data_7009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7009 _Entry.Title ; First Ca2+ binding domain of the Na,Ca-exchanger (NCX1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-28 _Entry.Accession_date 2006-02-28 _Entry.Last_release_date 2006-04-11 _Entry.Original_release_date 2006-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 M. Hilge . . . 7009 2 J. Aelen . . . 7009 3 G. Vuister . W. . 7009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 7009 '15N chemical shifts' 134 7009 '1H chemical shifts' 878 7009 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 . . 2006-04-11 2006-02-28 original author . 7009 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7008 'Ca-exchanger (NCX1)' 7009 PDB 2FWS 'BMRB Entry Tracking System' 7009 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7009 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16600866 _Citation.Full_citation . _Citation.Title ; Ca(2+) regulation in the na(+)/ca(2+) exchanger involves two markedly different ca(2+) sensors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 1 _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 15 _Citation.Page_last 25 _Citation.Year 2006 _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 M. Hilge . . . 7009 1 2 J. Aelen . . . 7009 1 3 G. Vuister . W. . 7009 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID beta-bulge 7009 1 beta-sandwich 7009 1 'Ca2+ binding' 7009 1 cis-proline 7009 1 'greek key' 7009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 7009 _Assembly.ID 1 _Assembly.Name 'Sodium/calcium exchanger 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7009 1 stop_ 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 'Sodium/calcium exchanger 1' 1 $exchanger_1 . . . native . . . . . 7009 1 2 'CALCIUM (II) ION' 2 $CA . . . native . . . . . 7009 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2FWS . . . . . . 7009 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Sodium/calcium exchanger 1' abbreviation 7009 1 'Sodium/calcium exchanger 1' system 7009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_exchanger_1 _Entity.Sf_category entity _Entity.Sf_framecode exchanger_1 _Entity.Entry_ID 7009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Sodium/calcium exchanger 1' _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 . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 BMRB 15764 . CBD1 . . . . . 100.00 147 100.00 100.00 8.36e-101 . . . . 7009 1 2 no PDB 2DPK . "The Crystal Structure Of The Primary Ca2+ Sensor Of The Na+CA2+ EXCHANGER" . . . . . 101.36 152 97.99 97.99 2.07e-97 . . . . 7009 1 3 no PDB 2FWS . "First Ca2+ Binding Domain Of The Na,Ca-Exchanger (Ncx1)" . . . . . 94.56 139 100.00 100.00 1.15e-93 . . . . 7009 1 4 no DBJ BAF84385 . "unnamed protein product [Homo sapiens]" . . . . . 94.56 937 98.56 99.28 1.54e-85 . . . . 7009 1 5 no EMBL CAH91585 . "hypothetical protein [Pongo abelii]" . . . . . 94.56 937 99.28 99.28 3.66e-86 . . . . 7009 1 6 no GB AAA97928 . "renal Na/Ca exchanger NACA-2 [Oryctolagus cuniculus]" . . . . . 94.56 941 97.12 97.84 1.77e-84 . . . . 7009 1 7 no GB AAB40148 . "Na/Ca exchanger [Felis catus]" . . . . . 94.56 600 98.56 99.28 2.23e-88 . . . . 7009 1 8 no GB AAD04173 . "sodium-calcium exchanger isoform NCX1.3 [Macaca mulatta]" . . . . . 94.56 934 99.28 99.28 2.93e-86 . . . . 7009 1 9 no GB AAD04174 . "sodium-calcium exchanger circular exon 2 transcript [Macaca mulatta]" . . . . . 94.56 602 99.28 99.28 8.84e-89 . . . . 7009 1 10 no GB AAD17213 . "sodium/calcium exchanger 1 splice variant NaCa10 [Homo sapiens]" . . . . . 58.50 215 97.67 98.84 6.75e-49 . . . . 7009 1 11 no REF NP_001028033 . "sodium/calcium exchanger 1 precursor [Macaca mulatta]" . . . . . 94.56 934 99.28 99.28 2.93e-86 . . . . 7009 1 12 no REF NP_001106272 . "sodium/calcium exchanger 1 isoform C precursor [Homo sapiens]" . . . . . 