 13 175.4 0.0 . 1 . . . . 46 ASP C . 15764 1 161 . 1 1 46 46 ASP CA C 13 53.45 0.0 . 1 . . . . 46 ASP CA . 15764 1 162 . 1 1 46 46 ASP CB C 13 41.69 0.0 . 1 . . . . 46 ASP CB . 15764 1 163 . 1 1 46 46 ASP N N 15 127.7 0.0 . 1 . . . . 46 ASP N . 15764 1 164 . 1 1 47 47 PHE H H 1 8.575 0.0 . 1 . . . . 47 PHE H . 15764 1 165 . 1 1 47 47 PHE C C 13 174.2 0.0 . 1 . . . . 47 PHE C . 15764 1 166 . 1 1 47 47 PHE CA C 13 55.09 0.0 . 1 . . . . 47 PHE CA . 15764 1 167 . 1 1 47 47 PHE CB C 13 43.78 0.0 . 1 . . . . 47 PHE CB . 15764 1 168 . 1 1 47 47 PHE N N 15 114.3 0.0 . 1 . . . . 47 PHE N . 15764 1 169 . 1 1 48 48 ARG H H 1 8.301 0.0 . 1 . . . . 48 ARG H . 15764 1 170 . 1 1 48 48 ARG C C 13 175.0 0.0 . 1 . . . . 48 ARG C . 15764 1 171 . 1 1 48 48 ARG CA C 13 55.87 0.0 . 1 . . . . 48 ARG CA . 15764 1 172 . 1 1 48 48 ARG CB C 13 33.47 0.0 . 1 . . . . 48 ARG CB . 15764 1 173 . 1 1 48 48 ARG N N 15 117.3 0.0 . 1 . . . . 48 ARG N . 15764 1 174 . 1 1 49 49 THR H H 1 7.925 0.0 . 1 . . . . 49 THR H . 15764 1 175 . 1 1 49 49 THR C C 13 174.5 0.0 . 1 . . . . 49 THR C . 15764 1 176 . 1 1 49 49 THR CA C 13 60.59 0.0 . 1 . . . . 49 THR CA . 15764 1 177 . 1 1 49 49 THR CB C 13 71.82 0.0 . 1 . . . . 49 THR CB . 15764 1 178 . 1 1 49 49 THR N N 15 113.3 0.0 . 1 . . . . 49 THR N . 15764 1 179 . 1 1 50 50 GLU H H 1 9.126 0.0 . 1 . . . . 50 GLU H . 15764 1 180 . 1 1 50 50 GLU C C 13 174.0 0.0 . 1 . . . . 50 GLU C . 15764 1 181 . 1 1 50 50 GLU CA C 13 55.86 0.0 . 1 . . . . 50 GLU CA . 15764 1 182 . 1 1 50 50 GLU CB C 13 34.09 0.0 . 1 . . . . 50 GLU CB . 15764 1 183 . 1 1 50 50 GLU N N 15 121.4 0.0 . 1 . . . . 50 GLU N . 15764 1 184 . 1 1 51 51 ASP H H 1 8.893 0.0 . 1 . . . . 51 ASP H . 15764 1 185 . 1 1 51 51 ASP C C 13 176.8 0.0 . 1 . . . . 51 ASP C . 15764 1 186 . 1 1 51 51 ASP CA C 13 56.99 0.0 . 1 . . . . 51 ASP CA . 15764 1 187 . 1 1 51 51 ASP CB C 13 40.99 0.0 . 1 . . . . 51 ASP CB . 15764 1 188 . 1 1 51 51 ASP N N 15 124.8 0.0 . 1 . . . . 51 ASP N . 15764 1 189 . 1 1 52 52 GLY H H 1 7.342 0.0 . 1 . . . . 52 GLY H . 15764 1 190 . 1 1 52 52 GLY C C 13 174.8 0.0 . 1 . . . . 52 GLY C . 15764 1 191 . 1 1 52 52 GLY CA C 13 46.01 0.0 . 1 . . . . 52 GLY CA . 15764 1 192 . 1 1 52 52 GLY N N 15 110.5 0.0 . 1 . . . . 52 GLY N . 15764 1 193 . 1 1 53 53 THR H H 1 8.274 0.0 . 1 . . . . 53 THR H . 15764 1 194 . 1 1 53 53 THR C C 13 175.5 0.0 . 1 . . . . 53 THR C . 15764 1 195 . 1 1 53 53 THR CA C 13 63.06 0.0 . 1 . . . . 53 THR CA . 15764 1 196 . 1 1 53 53 THR CB C 13 68.94 0.0 . 1 . . . . 53 THR CB . 15764 1 197 . 1 1 53 53 THR N N 15 119.5 0.0 . 1 . . . . 53 THR N . 15764 1 198 . 1 1 54 54 ALA H H 1 9.489 0.0 . 1 . . . . 54 ALA H . 15764 1 199 . 1 1 54 54 ALA C C 13 176.7 0.0 . 1 . . . . 54 ALA C . 15764 1 200 . 1 1 54 54 ALA CA C 13 50.55 0.0 . 1 . . . . 54 ALA CA . 15764 1 201 . 1 1 54 54 ALA CB C 13 20.02 0.0 . 1 . . . . 54 ALA CB . 15764 1 202 . 1 1 54 54 ALA N N 15 124.4 0.0 . 1 . . . . 54 ALA N . 15764 1 203 . 1 1 55 55 ASN H H 1 10.14 0.0 . 1 . . . . 55 ASN H . 15764 1 204 . 1 1 55 55 ASN C C 13 175.1 0.0 . 1 . . . . 55 ASN C . 15764 1 205 . 1 1 55 55 ASN CA C 13 52.49 0.0 . 1 . . . . 55 ASN CA . 15764 1 206 . 1 1 55 55 ASN CB C 13 42.70 0.0 . 1 . . . . 55 ASN CB . 15764 1 207 . 1 1 55 55 ASN N N 15 117.4 0.0 . 1 . . . . 55 ASN N . 15764 1 208 . 1 1 56 56 ALA H H 1 9.831 0.0 . 1 . . . . 56 ALA H . 15764 1 209 . 1 1 56 56 ALA C C 13 179.1 0.0 . 1 . . . . 56 ALA C . 15764 1 210 . 1 1 56 56 ALA CA C 13 52.08 0.0 . 1 . . . . 56 ALA CA . 15764 1 211 . 1 1 56 56 ALA CB C 13 17.68 0.0 . 1 . . . . 56 ALA CB . 15764 1 212 . 1 1 56 56 ALA N N 15 133.4 0.0 . 1 . . . . 56 ALA N . 15764 1 213 . 1 1 57 57 GLY H H 1 8.837 0.0 . 1 . . . . 57 GLY H . 15764 1 214 . 1 1 57 57 GLY C C 13 173.2 0.0 . 1 . . . . 57 GLY C . 15764 1 215 . 1 1 57 57 GLY CA C 13 45.14 0.0 . 1 . . . . 57 GLY CA . 15764 1 216 . 1 1 57 57 GLY N N 15 112.3 0.0 . 1 . . . . 57 GLY N . 15764 1 217 . 1 1 58 58 SER H H 1 7.364 0.0 . 1 . . . . 58 SER H . 