94.56 960 98.56 99.28 1.77e-85 . . . . 7009 1 13 no REF NP_001106273 . "sodium/calcium exchanger 1 isoform D precursor [Homo sapiens]" . . . . . 94.56 937 98.56 99.28 1.54e-85 . . . . 7009 1 14 no REF NP_001125933 . "sodium/calcium exchanger 1 precursor [Pongo abelii]" . . . . . 94.56 937 99.28 99.28 3.66e-86 . . . . 7009 1 15 no REF NP_001164429 . "sodium/calcium exchanger 1 precursor [Oryctolagus cuniculus]" . . . . . 94.56 941 97.12 97.84 1.77e-84 . . . . 7009 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Sodium/calcium exchanger 1' abbreviation 7009 1 'Sodium/calcium exchanger 1' common 7009 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 -8 MET . 7009 1 2 -7 SER . 7009 1 3 -6 HIS . 7009 1 4 -5 HIS . 7009 1 5 -4 HIS . 7009 1 6 -3 HIS . 7009 1 7 -2 HIS . 7009 1 8 -1 HIS . 7009 1 9 371 VAL . 7009 1 10 372 SER . 7009 1 11 373 LYS . 7009 1 12 374 ILE . 7009 1 13 375 PHE . 7009 1 14 376 PHE . 7009 1 15 377 GLU . 7009 1 16 378 GLN . 7009 1 17 379 GLY . 7009 1 18 380 THR . 7009 1 19 381 TYR . 7009 1 20 382 GLN . 7009 1 21 383 CYS . 7009 1 22 384 LEU . 7009 1 23 385 GLU . 7009 1 24 386 ASN . 7009 1 25 387 CYS . 7009 1 26 388 GLY . 7009 1 27 389 THR . 7009 1 28 390 VAL . 7009 1 29 391 ALA . 7009 1 30 392 LEU . 7009 1 31 393 THR . 7009 1 32 394 ILE . 7009 1 33 395 ILE . 7009 1 34 396 ARG . 7009 1 35 397 ARG . 7009 1 36 398 GLY . 7009 1 37 399 GLY . 7009 1 38 400 ASP . 7009 1 39 401 LEU . 7009 1 40 402 THR . 7009 1 41 403 ASN . 7009 1 42 404 THR . 7009 1 43 405 VAL . 7009 1 44 406 PHE . 7009 1 45 407 VAL . 7009 1 46 408 ASP . 7009 1 47 409 PHE . 7009 1 48 410 ARG . 7009 1 49 411 THR . 7009 1 50 412 GLU . 7009 1 51 413 ASP . 7009 1 52 414 GLY . 7009 1 53 415 THR . 7009 1 54 416 ALA . 7009 1 55 417 ASN . 7009 1 56 418 ALA . 7009 1 57 419 GLY . 7009 1 58 420 SER . 7009 1 59 421 ASP . 7009 1 60 422 TYR . 7009 1 61 423 GLU . 7009 1 62 424 PHE . 7009 1 63 425 THR . 7009 1 64 426 GLU . 7009 1 65 427 GLY . 7009 1 66 428 THR . 7009 1 67 429 VAL . 7009 1 68 430 VAL . 7009 1 69 431 PHE . 7009 1 70 432 LYS . 7009 1 71 433 PRO . 7009 1 72 434 GLY . 7009 1 73 435 GLU . 7009 1 74 436 THR . 7009 1 75 437 GLN . 7009 1 76 438 LYS . 7009 1 77 439 GLU . 7009 1 78 440 ILE . 7009 1 79 441 ARG . 7009 1 80 442 VAL . 7009 1 81 443 GLY . 7009 1 82 444 ILE . 7009 1 83 445 ILE . 7009 1 84 446 ASP . 7009 1 85 447 ASP . 7009 1 86 448 ASP . 7009 1 87 449 ILE . 7009 1 88 450 PHE . 7009 1 89 451 GLU . 7009 1 90 452 GLU . 7009 1 91 453 ASP . 7009 1 92 454 GLU . 7009 1 93 455 ASN . 7009 1 94 456 PHE . 7009 1 95 457 LEU . 7009 1 96 458 VAL . 7009 1 97 459 HIS . 7009 1 98 460 LEU . 7009 1 99 461 SER . 7009 1 100 462 ASN . 7009 1 101 463 VAL . 7009 1 102 464 LYS . 7009 1 103 465 VAL . 7009 1 104 466 SER . 7009 1 105 467 SER . 7009 1 106 468 GLU . 7009 1 107 469 ALA . 7009 1 108 470 SER . 7009 1 109 471 GLU . 7009 1 110 472 ASP . 7009 1 111 473 GLY . 7009 1 112 474 ILE . 7009 1 113 475 LEU . 7009 1 114 476 GLU . 7009 1 115 477 ALA . 7009 1 116 478 ASN . 7009 1 117 479 HIS . 7009 1 118 480 VAL . 7009 1 119 481 SER . 7009 1 120 482 ALA . 7009 1 121 483 LEU . 7009 1 122 484 ALA . 7009 1 123 485 CYS . 7009 1 124 486 LEU . 7009 1 125 487 GLY . 7009 1 126 488 SER . 7009 1 127 489 PRO . 7009 1 128 490 SER . 7009 1 129 491 THR . 7009 1 130 492 ALA . 7009 1 131 493 THR . 7009 1 132 494 VAL . 7009 1 133 495 THR . 7009 1 134 496 ILE . 7009 1 135 497 PHE . 7009 1 136 498 ASP . 7009 1 137 499 ASP . 7009 1 138 500 ASP . 7009 1 139 501 HIS . 7009 1 140 502 ALA . 7009 1 141 503 GLY . 7009 1 142 504 ILE . 7009 1 143 505 PHE . 7009 1 144 506 THR . 7009 1 145 507 PHE . 7009 1 146 508 GLU . 7009 1 147 509 GLU . 