15764 1 218 . 1 1 58 58 SER C C 13 173.2 0.0 . 1 . . . . 58 SER C . 15764 1 219 . 1 1 58 58 SER CA C 13 59.35 0.0 . 1 . . . . 58 SER CA . 15764 1 220 . 1 1 58 58 SER CB C 13 64.32 0.0 . 1 . . . . 58 SER CB . 15764 1 221 . 1 1 58 58 SER N N 15 113.2 0.0 . 1 . . . . 58 SER N . 15764 1 222 . 1 1 59 59 ASP H H 1 8.438 0.0 . 1 . . . . 59 ASP H . 15764 1 223 . 1 1 59 59 ASP C C 13 175.4 0.0 . 1 . . . . 59 ASP C . 15764 1 224 . 1 1 59 59 ASP CA C 13 55.27 0.0 . 1 . . . . 59 ASP CA . 15764 1 225 . 1 1 59 59 ASP CB C 13 44.58 0.0 . 1 . . . . 59 ASP CB . 15764 1 226 . 1 1 59 59 ASP N N 15 117.3 0.0 . 1 . . . . 59 ASP N . 15764 1 227 . 1 1 60 60 TYR H H 1 7.277 0.0 . 1 . . . . 60 TYR H . 15764 1 228 . 1 1 60 60 TYR C C 13 171.2 0.0 . 1 . . . . 60 TYR C . 15764 1 229 . 1 1 60 60 TYR CA C 13 55.66 0.0 . 1 . . . . 60 TYR CA . 15764 1 230 . 1 1 60 60 TYR CB C 13 39.91 0.0 . 1 . . . . 60 TYR CB . 15764 1 231 . 1 1 60 60 TYR N N 15 115.5 0.0 . 1 . . . . 60 TYR N . 15764 1 232 . 1 1 61 61 GLU H H 1 8.602 0.0 . 1 . . . . 61 GLU H . 15764 1 233 . 1 1 61 61 GLU C C 13 175.4 0.0 . 1 . . . . 61 GLU C . 15764 1 234 . 1 1 61 61 GLU CA C 13 55.00 0.0 . 1 . . . . 61 GLU CA . 15764 1 235 . 1 1 61 61 GLU N N 15 122.3 0.0 . 1 . . . . 61 GLU N . 15764 1 236 . 1 1 62 62 PHE H H 1 8.867 0.0 . 1 . . . . 62 PHE H . 15764 1 237 . 1 1 62 62 PHE C C 13 175.8 0.0 . 1 . . . . 62 PHE C . 15764 1 238 . 1 1 62 62 PHE CA C 13 59.88 0.0 . 1 . . . . 62 PHE CA . 15764 1 239 . 1 1 62 62 PHE N N 15 127.7 0.0 . 1 . . . . 62 PHE N . 15764 1 240 . 1 1 63 63 THR H H 1 7.656 0.0 . 1 . . . . 63 THR H . 15764 1 241 . 1 1 63 63 THR C C 13 169.7 0.0 . 1 . . . . 63 THR C . 15764 1 242 . 1 1 63 63 THR CA C 13 62.24 0.0 . 1 . . . . 63 THR CA . 15764 1 243 . 1 1 63 63 THR CB C 13 71.26 0.0 . 1 . . . . 63 THR CB . 15764 1 244 . 1 1 63 63 THR N N 15 124.8 0.0 . 1 . . . . 63 THR N . 15764 1 245 . 1 1 64 64 GLU H H 1 7.860 0.0 . 1 . . . . 64 GLU H . 15764 1 246 . 1 1 64 64 GLU C C 13 174.3 0.0 . 1 . . . . 64 GLU C . 15764 1 247 . 1 1 64 64 GLU CA C 13 53.56 0.0 . 1 . . . . 64 GLU CA . 15764 1 248 . 1 1 64 64 GLU CB C 13 32.34 0.0 . 1 . . . . 64 GLU CB . 15764 1 249 . 1 1 64 64 GLU N N 15 121.8 0.0 . 1 . . . . 64 GLU N . 15764 1 250 . 1 1 65 65 GLY H H 1 7.160 0.0 . 1 . . . . 65 GLY H . 15764 1 251 . 1 1 65 65 GLY C C 13 171.0 0.0 . 1 . . . . 65 GLY C . 15764 1 252 . 1 1 65 65 GLY CA C 13 45.66 0.0 . 1 . . . . 65 GLY CA . 15764 1 253 . 1 1 65 65 GLY N N 15 107.6 0.0 . 1 . . . . 65 GLY N . 15764 1 254 . 1 1 66 66 THR H H 1 8.297 0.0 . 1 . . . . 66 THR H . 15764 1 255 . 1 1 66 66 THR C C 13 174.3 0.0 . 1 . . . . 66 THR C . 15764 1 256 . 1 1 66 66 THR CA C 13 62.13 0.0 . 1 . . . . 66 THR CA . 15764 1 257 . 1 1 66 66 THR CB C 13 72.64 0.0 . 1 . . . . 66 THR CB . 15764 1 258 . 1 1 66 66 THR N N 15 117.4 0.0 . 1 . . . . 66 THR N . 15764 1 259 . 1 1 67 67 VAL H H 1 9.901 0.0 . 1 . . . . 67 VAL H . 15764 1 260 . 1 1 67 67 VAL C C 13 173.1 0.0 . 1 . . . . 67 VAL C . 15764 1 261 . 1 1 67 67 VAL CA C 13 60.91 0.0 . 1 . . . . 67 VAL CA . 15764 1 262 . 1 1 67 67 VAL CB C 13 33.40 0.0 . 1 . . . . 67 VAL CB . 15764 1 263 . 1 1 67 67 VAL N N 15 128.6 0.0 . 1 . . . . 67 VAL N . 15764 1 264 . 1 1 68 68 VAL H H 1 7.977 0.0 . 1 . . . . 68 VAL H . 15764 1 265 . 1 1 68 68 VAL C C 13 175.3 0.0 . 1 . . . . 68 VAL C . 15764 1 266 . 1 1 68 68 VAL CA C 13 60.14 0.0 . 1 . . . . 68 VAL CA . 15764 1 267 . 1 1 68 68 VAL CB C 13 33.69 0.0 . 1 . . . . 68 VAL CB . 15764 1 268 . 1 1 68 68 VAL N N 15 123.8 0.0 . 1 . . . . 68 VAL N . 15764 1 269 . 1 1 69 69 PHE H H 1 9.616 0.0 . 1 . . . . 69 PHE H . 15764 1 270 . 1 1 69 69 PHE C C 13 174.7 0.0 . 1 . . . . 69 PHE C . 15764 1 271 . 1 1 69 69 PHE CA C 13 56.96 0.0 . 1 . . . . 69 PHE CA . 15764 1 272 . 1 1 69 69 PHE CB C 13 38.61 0.0 . 1 . . . . 69 PHE CB . 15764 1 273 . 1 1 69 69 PHE N N 15 126.4 0.0 . 1 . . . . 69 PHE N . 15764 1 274 . 1 1 70 70 LYS H H 1 8.794 0.0 . 1 . . . . 70 LYS H . 15764 1 275 . 