7009 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 7009 1 . SER 2 2 7009 1 . HIS 3 3 7009 1 . HIS 4 4 7009 1 . HIS 5 5 7009 1 . HIS 6 6 7009 1 . HIS 7 7 7009 1 . HIS 8 8 7009 1 . VAL 9 9 7009 1 . SER 10 10 7009 1 . LYS 11 11 7009 1 . ILE 12 12 7009 1 . PHE 13 13 7009 1 . PHE 14 14 7009 1 . GLU 15 15 7009 1 . GLN 16 16 7009 1 . GLY 17 17 7009 1 . THR 18 18 7009 1 . TYR 19 19 7009 1 . GLN 20 20 7009 1 . CYS 21 21 7009 1 . LEU 22 22 7009 1 . GLU 23 23 7009 1 . ASN 24 24 7009 1 . CYS 25 25 7009 1 . GLY 26 26 7009 1 . THR 27 27 7009 1 . VAL 28 28 7009 1 . ALA 29 29 7009 1 . LEU 30 30 7009 1 . THR 31 31 7009 1 . ILE 32 32 7009 1 . ILE 33 33 7009 1 . ARG 34 34 7009 1 . ARG 35 35 7009 1 . GLY 36 36 7009 1 . GLY 37 37 7009 1 . ASP 38 38 7009 1 . LEU 39 39 7009 1 . THR 40 40 7009 1 . ASN 41 41 7009 1 . THR 42 42 7009 1 . VAL 43 43 7009 1 . PHE 44 44 7009 1 . VAL 45 45 7009 1 . ASP 46 46 7009 1 . PHE 47 47 7009 1 . ARG 48 48 7009 1 . THR 49 49 7009 1 . GLU 50 50 7009 1 . ASP 51 51 7009 1 . GLY 52 52 7009 1 . THR 53 53 7009 1 . ALA 54 54 7009 1 . ASN 55 55 7009 1 . ALA 56 56 7009 1 . GLY 57 57 7009 1 . SER 58 58 7009 1 . ASP 59 59 7009 1 . TYR 60 60 7009 1 . GLU 61 61 7009 1 . PHE 62 62 7009 1 . THR 63 63 7009 1 . GLU 64 64 7009 1 . GLY 65 65 7009 1 . THR 66 66 7009 1 . VAL 67 67 7009 1 . VAL 68 68 7009 1 . PHE 69 69 7009 1 . LYS 70 70 7009 1 . PRO 71 71 7009 1 . GLY 72 72 7009 1 . GLU 73 73 7009 1 . THR 74 74 7009 1 . GLN 75 75 7009 1 . LYS 76 76 7009 1 . GLU 77 77 7009 1 . ILE 78 78 7009 1 . ARG 79 79 7009 1 . VAL 80 80 7009 1 . GLY 81 81 7009 1 . ILE 82 82 7009 1 . ILE 83 83 7009 1 . ASP 84 84 7009 1 . ASP 85 85 7009 1 . ASP 86 86 7009 1 . ILE 87 87 7009 1 . PHE 88 88 7009 1 . GLU 89 89 7009 1 . GLU 90 90 7009 1 . ASP 91 91 7009 1 . GLU 92 92 7009 1 . ASN 93 93 7009 1 . PHE 94 94 7009 1 . LEU 95 95 7009 1 . VAL 96 96 7009 1 . HIS 97 97 7009 1 . LEU 98 98 7009 1 . SER 99 99 7009 1 . ASN 100 100 7009 1 . VAL 101 101 7009 1 . LYS 102 102 7009 1 . VAL 103 103 7009 1 . SER 104 104 7009 1 . SER 105 105 7009 1 . GLU 106 106 7009 1 . ALA 107 107 7009 1 . SER 108 108 7009 1 . GLU 109 109 7009 1 . ASP 110 110 7009 1 . GLY 111 111 7009 1 . ILE 112 112 7009 1 . LEU 113 113 7009 1 . GLU 114 114 7009 1 . ALA 115 115 7009 1 . ASN 116 116 7009 1 . HIS 117 117 7009 1 . VAL 118 118 7009 1 . SER 119 119 7009 1 . ALA 120 120 7009 1 . LEU 121 121 7009 1 . ALA 122 122 7009 1 . CYS 123 123 7009 1 . LEU 124 124 7009 1 . GLY 125 125 7009 1 . SER 126 126 7009 1 . PRO 127 127 7009 1 . SER 128 128 7009 1 . THR 129 129 7009 1 . ALA 130 130 7009 1 . THR 131 131 7009 1 . VAL 132 132 7009 1 . THR 133 133 7009 1 . ILE 134 134 7009 1 . PHE 135 135 7009 1 . ASP 136 136 7009 1 . ASP 137 137 7009 1 . ASP 138 138 7009 1 . HIS 139 139 7009 1 . ALA 140 140 7009 1 . GLY 141 141 7009 1 . ILE 142 142 7009 1 . PHE 143 143 7009 1 . THR 144 144 7009 1 . PHE 145 145 7009 1 . GLU 146 146 7009 1 . GLU 147 147 7009 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7009 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . CA . 7009 2 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 7009 _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 $exchanger_1 . 9615 organism . 'Canis familiaris' dog . . Eukaryota Metazoa Canis familiaris . . . . . . . . . . . . . . . . . . . . . 7009 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 7009 _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 $exchanger_1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7009 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 7009 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 7009 CA [Ca++] SMILES CACTVS 3.341 7009 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7009 CA [Ca+2] SMILES ACDLabs 10.04 7009 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7009 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7009 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7009 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 7009 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7009 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7009 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7009 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Sodium/calcium exchanger 1' '[U-13C; U-15N]' . . 