1 1 70 70 LYS C C 13 173.8 0.0 . 1 . . . . 70 LYS C . 15764 1 276 . 1 1 70 70 LYS CA C 13 55.12 0.0 . 1 . . . . 70 LYS CA . 15764 1 277 . 1 1 70 70 LYS N N 15 123.5 0.0 . 1 . . . . 70 LYS N . 15764 1 278 . 1 1 71 71 PRO C C 13 178.0 0.0 . 1 . . . . 71 PRO C . 15764 1 279 . 1 1 71 71 PRO CA C 13 64.97 0.0 . 1 . . . . 71 PRO CA . 15764 1 280 . 1 1 71 71 PRO CB C 13 31.64 0.0 . 1 . . . . 71 PRO CB . 15764 1 281 . 1 1 72 72 GLY H H 1 8.965 0.0 . 1 . . . . 72 GLY H . 15764 1 282 . 1 1 72 72 GLY C C 13 174.3 0.0 . 1 . . . . 72 GLY C . 15764 1 283 . 1 1 72 72 GLY CA C 13 45.40 0.0 . 1 . . . . 72 GLY CA . 15764 1 284 . 1 1 72 72 GLY N N 15 111.8 0.0 . 1 . . . . 72 GLY N . 15764 1 285 . 1 1 73 73 GLU H H 1 8.301 0.0 . 1 . . . . 73 GLU H . 15764 1 286 . 1 1 73 73 GLU CA C 13 58.14 0.0 . 1 . . . . 73 GLU CA . 15764 1 287 . 1 1 73 73 GLU N N 15 118.8 0.0 . 1 . . . . 73 GLU N . 15764 1 288 . 1 1 74 74 THR C C 13 173.8 0.0 . 1 . . . . 74 THR C . 15764 1 289 . 1 1 74 74 THR CA C 13 61.96 0.0 . 1 . . . . 74 THR CA . 15764 1 290 . 1 1 74 74 THR CB C 13 71.33 0.0 . 1 . . . . 74 THR CB . 15764 1 291 . 1 1 75 75 GLN H H 1 7.786 0.0 . 1 . . . . 75 GLN H . 15764 1 292 . 1 1 75 75 GLN C C 13 174.4 0.0 . 1 . . . . 75 GLN C . 15764 1 293 . 1 1 75 75 GLN CA C 13 55.22 0.0 . 1 . . . . 75 GLN CA . 15764 1 294 . 1 1 75 75 GLN CB C 13 32.10 0.0 . 1 . . . . 75 GLN CB . 15764 1 295 . 1 1 75 75 GLN N N 15 119.2 0.0 . 1 . . . . 75 GLN N . 15764 1 296 . 1 1 76 76 LYS H H 1 9.056 0.0 . 1 . . . . 76 LYS H . 15764 1 297 . 1 1 76 76 LYS C C 13 173.9 0.0 . 1 . . . . 76 LYS C . 15764 1 298 . 1 1 76 76 LYS CA C 13 53.13 0.0 . 1 . . . . 76 LYS CA . 15764 1 299 . 1 1 76 76 LYS CB C 13 35.23 0.0 . 1 . . . . 76 LYS CB . 15764 1 300 . 1 1 76 76 LYS N N 15 122.7 0.0 . 1 . . . . 76 LYS N . 15764 1 301 . 1 1 77 77 GLU H H 1 8.246 0.0 . 1 . . . . 77 GLU H . 15764 1 302 . 1 1 77 77 GLU C C 13 176.4 0.0 . 1 . . . . 77 GLU C . 15764 1 303 . 1 1 77 77 GLU CA C 13 54.86 0.0 . 1 . . . . 77 GLU CA . 15764 1 304 . 1 1 77 77 GLU N N 15 121.7 0.0 . 1 . . . . 77 GLU N . 15764 1 305 . 1 1 78 78 ILE H H 1 8.617 0.0 . 1 . . . . 78 ILE H . 15764 1 306 . 1 1 78 78 ILE C C 13 174.1 0.0 . 1 . . . . 78 ILE C . 15764 1 307 . 1 1 78 78 ILE CA C 13 59.52 0.0 . 1 . . . . 78 ILE CA . 15764 1 308 . 1 1 78 78 ILE CB C 13 41.08 0.0 . 1 . . . . 78 ILE CB . 15764 1 309 . 1 1 78 78 ILE N N 15 119.1 0.0 . 1 . . . . 78 ILE N . 15764 1 310 . 1 1 79 79 ARG H H 1 7.941 0.0 . 1 . . . . 79 ARG H . 15764 1 311 . 1 1 79 79 ARG C C 13 175.3 0.0 . 1 . . . . 79 ARG C . 15764 1 312 . 1 1 79 79 ARG CA C 13 54.18 0.0 . 1 . . . . 79 ARG CA . 15764 1 313 . 1 1 79 79 ARG CB C 13 33.92 0.0 . 1 . . . . 79 ARG CB . 15764 1 314 . 1 1 79 79 ARG N N 15 119.4 0.0 . 1 . . . . 79 ARG N . 15764 1 315 . 1 1 80 80 VAL H H 1 8.335 0.0 . 1 . . . . 80 VAL H . 15764 1 316 . 1 1 80 80 VAL C C 13 175.8 0.0 . 1 . . . . 80 VAL C . 15764 1 317 . 1 1 80 80 VAL CA C 13 60.94 0.0 . 1 . . . . 80 VAL CA . 15764 1 318 . 1 1 80 80 VAL CB C 13 35.00 0.0 . 1 . . . . 80 VAL CB . 15764 1 319 . 1 1 80 80 VAL N N 15 120.8 0.0 . 1 . . . . 80 VAL N . 15764 1 320 . 1 1 81 81 GLY H H 1 9.214 0.0 . 1 . . . . 81 GLY H . 15764 1 321 . 1 1 81 81 GLY C C 13 171.6 0.0 . 1 . . . . 81 GLY C . 15764 1 322 . 1 1 81 81 GLY CA C 13 46.06 0.0 . 1 . . . . 81 GLY CA . 15764 1 323 . 1 1 81 81 GLY N N 15 114.8 0.0 . 1 . . . . 81 GLY N . 15764 1 324 . 1 1 82 82 ILE H H 1 8.121 0.0 . 1 . . . . 82 ILE H . 15764 1 325 . 1 1 82 82 ILE C C 13 176.8 0.0 . 1 . . . . 82 ILE C . 15764 1 326 . 1 1 82 82 ILE CA C 13 58.02 0.0 . 1 . . . . 82 ILE CA . 15764 1 327 . 1 1 82 82 ILE CB C 13 37.31 0.0 . 1 . . . . 82 ILE CB . 15764 1 328 . 1 1 82 82 ILE N N 15 126.5 0.0 . 1 . . . . 82 ILE N . 15764 1 329 . 1 1 83 83 ILE H H 1 7.530 0.0 . 1 . . . . 83 ILE H . 15764 1 330 . 1 1 83 83 ILE C C 13 174.2 0.0 . 1 . . . . 83 ILE C . 15764 1 331 . 1 1 83 83 ILE CA C 13 61.81 0.0 . 1 . . . . 83 ILE CA . 15764 1 332 . 1 1 83 83 ILE CB C 13 38.43 0.0 . 1 . . . . 83 ILE CB . 15764 1 333 . 1 1 83 83 ILE N N 15 130.1 0.0 . 1 . . . . 83 ILE N . 15764 1 334 . 1 1 84 84 ASP H H 1 8.530 0.0 . 1 . . . . 84 ASP H . 15764 1 335 . 1 1 84 84 ASP C C 13 175.5 0.0 . 1 . . . . 84 ASP C . 15764 1 336 . 1 1 84 84 ASP CA C 13 53.02 0.0 . 1 . . . . 84 ASP CA . 15764 1 337 . 1 1 84 84 ASP CB C 13 40.85 0.0 . 1 . . . . 84 ASP CB . 15764 1 338 . 1 1 84 84 ASP N N 15 127.6 0.0 . 1 . . . . 84 ASP N . 15764 1 339 . 1 1 85 85 ASP H H 1 8.097 0.0 . 1 . . . . 85 ASP H . 15764 1 340 . 1 1 85 85 ASP C C 13 175.7 0.0 . 1 . . . . 85 ASP C . 15764 1 341 . 1 1 85 85 ASP CA C 13 53.95 0.0 . 1 . . . . 85 ASP CA . 15764 1 342 . 1 1 85 85 ASP CB C 13 42.35 0.0 . 1 . . . . 85 ASP CB . 15764 1 343 . 1 1 85 85 ASP N N 15 123.5 0.0 . 1 . . . . 85 ASP N . 15764 1 344 . 1 1 86 86 ASP H H 1 8.436 0.0 . 1 . . . . 86 ASP H . 15764 1 345 . 1 1 86 86 ASP C C 13 175.7 0.0 . 1 . . . . 86 ASP C . 15764 1 346 . 1 1 86 86 ASP CA C 13 54.70 0.0 . 1 . . . . 86 ASP CA . 15764 1 347 . 1 1 86 86 ASP CB C 13 41.48 0.0 . 1 . . . . 86 ASP CB . 15764 1 348 . 1 1 86 86 ASP N N 15 119.1 0.0 . 1 . . . . 86 ASP N . 15764 1 349 . 1 1 87 87 ILE H H 1 8.125 0.0 . 1 . . . . 87 ILE H . 15764 1 350 . 1 1 87 87 ILE C C 13 175.3 0.0 . 1 . . . . 87 ILE C . 15764 1 351 . 1 1 87 87 ILE CA C 13 60.79 0.0 . 1 . . . . 87 ILE CA . 15764 1 352 . 1 1 87 87 ILE CB C 13 38.55 0.0 . 1 . . . . 87 ILE CB . 15764 1 353 . 1 1 87 87 ILE N N 15 120.1 0.0 . 1 . . . . 87 ILE N . 15764 1 354 . 1 1 88 88 PHE H H 1 8.461 0.0 . 1 . . . . 88 PHE H . 15764 1 355 . 1 1 88 88 PHE C C 13 175.0 0.0 . 1 . . . . 88 PHE C . 15764 1 356 . 1 1 88 88 PHE CA C 13 58.52 0.0 . 1 . . . . 88 PHE CA . 15764 1 357 . 1 1 88 88 PHE CB C 13 40.51 0.0 . 1 . . . . 88 PHE CB . 15764 1 358 . 1 1 88 88 PHE N N 15 127.4 0.0 . 1 . . . . 88 PHE N . 15764 1 359 . 1 1 89 89 GLU H H 1 7.916 0.0 . 1 . . . . 89 GLU H . 15764 1 360 . 1 1 89 89 GLU C C 13 174.4 0.0 . 1 . . . . 89 GLU C . 15764 1 361 . 1 1 89 89 GLU CA C 13 55.90 0.0 . 1 . . . . 89 GLU CA . 15764 1 362 . 1 1 89 89 GLU CB C 13 31.57 0.0 . 1 . . . . 89 GLU CB . 15764 1 363 . 1 1 89 89 GLU N N 15 125.6 0.0 . 1 . . . . 89 GLU N . 15764 1 364 . 1 1 90 90 GLU H H 1 7.825 0.0 . 1 . . . . 90 GLU H . 15764 1 365 . 1 1 90 90 GLU C C 13 174.8 0.0 . 1 . . . . 90 GLU C . 15764 1 366 . 1 1 90 90 GLU CA C 13 56.44 0.0 . 1 . . . . 90 GLU CA . 15764 1 367 . 1 1 90 90 GLU CB C 13 30.70 0.0 . 1 . . . . 90 GLU CB . 15764 1 368 . 1 1 90 90 GLU N N 15 118.4 0.0 . 1 . . . . 90 GLU N . 15764 1 369 . 1 1 91 91 ASP H H 1 8.304 0.0 . 1 . . . . 91 ASP H . 15764 1 370 . 1 1 91 91 ASP CA C 13 54.70 0.0 . 1 . . . . 91 ASP CA . 15764 1 371 . 1 1 91 91 ASP N N 15 118.8 0.0 . 1 . . . . 91 ASP N . 15764 1 372 . 1 1 93 93 ASN H H 1 8.327 0.0 . 1 . . . . 93 ASN H . 15764 1 373 . 1 1 93 93 ASN C C 13 174.0 0.0 . 1 . . . . 93 ASN C . 15764 1 374 . 1 1 93 93 ASN CA C 13 51.20 0.0 . 1 . . . . 93 ASN CA . 15764 1 375 . 1 1 93 93 ASN CB C 13 42.80 0.0 . 1 . . . . 93 ASN CB . 15764 1 376 . 1 1 93 93 ASN N N 15 117.5 0.0 . 1 . . . . 93 ASN N . 15764 1 377 . 1 1 94 94 PHE H H 1 8.769 0.0 . 1 . . . . 94 PHE H . 15764 1 378 . 1 1 94 94 PHE C C 13 171.0 0.0 . 1 . . . . 94 PHE C . 15764 1 379 . 1 1 94 94 PHE CA C 13 56.82 0.0 . 1 . . . . 94 PHE CA . 15764 1 380 . 1 1 94 94 PHE CB C 13 40.73 0.0 . 1 . . . . 94 PHE CB . 15764 1 381 . 1 1 94 94 PHE N N 15 116.6 0.0 . 1 . . . . 94 PHE N . 15764 1 382 . 1 1 95 95 LEU H H 1 9.068 0.0 . 1 . . . . 95 LEU H . 15764 1 383 . 1 1 95 95 LEU C C 13 176.7 0.0 . 1 . . . . 95 LEU C . 15764 1 384 . 1 1 95 95 LEU CA C 13 53.39 0.0 . 1 . . . . 95 LEU CA . 15764 1 385 . 1 1 95 95 LEU CB C 13 45.72 0.0 . 1 . . . . 95 LEU CB . 15764 1 386 . 1 1 95 95 LEU N N 15 119.1 0.0 . 1 . . . . 95 LEU N . 15764 1 387 . 1 1 96 96 VAL H H 1 8.492 0.0 . 1 . . . . 96 VAL H . 15764 1 388 . 1 1 96 96 VAL C C 13 174.5 0.0 . 1 . . . . 96 VAL C . 15764 1 389 . 1 1 96 96 VAL CA C 13 61.42 0.0 . 1 . . . . 96 VAL CA . 15764 1 390 . 