1 $exchanger_1 . . . 0.5 1.0 mM . . . . 7009 1 2 HEPES . . . . . . . 20 . . mM . . . . 7009 1 3 'beta-Mercaptoethanol buffer' . . . . . . . 20 . . mM . . . . 7009 1 4 H2O . . . . . . . 95 . . % . . . . 7009 1 5 D2O . . . . . . . 5 . . % . . . . 7009 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7009 _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' 20 . mM 7009 1 pH 7.0 . pH 7009 1 pressure 1 . atm 7009 1 temperature 306 . K 7009 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7009 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7009 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 7009 _Software.ID 2 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details 'Bartels, C.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7009 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7009 _Software.ID 3 _Software.Name CYANA _Software.Version 2.0 _Software.Details 'Guentert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7009 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7009 _Software.ID 4 _Software.Name X-PLOR _Software.Version 'NIH version 2.9.7' _Software.Details 'Clore, G.M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7009 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7009 _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 NMR_spectrometer Varian INOVA . 600 . . . 7009 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 7009 _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 13C separated aliphatic NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7009 1 2 '3D 13C separated aromatic NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7009 1 3 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 7009 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7009 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C separated aliphatic NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7009 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C separated aromatic NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7009 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7009 _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 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7009 1 H 1 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7009 1 N 15 . . . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 7009 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 7009 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 9 9 VAL HA H 1 4.060 0.000 . . . . . . 371 . . . 7009 1 2 . 1 1 9 9 VAL HB H 1 2.057 0.000 . . . . . . 371 . . . 7009 1 3 . 1 1 9 9 VAL HG11 H 1 0.916 0.000 . . . . . . 371 . . . 7009 1 4 . 1 1 9 9 VAL HG12 H 1 0.916 0.000 . . . . . . 371 . . . 7009 1 5 . 1 1 9 9 VAL HG13 H 1 0.916 0.000 . . . . . . 371 . . . 7009 1 6 . 1 1 9 9 VAL CA C 13 62.885 0.000 . . . . . . 371 . . . 7009 1 7 . 1 1 9 9 VAL CB C 13 32.514 0.000 . . . . . . 371 . . . 7009 1 8 . 1 1 9 9 VAL CG1 C 13 21.214 0.000 . . . . . . 371 . . . 7009 1 9 . 1 1 10 10 SER HA H 1 4.456 0.000 . . . . . . 372 . . . 7009 1 10 . 1 1 10 10 SER HB2 H 1 3.394 0.000 . . . . . . 372 . . . 7009 1 11 . 1 1 10 10 SER HB3 H 1 3.548 0.000 . . . . . . 372 . . . 7009 1 12 . 1 1 10 10 SER CA C 13 58.118 0.000 . . . . . . 372 . . . 7009 1 13 . 1 1 10 10 SER CB C 13 64.474 0.000 . . . . . . 372 . . . 7009 1 14 . 1 1 11 11 LYS H H 1 8.668 0.000 . . . . . . 373 . . . 7009 1 15 . 1 1 11 11 LYS HA H 1 5.285 0.001 . . . . . . 373 . . . 7009 1 16 . 1 1 11 11 LYS HB2 H 1 1.518 0.000 . . . . . . 373 . . . 7009 1 17 . 1 1 11 11 LYS HB3 H 1 1.915 0.001 . . . . . . 373 . . . 