1 1 96 96 VAL N N 15 117.5 0.0 . 1 . . . . 96 VAL N . 15764 1 391 . 1 1 97 97 HIS H H 1 9.050 0.0 . 1 . . . . 97 HIS H . 15764 1 392 . 1 1 97 97 HIS C C 13 177.1 0.0 . 1 . . . . 97 HIS C . 15764 1 393 . 1 1 97 97 HIS CA C 13 55.27 0.0 . 1 . . . . 97 HIS CA . 15764 1 394 . 1 1 97 97 HIS CB C 13 34.69 0.0 . 1 . . . . 97 HIS CB . 15764 1 395 . 1 1 97 97 HIS N N 15 123.7 0.0 . 1 . . . . 97 HIS N . 15764 1 396 . 1 1 98 98 LEU H H 1 8.808 0.0 . 1 . . . . 98 LEU H . 15764 1 397 . 1 1 98 98 LEU C C 13 176.7 0.0 . 1 . . . . 98 LEU C . 15764 1 398 . 1 1 98 98 LEU CA C 13 53.23 0.0 . 1 . . . . 98 LEU CA . 15764 1 399 . 1 1 98 98 LEU CB C 13 44.01 0.0 . 1 . . . . 98 LEU CB . 15764 1 400 . 1 1 98 98 LEU N N 15 122.3 0.0 . 1 . . . . 98 LEU N . 15764 1 401 . 1 1 99 99 SER H H 1 8.951 0.0 . 1 . . . . 99 SER H . 15764 1 402 . 1 1 99 99 SER C C 13 172.5 0.0 . 1 . . . . 99 SER C . 15764 1 403 . 1 1 99 99 SER CA C 13 58.15 0.0 . 1 . . . . 99 SER CA . 15764 1 404 . 1 1 99 99 SER N N 15 112.1 0.0 . 1 . . . . 99 SER N . 15764 1 405 . 1 1 100 100 ASN H H 1 8.678 0.0 . 1 . . . . 100 ASN H . 15764 1 406 . 1 1 100 100 ASN C C 13 173.3 0.0 . 1 . . . . 100 ASN C . 15764 1 407 . 1 1 100 100 ASN CA C 13 53.58 0.0 . 1 . . . . 100 ASN CA . 15764 1 408 . 1 1 100 100 ASN CB C 13 37.20 0.0 . 1 . . . . 100 ASN CB . 15764 1 409 . 1 1 100 100 ASN N N 15 115.7 0.0 . 1 . . . . 100 ASN N . 15764 1 410 . 1 1 101 101 VAL H H 1 8.049 0.0 . 1 . . . . 101 VAL H . 15764 1 411 . 1 1 101 101 VAL C C 13 177.4 0.0 . 1 . . . . 101 VAL C . 15764 1 412 . 1 1 101 101 VAL CA C 13 63.16 0.0 . 1 . . . . 101 VAL CA . 15764 1 413 . 1 1 101 101 VAL CB C 13 31.56 0.0 . 1 . . . . 101 VAL CB . 15764 1 414 . 1 1 101 101 VAL N N 15 118.1 0.0 . 1 . . . . 101 VAL N . 15764 1 415 . 1 1 102 102 LYS H H 1 9.258 0.0 . 1 . . . . 102 LYS H . 15764 1 416 . 1 1 102 102 LYS C C 13 174.4 0.0 . 1 . . . . 102 LYS C . 15764 1 417 . 1 1 102 102 LYS CA C 13 54.93 0.0 . 1 . . . . 102 LYS CA . 15764 1 418 . 1 1 102 102 LYS CB C 13 37.01 0.0 . 1 . . . . 102 LYS CB . 15764 1 419 . 1 1 102 102 LYS N N 15 129.5 0.0 . 1 . . . . 102 LYS N . 15764 1 420 . 1 1 103 103 VAL H H 1 8.677 0.0 . 1 . . . . 103 VAL H . 15764 1 421 . 1 1 103 103 VAL C C 13 175.6 0.0 . 1 . . . . 103 VAL C . 15764 1 422 . 1 1 103 103 VAL CA C 13 60.65 0.0 . 1 . . . . 103 VAL CA . 15764 1 423 . 1 1 103 103 VAL CB C 13 34.51 0.0 . 1 . . . . 103 VAL CB . 15764 1 424 . 1 1 103 103 VAL N N 15 120.1 0.0 . 1 . . . . 103 VAL N . 15764 1 425 . 1 1 104 104 SER H H 1 8.868 0.0 . 1 . . . . 104 SER H . 15764 1 426 . 1 1 104 104 SER C C 13 174.0 0.0 . 1 . . . . 104 SER C . 15764 1 427 . 1 1 104 104 SER CA C 13 57.95 0.0 . 1 . . . . 104 SER CA . 15764 1 428 . 1 1 104 104 SER CB C 13 64.89 0.0 . 1 . . . . 104 SER CB . 15764 1 429 . 1 1 104 104 SER N N 15 120.7 0.0 . 1 . . . . 104 SER N . 15764 1 430 . 1 1 105 105 SER H H 1 8.587 0.0 . 1 . . . . 105 SER H . 15764 1 431 . 1 1 105 105 SER C C 13 174.4 0.0 . 1 . . . . 105 SER C . 15764 1 432 . 1 1 105 105 SER CA C 13 57.83 0.0 . 1 . . . . 105 SER CA . 15764 1 433 . 1 1 105 105 SER CB C 13 64.49 0.0 . 1 . . . . 105 SER CB . 15764 1 434 . 1 1 105 105 SER N N 15 119.7 0.0 . 1 . . . . 105 SER N . 15764 1 435 . 1 1 106 106 GLU H H 1 8.478 0.0 . 9 . . . . 106 GLU H . 15764 1 436 . 1 1 106 106 GLU C C 13 176.1 0.0 . 1 . . . . 106 GLU C . 15764 1 437 . 1 1 106 106 GLU CA C 13 56.85 0.0 . 1 . . . . 106 GLU CA . 15764 1 438 . 1 1 106 106 GLU CB C 13 30.11 0.0 . 1 . . . . 106 GLU CB . 15764 1 439 . 1 1 106 106 GLU N N 15 122.9 0.0 . 9 . . . . 106 GLU N . 15764 1 440 . 1 1 107 107 ALA H H 1 8.303 0.0 . 1 . . . . 107 ALA H . 15764 1 441 . 1 1 107 107 ALA C C 13 177.6 0.0 . 1 . . . . 107 ALA C . 15764 1 442 . 1 1 107 107 ALA CA C 13 52.45 0.0 . 1 . . . . 107 ALA CA . 15764 1 443 . 1 1 107 107 ALA CB C 13 19.16 0.0 . 1 . . . . 107 ALA CB . 15764 1 444 . 1 1 107 107 ALA N N 15 124.1 0.0 . 1 . . . . 107 ALA N . 15764 1 445 . 1 1 108 108 SER H H 1 8.125 0.0 . 1 . . . . 108 SER H . 15764 1 446 . 1 1 108 108 SER C C 13 175.2 0.0 . 1 . . . . 108 SER C . 15764 1 447 . 1 1 108 108 SER CA C 13 58.12 0.0 . 1 . . . . 108 SER CA . 15764 1 448 . 1 1 108 108 SER N N 15 114.9 0.0 . 1 . . . . 108 SER N . 15764 1 449 . 1 1 109 109 GLU H H 1 8.676 0.0 . 9 . . . . 109 GLU H . 15764 1 450 . 1 1 109 109 GLU C C 13 176.5 0.0 . 1 . . . . 109 GLU C . 15764 1 451 . 1 1 109 109 GLU CA C 13 57.52 0.0 . 1 . . . . 109 GLU CA . 15764 1 452 . 1 1 109 109 GLU CB C 13 29.78 0.0 . 1 . . . . 109 GLU CB . 15764 1 453 . 1 1 109 109 GLU N N 15 123.4 0.0 . 9 . . . . 109 GLU N . 15764 1 454 . 1 1 110 110 ASP H H 1 8.204 0.0 . 1 . . . . 110 ASP H . 15764 1 455 . 1 1 110 110 ASP C C 13 176.7 0.0 . 1 . . . . 110 ASP C . 15764 1 456 . 1 1 110 110 ASP CA C 13 54.58 0.0 . 1 . . . . 110 ASP CA . 15764 1 457 . 1 1 110 110 ASP CB C 13 41.06 0.0 . 1 . . . . 110 ASP CB . 15764 1 458 . 1 1 110 110 ASP N N 15 119.0 0.0 . 1 . . . . 110 ASP N . 15764 1 459 . 1 1 111 111 GLY H H 1 8.083 0.0 . 1 . . . . 111 GLY H . 15764 1 460 . 1 1 111 111 GLY C C 13 174.1 0.0 . 1 . . . . 111 GLY C . 15764 1 461 . 1 1 111 111 GLY CA C 13 45.63 0.0 . 1 . . . . 111 GLY CA . 15764 1 462 . 1 1 111 111 GLY N N 15 108.5 0.0 . 1 . . . . 111 GLY N . 15764 1 463 . 1 1 112 112 ILE H H 1 7.832 0.0 . 1 . . . . 112 ILE H . 15764 1 464 . 1 1 112 112 ILE C C 13 176.2 0.0 . 1 . . . . 112 ILE C . 15764 1 465 . 1 1 112 112 ILE CA C 13 61.24 0.0 . 1 . . . . 112 ILE CA . 15764 1 466 . 1 1 112 112 ILE CB C 13 38.13 0.0 . 1 . . . . 112 ILE CB . 15764 1 467 . 1 1 112 112 ILE N N 15 120.2 0.0 . 1 . . . . 112 ILE N . 15764 1 468 . 1 1 113 113 LEU H H 1 8.284 0.0 . 1 . . . . 113 LEU H . 15764 1 469 . 1 1 113 113 LEU C C 13 177.1 0.0 . 1 . . . . 113 LEU C . 15764 1 470 . 1 1 113 113 LEU CA C 13 55.19 0.0 . 1 . . . . 113 LEU CA . 15764 1 471 . 1 1 113 113 LEU CB C 13 42.45 0.0 . 1 . . . . 113 LEU CB . 15764 1 472 . 1 1 113 113 LEU N N 15 125.9 0.0 . 1 . . . . 113 LEU N . 15764 1 473 . 1 1 114 114 GLU H H 1 8.328 0.0 . 1 . . . . 114 GLU H . 15764 1 474 . 1 1 114 114 GLU C C 13 176.1 0.0 . 1 . . . . 114 GLU C . 15764 1 475 . 1 1 114 114 GLU CA C 13 56.44 0.0 . 1 . . . . 114 GLU CA . 15764 1 476 . 1 1 114 114 GLU CB C 13 30.16 0.0 . 1 . . . . 114 GLU CB . 15764 1 477 . 1 1 114 114 GLU N N 15 121.8 0.0 . 1 . . . . 114 GLU N . 15764 1 478 . 1 1 115 115 ALA H H 1 8.240 0.0 . 1 . . . . 115 ALA H . 15764 1 479 . 1 1 115 115 ALA C C 13 177.3 0.0 . 1 . . . . 115 ALA C . 15764 1 480 . 1 1 115 115 ALA CA C 13 52.82 0.0 . 1 . . . . 115 ALA CA . 15764 1 481 . 1 1 115 115 ALA CB C 13 19.18 0.0 . 1 . . . . 115 ALA CB . 15764 1 482 . 1 1 115 115 ALA N N 15 124.6 0.0 . 1 . . . . 115 ALA N . 15764 1 483 . 1 1 116 116 ASN H H 1 8.289 0.0 . 9 . . . . 116 ASN H . 15764 1 484 . 1 1 116 116 ASN N N 15 116.7 0.0 . 9 . . . . 116 ASN N . 15764 1 485 . 1 1 117 117 HIS CA C 13 56.04 0.0 . 1 . . . . 117 HIS CA . 15764 1 486 . 1 1 117 117 HIS CB C 13 30.87 0.0 . 1 . . . . 117 HIS CB . 15764 1 487 . 1 1 118 118 VAL H H 1 7.664 0.0 . 1 . . . . 118 VAL H . 15764 1 488 . 1 1 118 118 VAL C C 13 175.4 0.0 . 1 . . . . 118 VAL C . 15764 1 489 . 1 1 118 118 VAL CA C 13 61.19 0.0 . 1 . . . . 118 VAL CA . 15764 1 490 . 1 1 118 118 VAL CB C 13 33.88 0.0 . 1 . . . . 118 VAL CB . 15764 1 491 . 1 1 118 118 VAL N N 15 120.6 0.0 . 1 . . . . 118 VAL N . 15764 1 492 . 1 1 119 119 SER H H 1 8.078 0.0 . 1 . . . . 119 SER H . 15764 1 493 . 1 1 119 119 SER N N 15 121.7 0.0 . 1 . . . . 119 SER N . 15764 1 494 . 1 1 120 120 ALA C C 13 177.2 0.0 . 1 . . . . 120 ALA C . 15764 1 495 . 1 1 120 120 ALA CA C 13 52.65 0.0 . 1 . . . . 120 ALA CA . 15764 1 496 . 1 1 121 121 LEU H H 1 8.136 0.0 . 1 . . . . 121 LEU H . 15764 1 497 . 1 1 121 121 LEU C C 13 177.1 0.0 . 1 . . . . 121 LEU C . 15764 1 498 . 1 1 121 121 LEU CA C 13 55.65 0.0 . 1 . . . . 121 LEU CA . 15764 1 499 . 1 1 121 121 LEU CB C 13 43.37 0.0 . 1 . . . . 121 LEU CB . 15764 1 500 . 1 1 121 121 LEU N N 15 116.9 0.0 . 1 . . . . 121 LEU N . 15764 1 501 . 