7009 1 18 . 1 1 11 11 LYS HG2 H 1 1.270 0.000 . . . . . . 373 . . . 7009 1 19 . 1 1 11 11 LYS HG3 H 1 1.473 0.000 . . . . . . 373 . . . 7009 1 20 . 1 1 11 11 LYS HD2 H 1 1.455 0.000 . . . . . . 373 . . . 7009 1 21 . 1 1 11 11 LYS HD3 H 1 1.555 0.000 . . . . . . 373 . . . 7009 1 22 . 1 1 11 11 LYS HE2 H 1 2.750 0.000 . . . . . . 373 . . . 7009 1 23 . 1 1 11 11 LYS HE3 H 1 2.823 0.000 . . . . . . 373 . . . 7009 1 24 . 1 1 11 11 LYS CA C 13 54.410 0.000 . . . . . . 373 . . . 7009 1 25 . 1 1 11 11 LYS CB C 13 35.163 0.000 . . . . . . 373 . . . 7009 1 26 . 1 1 11 11 LYS CG C 13 25.668 0.000 . . . . . . 373 . . . 7009 1 27 . 1 1 11 11 LYS CD C 13 29.225 0.000 . . . . . . 373 . . . 7009 1 28 . 1 1 11 11 LYS CE C 13 42.424 0.000 . . . . . . 373 . . . 7009 1 29 . 1 1 11 11 LYS N N 15 123.433 0.000 . . . . . . 373 . . . 7009 1 30 . 1 1 12 12 ILE H H 1 7.943 0.000 . . . . . . 374 . . . 7009 1 31 . 1 1 12 12 ILE HA H 1 5.212 0.000 . . . . . . 374 . . . 7009 1 32 . 1 1 12 12 ILE HB H 1 1.620 0.000 . . . . . . 374 . . . 7009 1 33 . 1 1 12 12 ILE HG12 H 1 0.887 0.000 . . . . . . 374 . . . 7009 1 34 . 1 1 12 12 ILE HG13 H 1 1.086 0.000 . . . . . . 374 . . . 7009 1 35 . 1 1 12 12 ILE HG21 H 1 0.566 0.000 . . . . . . 374 . . . 7009 1 36 . 1 1 12 12 ILE HG22 H 1 0.566 0.000 . . . . . . 374 . . . 7009 1 37 . 1 1 12 12 ILE HG23 H 1 0.566 0.000 . . . . . . 374 . . . 7009 1 38 . 1 1 12 12 ILE HD11 H 1 0.239 0.000 . . . . . . 374 . . . 7009 1 39 . 1 1 12 12 ILE HD12 H 1 0.239 0.000 . . . . . . 374 . . . 7009 1 40 . 1 1 12 12 ILE HD13 H 1 0.239 0.000 . . . . . . 374 . . . 7009 1 41 . 1 1 12 12 ILE CA C 13 57.765 0.000 . . . . . . 374 . . . 7009 1 42 . 1 1 12 12 ILE CB C 13 38.766 0.000 . . . . . . 374 . . . 7009 1 43 . 1 1 12 12 ILE CG1 C 13 27.955 0.000 . . . . . . 374 . . . 7009 1 44 . 1 1 12 12 ILE CG2 C 13 18.741 0.000 . . . . . . 374 . . . 7009 1 45 . 1 1 12 12 ILE CD1 C 13 12.208 0.000 . . . . . . 374 . . . 7009 1 46 . 1 1 12 12 ILE N N 15 121.268 0.000 . . . . . . 374 . . . 7009 1 47 . 1 1 13 13 PHE H H 1 8.082 0.000 . . . . . . 375 . . . 7009 1 48 . 1 1 13 13 PHE HA H 1 4.499 0.001 . . . . . . 375 . . . 7009 1 49 . 1 1 13 13 PHE HB2 H 1 2.704 0.000 . . . . . . 375 . . . 7009 1 50 . 1 1 13 13 PHE HB3 H 1 2.740 0.000 . . . . . . 375 . . . 7009 1 51 . 1 1 13 13 PHE HD1 H 1 6.864 0.000 . . . . . . 375 . . . 7009 1 52 . 1 1 13 13 PHE HD2 H 1 6.864 0.000 . . . . . . 375 . . . 7009 1 53 . 1 1 13 13 PHE HE1 H 1 7.085 0.000 . . . . . . 375 . . . 7009 1 54 . 1 1 13 13 PHE HE2 H 1 7.085 0.000 . . . . . . 375 . . . 7009 1 55 . 1 1 13 13 PHE HZ H 1 6.983 0.000 . . . . . . 375 . . . 7009 1 56 . 1 1 13 13 PHE CA C 13 55.646 0.000 . . . . . . 375 . . . 7009 1 57 . 1 1 13 13 PHE CB C 13 38.871 0.000 . . . . . . 375 . . . 7009 1 58 . 1 1 13 13 PHE CD1 C 13 133.286 0.000 . . . . . . 375 . . . 7009 1 59 . 1 1 13 13 PHE CE1 C 13 130.256 0.000 . . . . . . 375 . . . 7009 1 60 . 1 1 13 13 PHE CZ C 13 128.858 0.000 . . . . . . 375 . . . 7009 1 61 . 1 1 13 13 PHE N N 15 121.698 0.000 . . . . . . 375 . . . 7009 1 62 . 1 1 14 14 PHE H H 1 8.544 0.000 . . . . . . 376 . . . 7009 1 63 . 1 1 14 14 PHE HA H 1 4.972 0.000 . . . . . . 376 . . . 7009 1 64 . 1 1 14 14 PHE HB2 H 1 2.675 0.000 . . . . . . 376 . . . 7009 1 65 . 1 1 14 14 PHE HB3 H 1 3.664 0.000 . . . . . . 376 . . . 7009 1 66 . 1 1 14 14 PHE HD1 H 1 7.043 0.000 . . . . . . 376 . . . 7009 1 67 . 1 1 14 14 PHE HD2 H 1 7.043 0.000 . . . . . . 376 . . . 7009 1 68 . 1 1 14 14 PHE CA C 13 59.730 0.000 . . . . . . 376 . . . 7009 1 69 . 1 1 14 14 PHE CB C 13 41.550 0.000 . . . . . . 376 . . . 7009 1 70 . 1 1 14 14 PHE N N 15 117.021 0.000 . . . . . . 376 . . . 7009 1 71 . 1 1 15 15 GLU H H 1 8.830 0.000 . . . . . . 377 . . . 7009 1 72 . 1 1 15 15 GLU HA H 1 3.826 0.000 . . . . . . 377 . . . 7009 1 73 . 1 1 15 15 GLU HB2 H 1 1.810 0.000 . . . . . . 377 . . . 