1 1 122 122 ALA H H 1 7.814 0.0 . 1 . . . . 122 ALA H . 15764 1 502 . 1 1 122 122 ALA C C 13 174.6 0.0 . 1 . . . . 122 ALA C . 15764 1 503 . 1 1 122 122 ALA CA C 13 51.15 0.0 . 1 . . . . 122 ALA CA . 15764 1 504 . 1 1 122 122 ALA CB C 13 21.68 0.0 . 1 . . . . 122 ALA CB . 15764 1 505 . 1 1 122 122 ALA N N 15 121.4 0.0 . 1 . . . . 122 ALA N . 15764 1 506 . 1 1 123 123 CYS H H 1 8.858 0.0 . 1 . . . . 123 CYS H . 15764 1 507 . 1 1 123 123 CYS C C 13 172.4 0.0 . 1 . . . . 123 CYS C . 15764 1 508 . 1 1 123 123 CYS CA C 13 55.70 0.0 . 1 . . . . 123 CYS CA . 15764 1 509 . 1 1 123 123 CYS CB C 13 31.55 0.0 . 1 . . . . 123 CYS CB . 15764 1 510 . 1 1 123 123 CYS N N 15 115.5 0.0 . 1 . . . . 123 CYS N . 15764 1 511 . 1 1 124 124 LEU H H 1 8.613 0.0 . 1 . . . . 124 LEU H . 15764 1 512 . 1 1 124 124 LEU C C 13 178.5 0.0 . 1 . . . . 124 LEU C . 15764 1 513 . 1 1 124 124 LEU CA C 13 55.62 0.0 . 1 . . . . 124 LEU CA . 15764 1 514 . 1 1 124 124 LEU CB C 13 42.45 0.0 . 1 . . . . 124 LEU CB . 15764 1 515 . 1 1 124 124 LEU N N 15 120.3 0.0 . 1 . . . . 124 LEU N . 15764 1 516 . 1 1 125 125 GLY H H 1 9.148 0.0 . 1 . . . . 125 GLY H . 15764 1 517 . 1 1 125 125 GLY C C 13 171.5 0.0 . 1 . . . . 125 GLY C . 15764 1 518 . 1 1 125 125 GLY CA C 13 43.64 0.0 . 1 . . . . 125 GLY CA . 15764 1 519 . 1 1 125 125 GLY N N 15 111.9 0.0 . 1 . . . . 125 GLY N . 15764 1 520 . 1 1 126 126 SER H H 1 7.809 0.0 . 1 . . . . 126 SER H . 15764 1 521 . 1 1 126 126 SER C C 13 172.2 0.0 . 1 . . . . 126 SER C . 15764 1 522 . 1 1 126 126 SER CA C 13 54.55 0.0 . 1 . . . . 126 SER CA . 15764 1 523 . 1 1 126 126 SER N N 15 114.4 0.0 . 1 . . . . 126 SER N . 15764 1 524 . 1 1 127 127 PRO C C 13 176.0 0.0 . 1 . . . . 127 PRO C . 15764 1 525 . 1 1 127 127 PRO CA C 13 63.22 0.0 . 1 . . . . 127 PRO CA . 15764 1 526 . 1 1 128 128 SER H H 1 9.417 0.0 . 1 . . . . 128 SER H . 15764 1 527 . 1 1 128 128 SER C C 13 172.4 0.0 . 1 . . . . 128 SER C . 15764 1 528 . 1 1 128 128 SER CA C 13 58.37 0.0 . 1 . . . . 128 SER CA . 15764 1 529 . 1 1 128 128 SER CB C 13 63.93 0.0 . 1 . . . . 128 SER CB . 15764 1 530 . 1 1 128 128 SER N N 15 117.5 0.0 . 1 . . . . 128 SER N . 15764 1 531 . 1 1 129 129 THR H H 1 7.818 0.0 . 1 . . . . 129 THR H . 15764 1 532 . 1 1 129 129 THR C C 13 172.5 0.0 . 1 . . . . 129 THR C . 15764 1 533 . 1 1 129 129 THR CA C 13 62.68 0.0 . 1 . . . . 129 THR CA . 15764 1 534 . 1 1 129 129 THR CB C 13 73.32 0.0 . 1 . . . . 129 THR CB . 15764 1 535 . 1 1 129 129 THR N N 15 120.0 0.0 . 1 . . . . 129 THR N . 15764 1 536 . 1 1 130 130 ALA H H 1 8.963 0.0 . 1 . . . . 130 ALA H . 15764 1 537 . 1 1 130 130 ALA C C 13 175.9 0.0 . 1 . . . . 130 ALA C . 15764 1 538 . 1 1 130 130 ALA CA C 13 49.24 0.0 . 1 . . . . 130 ALA CA . 15764 1 539 . 1 1 130 130 ALA CB C 13 19.93 0.0 . 1 . . . . 130 ALA CB . 15764 1 540 . 1 1 130 130 ALA N N 15 128.8 0.0 . 1 . . . . 130 ALA N . 15764 1 541 . 1 1 131 131 THR H H 1 8.043 0.0 . 1 . . . . 131 THR H . 15764 1 542 . 1 1 131 131 THR C C 13 173.6 0.0 . 1 . . . . 131 THR C . 15764 1 543 . 1 1 131 131 THR CA C 13 61.66 0.0 . 1 . . . . 131 THR CA . 15764 1 544 . 1 1 131 131 THR CB C 13 69.82 0.0 . 1 . . . . 131 THR CB . 15764 1 545 . 1 1 131 131 THR N N 15 115.8 0.0 . 1 . . . . 131 THR N . 15764 1 546 . 1 1 132 132 VAL H H 1 8.909 0.0 . 1 . . . . 132 VAL H . 15764 1 547 . 1 1 132 132 VAL C C 13 174.4 0.0 . 1 . . . . 132 VAL C . 15764 1 548 . 1 1 132 132 VAL CA C 13 60.38 0.0 . 1 . . . . 132 VAL CA . 15764 1 549 . 1 1 132 132 VAL CB C 13 31.25 0.0 . 1 . . . . 132 VAL CB . 15764 1 550 . 1 1 132 132 VAL N N 15 129.5 0.0 . 1 . . . . 132 VAL N . 15764 1 551 . 1 1 133 133 THR H H 1 8.468 0.0 . 1 . . . . 133 THR H . 15764 1 552 . 1 1 133 133 THR C C 13 172.3 0.0 . 1 . . . . 133 THR C . 15764 1 553 . 1 1 133 133 THR CA C 13 61.63 0.0 . 1 . . . . 133 THR CA . 15764 1 554 . 1 1 133 133 THR CB C 13 70.31 0.0 . 1 . . . . 133 THR CB . 15764 1 555 . 1 1 133 133 THR N N 15 122.4 0.0 . 1 . . . . 133 THR N . 15764 1 556 . 