7009 1 74 . 1 1 15 15 GLU HB3 H 1 2.184 0.000 . . . . . . 377 . . . 7009 1 75 . 1 1 15 15 GLU HG2 H 1 2.273 0.000 . . . . . . 377 . . . 7009 1 76 . 1 1 15 15 GLU HG3 H 1 2.404 0.000 . . . . . . 377 . . . 7009 1 77 . 1 1 15 15 GLU CA C 13 59.433 0.000 . . . . . . 377 . . . 7009 1 78 . 1 1 15 15 GLU CB C 13 30.925 0.000 . . . . . . 377 . . . 7009 1 79 . 1 1 15 15 GLU CG C 13 36.915 0.000 . . . . . . 377 . . . 7009 1 80 . 1 1 15 15 GLU N N 15 119.867 0.000 . . . . . . 377 . . . 7009 1 81 . 1 1 16 16 GLN H H 1 7.393 0.000 . . . . . . 378 . . . 7009 1 82 . 1 1 16 16 GLN HA H 1 4.596 0.000 . . . . . . 378 . . . 7009 1 83 . 1 1 16 16 GLN HB2 H 1 1.321 0.000 . . . . . . 378 . . . 7009 1 84 . 1 1 16 16 GLN HB3 H 1 1.969 0.000 . . . . . . 378 . . . 7009 1 85 . 1 1 16 16 GLN HG2 H 1 1.943 0.000 . . . . . . 378 . . . 7009 1 86 . 1 1 16 16 GLN HG3 H 1 2.126 0.000 . . . . . . 378 . . . 7009 1 87 . 1 1 16 16 GLN HE21 H 1 6.710 0.000 . . . . . . 378 . . . 7009 1 88 . 1 1 16 16 GLN HE22 H 1 7.086 0.000 . . . . . . 378 . . . 7009 1 89 . 1 1 16 16 GLN CA C 13 53.270 0.000 . . . . . . 378 . . . 7009 1 90 . 1 1 16 16 GLN CB C 13 31.631 0.000 . . . . . . 378 . . . 7009 1 91 . 1 1 16 16 GLN CG C 13 32.867 0.000 . . . . . . 378 . . . 7009 1 92 . 1 1 16 16 GLN N N 15 109.742 0.000 . . . . . . 378 . . . 7009 1 93 . 1 1 16 16 GLN NE2 N 15 112.445 0.000 . . . . . . 378 . . . 7009 1 94 . 1 1 17 17 GLY H H 1 8.408 0.000 . . . . . . 379 . . . 7009 1 95 . 1 1 17 17 GLY HA2 H 1 3.847 0.000 . . . . . . 379 . . . 7009 1 96 . 1 1 17 17 GLY HA3 H 1 4.075 0.000 . . . . . . 379 . . . 7009 1 97 . 1 1 17 17 GLY CA C 13 45.228 0.000 . . . . . . 379 . . . 7009 1 98 . 1 1 17 17 GLY N N 15 102.613 0.000 . . . . . . 379 . . . 7009 1 99 . 1 1 18 18 THR H H 1 7.131 0.000 . . . . . . 380 . . . 7009 1 100 . 1 1 18 18 THR HA H 1 5.217 0.000 . . . . . . 380 . . . 7009 1 101 . 1 1 18 18 THR HB H 1 3.958 0.000 . . . . . . 380 . . . 7009 1 102 . 1 1 18 18 THR HG21 H 1 1.040 0.000 . . . . . . 380 . . . 7009 1 103 . 1 1 18 18 THR HG22 H 1 1.040 0.000 . . . . . . 380 . . . 7009 1 104 . 1 1 18 18 THR HG23 H 1 1.040 0.000 . . . . . . 380 . . . 7009 1 105 . 1 1 18 18 THR CA C 13 59.438 0.000 . . . . . . 380 . . . 7009 1 106 . 1 1 18 18 THR CB C 13 71.537 0.000 . . . . . . 380 . . . 7009 1 107 . 1 1 18 18 THR CG2 C 13 21.743 0.000 . . . . . . 380 . . . 7009 1 108 . 1 1 18 18 THR N N 15 110.875 0.000 . . . . . . 380 . . . 7009 1 109 . 1 1 19 19 TYR H H 1 8.587 0.000 . . . . . . 381 . . . 7009 1 110 . 1 1 19 19 TYR HA H 1 4.537 0.000 . . . . . . 381 . . . 7009 1 111 . 1 1 19 19 TYR HB2 H 1 2.253 0.000 . . . . . . 381 . . . 7009 1 112 . 1 1 19 19 TYR HB3 H 1 2.698 0.000 . . . . . . 381 . . . 7009 1 113 . 1 1 19 19 TYR HD1 H 1 6.757 0.000 . . . . . . 381 . . . 7009 1 114 . 1 1 19 19 TYR HD2 H 1 6.757 0.000 . . . . . . 381 . . . 7009 1 115 . 1 1 19 19 TYR HE1 H 1 6.807 0.000 . . . . . . 381 . . . 7009 1 116 . 1 1 19 19 TYR HE2 H 1 6.807 0.000 . . . . . . 381 . . . 7009 1 117 . 1 1 19 19 TYR CA C 13 57.408 0.000 . . . . . . 381 . . . 7009 1 118 . 1 1 19 19 TYR CB C 13 43.285 0.000 . . . . . . 381 . . . 7009 1 119 . 1 1 19 19 TYR CD1 C 13 132.820 0.000 . . . . . . 381 . . . 7009 1 120 . 1 1 19 19 TYR CE1 C 13 119.302 0.000 . . . . . . 381 . . . 7009 1 121 . 1 1 19 19 TYR N N 15 121.216 0.000 . . . . . . 381 . . . 7009 1 122 . 1 1 20 20 GLN H H 1 8.618 0.000 . . . . . . 382 . . . 7009 1 123 . 1 1 20 20 GLN HA H 1 5.408 0.000 . . . . . . 382 . . . 7009 1 124 . 1 1 20 20 GLN HB2 H 1 1.924 0.000 . . . . . . 382 . . . 7009 1 125 . 1 1 20 20 GLN HB3 H 1 1.978 0.000 . . . . . . 382 . . . 7009 1 126 . 1 1 20 20 GLN HG2 H 1 2.244 0.000 . . . . . . 382 . . . 7009 1 127 . 1 1 20 20 GLN HG3 H 1 2.244 0.000 . . . . . . 382 . . . 7009 1 128 . 1 1 20 20 GLN CA C 13 54.228 0.000 . . . . . . 382 . . . 7009 1 129 . 1 1 20 20 GLN CB C 13 31.861 0.000 . . . . . . 382 . . . 7009 1 130 . 1 1 20 20 GLN CG C 13 33.800 0.000 . . . . . . 382 . . . 7009 1 131 . 1 1 20 20 GLN N N 15 118.132 0.000 . . . . . . 382 . . . 7009 1 132 . 1 1 21 21 CYS H H 1 8.742 0.000 . . . . . . 383 . . . 7009 1 133 . 1 1 21 21 CYS HA H 1 5.036 0.000 . . . . . . 383 . . . 7009 1 134 . 1 1 21 21 CYS HB2 H 1 2.954 0.000 . . . . . . 383 . . . 7009 1 135 . 1 1 21 21 CYS HB3 H 1 3.379 0.000 . . . . . . 383 . . . 7009 1 136 . 1 1 21 21 CYS CA C 13 55.469 0.000 . . . . . . 383 . . . 7009 1 137 . 1 1 21 21 CYS CB C 13 32.919 0.000 . . . . . . 383 . . . 7009 1 138 . 1 1 21 21 CYS N N 15 116.011 0.000 . . . . . . 383 . . . 7009 1 139 . 1 1 22 22 LEU H H 1 8.492 0.000 . . . . . . 384 . . . 7009 1 140 . 1 1 22 22 LEU HA H 1 5.116 0.000 . . . . . . 384 . . . 7009 1 141 . 1 1 22 22 LEU HB2 H 1 1.678 0.000 . . . . . . 384 . . . 7009 1 142 . 1 1 22 22 LEU HB3 H 1 1.678 0.000 . . . . . . 384 . . . 7009 1 143 . 1 1 22 22 LEU HG H 1 1.757 0.001 . . . . . . 384 . . . 7009 1 144 . 1 1 22 22 LEU HD11 H 1 0.987 0.000 . . . . . . 384 . . . 7009 1 145 . 1 1 22 22 LEU HD12 H 1 0.987 0.000 . . . . . . 384 . . . 7009 1 146 . 1 1 22 22 LEU HD13 H 1 0.987 0.000 . . . . . . 384 . . . 7009 1 147 . 1 1 22 22 LEU HD21 H 1 0.982 0.000 . . . . . . 384 . . . 7009 1 148 . 1 1 22 22 LEU HD22 H 1 0.982 0.000 . . . . . . 384 . . . 7009 1 149 . 1 1 22 22 LEU HD23 H 1 0.982 0.000 . . . . . . 384 . . . 7009 1 150 . 1 1 22 22 LEU CA C 13 53.880 0.000 . . . . . . 384 . . . 7009 1 151 . 1 1 22 22 LEU CB C 13 44.875 0.000 . . . . . . 384 . . . 7009 1 152 . 1 1 22 22 LEU CG C 13 28.277 0.000 . . . . . . 384 . . . 7009 1 153 . 1 1 22 22 LEU CD1 C 13 24.905 0.000 . . . . . . 384 . . . 7009 1 154 . 1 1 22 22 LEU CD2 C 13 24.215 0.000 . . . . . . 384 . . . 7009 1 155 . 1 1 22 22 LEU N N 15 121.505 0.000 . . . . . . 384 . . . 7009 1 156 . 1 1 23 23 GLU H H 1 8.089 0.000 . . . . . . 385 . . . 7009 1 157 . 1 1 23 23 GLU HA H 1 3.578 0.000 . . . . . . 385 . . . 7009 1 158 . 1 1 23 23 GLU HB2 H 1 2.006 0.000 . . . . . . 385 . . . 7009 1 159 . 1 1 23 23 GLU HB3 H 1 2.239 0.000 . . . . . . 385 . . . 7009 1 160 . 1 1 23 23 GLU HG2 H 1 2.667 0.000 . . . . . . 385 . . . 7009 1 161 . 1 1 23 23 GLU HG3 H 1 3.064 0.000 . . . . . . 385 . . . 7009 1 162 . 1 1 23 23 GLU CA C 13 59.001 0.000 . . . . . . 385 . . . 7009 1 163 . 1 1 23 23 GLU CB C 13 30.395 0.000 . . . . . . 385 . . . 7009 1 164 . 1 1 23 23 GLU CG C 13 37.861 0.000 . . . . . . 385 . . . 7009 1 165 . 1 1 23 23 GLU N N 15 119.288 0.000 . . . . . . 385 . . . 7009 1 166 . 1 1 24 24 ASN H H 1 7.159 0.000 . . . . . . 386 . . . 7009 1 167 . 1 1 24 24 ASN HA H 1 4.353 0.000 . . . . . . 386 . . . 7009 1 168 . 1 1 24 24 ASN HB2 H 1 2.784 0.000 . . . . . . 386 . . . 7009 1 169 . 1 1 24 24 ASN HB3 H 1 3.148 0.000 . . . . . . 386 . . . 7009 1 170 . 1 1 24 24 ASN HD21 H 1 6.594 0.000 . . . . . . 386 . . . 7009 1 171 . 1 1 24 24 ASN HD22 H 1 7.510 0.000 . . . . . . 386 . . . 7009 1 172 . 1 1 24 24 ASN CA C 13 52.467 0.000 . . . . . . 386 . . . 7009 1 173 . 1 1 24 24 ASN CB C 13 37.859 0.000 . . . . . . 386 . . . 7009 1 174 . 1 1 24 24 ASN N N 15 110.806 0.000 . . . . . . 386 . . . 7009 1 175 . 1 1 24 24 ASN ND2 N 15 110.709 0.000 . . . . . . 386 . . . 7009 1 176 . 1 1 25 25 CYS H H 1 7.511 0.000 . . . . . . 387 . . . 7009 1 177 . 1 1 25 25 CYS HA H 1 4.324 0.000 . . . . . . 387 . . . 7009 1 178 . 1 1 25 25 CYS HB2 H 1 3.195 0.000 . . . . . . 387 . . . 7009 1 179 . 1 1 25 25 CYS HB3 H 1 3.239 0.000 . . . . . . 387 . . . 7009 1 180 . 1 1 25 25 CYS CA C 13 59.688 0.000 . . . . . . 387 . . . 7009 1 181 . 1 1 25 25 CYS CB C 13 30.042 0.000 . . . . . . 387 . . . 7009 1 182 . 1 1 25 25 CYS N N 15 115.094 0.000 . . . . . . 387 . . . 7009 1 183 . 1 1 26 26 GLY H H 1 9.261 0.000 . . . . . . 388 . . . 7009 1 184 . 1 1 26 26 GLY HA2 H 1 3.414 0.000 . . . . . . 