1 1 134 134 ILE H H 1 8.606 0.0 . 1 . . . . 134 ILE H . 15764 1 557 . 1 1 134 134 ILE C C 13 175.2 0.0 . 1 . . . . 134 ILE C . 15764 1 558 . 1 1 134 134 ILE CA C 13 60.49 0.0 . 1 . . . . 134 ILE CA . 15764 1 559 . 1 1 134 134 ILE CB C 13 39.51 0.0 . 1 . . . . 134 ILE CB . 15764 1 560 . 1 1 134 134 ILE N N 15 127.4 0.0 . 1 . . . . 134 ILE N . 15764 1 561 . 1 1 135 135 PHE H H 1 9.026 0.0 . 9 . . . . 135 PHE H . 15764 1 562 . 1 1 135 135 PHE C C 13 174.1 0.0 . 1 . . . . 135 PHE C . 15764 1 563 . 1 1 135 135 PHE CA C 13 56.31 0.0 . 1 . . . . 135 PHE CA . 15764 1 564 . 1 1 135 135 PHE N N 15 124.9 0.0 . 9 . . . . 135 PHE N . 15764 1 565 . 1 1 136 136 ASP H H 1 8.196 0.0 . 1 . . . . 136 ASP H . 15764 1 566 . 1 1 136 136 ASP C C 13 175.9 0.0 . 1 . . . . 136 ASP C . 15764 1 567 . 1 1 136 136 ASP CA C 13 53.03 0.0 . 1 . . . . 136 ASP CA . 15764 1 568 . 1 1 136 136 ASP N N 15 118.9 0.0 . 1 . . . . 136 ASP N . 15764 1 569 . 1 1 137 137 ASP H H 1 8.266 0.0 . 9 . . . . 137 ASP H . 15764 1 570 . 1 1 137 137 ASP N N 15 120.1 0.0 . 9 . . . . 137 ASP N . 15764 1 571 . 1 1 138 138 ASP CA C 13 54.61 0.0 . 1 . . . . 138 ASP CA . 15764 1 572 . 1 1 138 138 ASP CB C 13 40.74 0.0 . 1 . . . . 138 ASP CB . 15764 1 573 . 1 1 139 139 HIS H H 1 8.219 0.0 . 1 . . . . 139 HIS H . 15764 1 574 . 1 1 139 139 HIS C C 13 174.9 0.0 . 1 . . . . 139 HIS C . 15764 1 575 . 1 1 139 139 HIS CA C 13 56.69 0.0 . 1 . . . . 139 HIS CA . 15764 1 576 . 1 1 139 139 HIS CB C 13 28.88 0.0 . 1 . . . . 139 HIS CB . 15764 1 577 . 1 1 139 139 HIS N N 15 118.9 0.0 . 1 . . . . 139 HIS N . 15764 1 578 . 1 1 140 140 ALA H H 1 8.026 0.0 . 1 . . . . 140 ALA H . 15764 1 579 . 1 1 140 140 ALA C C 13 178.2 0.0 . 1 . . . . 140 ALA C . 15764 1 580 . 1 1 140 140 ALA CA C 13 53.11 0.0 . 1 . . . . 140 ALA CA . 15764 1 581 . 1 1 140 140 ALA CB C 13 18.93 0.0 . 1 . . . . 140 ALA CB . 15764 1 582 . 1 1 140 140 ALA N N 15 123.5 0.0 . 1 . . . . 140 ALA N . 15764 1 583 . 1 1 141 141 GLY H H 1 8.209 0.0 . 1 . . . . 141 GLY H . 15764 1 584 . 1 1 141 141 GLY C C 13 174.1 0.0 . 1 . . . . 141 GLY C . 15764 1 585 . 1 1 141 141 GLY CA C 13 45.53 0.0 . 1 . . . . 141 GLY CA . 15764 1 586 . 1 1 141 141 GLY N N 15 107.5 0.0 . 1 . . . . 141 GLY N . 15764 1 587 . 1 1 142 142 ILE H H 1 7.667 0.0 . 1 . . . . 142 ILE H . 15764 1 588 . 1 1 142 142 ILE C C 13 175.9 0.0 . 1 . . . . 142 ILE C . 15764 1 589 . 1 1 142 142 ILE CA C 13 61.27 0.0 . 1 . . . . 142 ILE CA . 15764 1 590 . 1 1 142 142 ILE CB C 13 38.26 0.0 . 1 . . . . 142 ILE CB . 15764 1 591 . 1 1 142 142 ILE N N 15 119.0 0.0 . 1 . . . . 142 ILE N . 15764 1 592 . 1 1 143 143 PHE H H 1 8.159 0.0 . 1 . . . . 143 PHE H . 15764 1 593 . 1 1 143 143 PHE C C 13 175.4 0.0 . 1 . . . . 143 PHE C . 15764 1 594 . 1 1 143 143 PHE CA C 13 57.41 0.0 . 1 . . . . 143 PHE CA . 15764 1 595 . 1 1 143 143 PHE CB C 13 39.62 0.0 . 1 . . . . 143 PHE CB . 15764 1 596 . 1 1 143 143 PHE N N 15 123.3 0.0 . 1 . . . . 143 PHE N . 15764 1 597 . 1 1 144 144 THR H H 1 7.816 0.0 . 1 . . . . 144 THR H . 15764 1 598 . 1 1 144 144 THR C C 13 173.4 0.0 . 1 . . . . 144 THR C . 15764 1 599 . 1 1 144 144 THR CA C 13 61.37 0.0 . 1 . . . . 144 THR CA . 15764 1 600 . 1 1 144 144 THR CB C 13 69.92 0.0 . 1 . . . . 144 THR CB . 15764 1 601 . 1 1 144 144 THR N N 15 115.9 0.0 . 1 . . . . 144 THR N . 15764 1 602 . 1 1 145 145 PHE H H 1 8.157 0.0 . 1 . . . . 145 PHE H . 15764 1 603 . 1 1 145 145 PHE C C 13 175.2 0.0 . 1 . . . . 145 PHE C . 15764 1 604 . 1 1 145 145 PHE CA C 13 57.57 0.0 . 1 . . . . 145 PHE CA . 15764 1 605 . 1 1 145 145 PHE CB C 13 39.75 0.0 . 1 . . . . 145 PHE CB . 15764 1 606 . 1 1 145 145 PHE N N 15 122.7 0.0 . 1 . . . . 145 PHE N . 15764 1 607 . 1 1 146 146 GLU H H 1 8.228 0.0 . 1 . . . . 146 GLU H . 15764 1 608 . 1 1 146 146 GLU C C 13 175.0 0.0 . 1 . . . . 146 GLU C . 15764 1 609 . 1 1 146 146 GLU CA C 13 56.28 0.0 . 1 . . . . 146 GLU CA . 15764 1 610 . 1 1 146 146 GLU N N 15 123.3 0.0 . 1 . . . . 146 GLU N . 15764 1 stop_ save_