388 . . . 7009 1 185 . 1 1 26 26 GLY HA3 H 1 4.610 0.000 . . . . . . 388 . . . 7009 1 186 . 1 1 26 26 GLY CA C 13 46.817 0.000 . . . . . . 388 . . . 7009 1 187 . 1 1 26 26 GLY N N 15 117.168 0.000 . . . . . . 388 . . . 7009 1 188 . 1 1 27 27 THR H H 1 7.818 0.000 . . . . . . 389 . . . 7009 1 189 . 1 1 27 27 THR HA H 1 5.085 0.000 . . . . . . 389 . . . 7009 1 190 . 1 1 27 27 THR HB H 1 3.693 0.000 . . . . . . 389 . . . 7009 1 191 . 1 1 27 27 THR HG21 H 1 1.071 0.000 . . . . . . 389 . . . 7009 1 192 . 1 1 27 27 THR HG22 H 1 1.071 0.000 . . . . . . 389 . . . 7009 1 193 . 1 1 27 27 THR HG23 H 1 1.071 0.000 . . . . . . 389 . . . 7009 1 194 . 1 1 27 27 THR CA C 13 59.700 0.000 . . . . . . 389 . . . 7009 1 195 . 1 1 27 27 THR CB C 13 73.479 0.000 . . . . . . 389 . . . 7009 1 196 . 1 1 27 27 THR CG2 C 13 21.872 0.000 . . . . . . 389 . . . 7009 1 197 . 1 1 27 27 THR N N 15 113.794 0.000 . . . . . . 389 . . . 7009 1 198 . 1 1 28 28 VAL H H 1 8.661 0.000 . . . . . . 390 . . . 7009 1 199 . 1 1 28 28 VAL HA H 1 4.536 0.000 . . . . . . 390 . . . 7009 1 200 . 1 1 28 28 VAL HB H 1 1.935 0.000 . . . . . . 390 . . . 7009 1 201 . 1 1 28 28 VAL HG11 H 1 0.850 0.000 . . . . . . 390 . . . 7009 1 202 . 1 1 28 28 VAL HG12 H 1 0.850 0.000 . . . . . . 390 . . . 7009 1 203 . 1 1 28 28 VAL HG13 H 1 0.850 0.000 . . . . . . 390 . . . 7009 1 204 . 1 1 28 28 VAL HG21 H 1 0.756 0.000 . . . . . . 390 . . . 7009 1 205 . 1 1 28 28 VAL HG22 H 1 0.756 0.000 . . . . . . 390 . . . 7009 1 206 . 1 1 28 28 VAL HG23 H 1 0.756 0.000 . . . . . . 390 . . . 7009 1 207 . 1 1 28 28 VAL CA C 13 58.824 0.000 . . . . . . 390 . . . 7009 1 208 . 1 1 28 28 VAL CB C 13 34.805 0.000 . . . . . . 390 . . . 7009 1 209 . 1 1 28 28 VAL CG1 C 13 19.448 0.000 . . . . . . 390 . . . 7009 1 210 . 1 1 28 28 VAL CG2 C 13 21.607 0.000 . . . . . . 390 . . . 7009 1 211 . 1 1 28 28 VAL N N 15 121.375 0.000 . . . . . . 390 . . . 7009 1 212 . 1 1 29 29 ALA H H 1 7.972 0.000 . . . . . . 391 . . . 7009 1 213 . 1 1 29 29 ALA HA H 1 5.181 0.000 . . . . . . 391 . . . 7009 1 214 . 1 1 29 29 ALA HB1 H 1 1.078 0.000 . . . . . . 391 . . . 7009 1 215 . 1 1 29 29 ALA HB2 H 1 1.078 0.000 . . . . . . 391 . . . 7009 1 216 . 1 1 29 29 ALA HB3 H 1 1.078 0.000 . . . . . . 391 . . . 7009 1 217 . 1 1 29 29 ALA CA C 13 50.045 0.000 . . . . . . 391 . . . 7009 1 218 . 1 1 29 29 ALA CB C 13 20.594 0.000 . . . . . . 391 . . . 7009 1 219 . 1 1 29 29 ALA N N 15 129.066 0.000 . . . . . . 391 . . . 7009 1 220 . 1 1 30 30 LEU H H 1 8.654 0.000 . . . . . . 392 . . . 7009 1 221 . 1 1 30 30 LEU HA H 1 3.928 0.000 . . . . . . 392 . . . 7009 1 222 . 1 1 30 30 LEU HB2 H 1 0.973 0.000 . . . . . . 392 . . . 7009 1 223 . 1 1 30 30 LEU HB3 H 1 1.109 0.000 . . . . . . 392 . . . 7009 1 224 . 1 1 30 30 LEU HG H 1 0.257 0.000 . . . . . . 392 . . . 7009 1 225 . 1 1 30 30 LEU HD11 H 1 0.283 0.000 . . . . . . 392 . . . 7009 1 226 . 1 1 30 30 LEU HD12 H 1 0.283 0.000 . . . . . . 392 . . . 7009 1 227 . 1 1 30 30 LEU HD13 H 1 0.283 0.000 . . . . . . 392 . . . 7009 1 228 . 1 1 30 30 LEU HD21 H 1 -0.131 0.000 . . . . . . 392 . . . 7009 1 229 . 1 1 30 30 LEU HD22 H 1 -0.131 0.000 . . . . . . 392 . . . 7009 1 230 . 1 1 30 30 LEU HD23 H 1 -0.131 0.000 . . . . . . 392 . . . 7009 1 231 . 1 1 30 30 LEU CA C 13 55.469 0.000 . . . . . . 392 . . . 7009 1 232 . 1 1 30 30 LEU CB C 13 43.815 0.000 . . . . . . 392 . . . 7009 1 233 . 1 1 30 30 LEU CG C 13 28.465 0.000 . . . . . . 392 . . . 7009 1 234 . 1 1 30 30 LEU CD1 C 13 24.918 0.000 . . . . . . 392 . . . 7009 1 235 . 1 1 30 30 LEU CD2 C 13 28.443 0.000 . . . . . . 392 . . . 7009 1 236 . 1 1 30 30 LEU N N 15 121.987 0.000 . . . . . . 392 . . . 7009 1 237 . 1 1 31 31 THR H H 1 7.423 0.000 . . . . . . 393 . . . 7009 1 238 . 1 1 31 31 THR HA H 1 4.990 0.000 . . . . . . 393 . . . 7009 1 239 . 1 1 31 31 THR HB H 1 4.074 0.000 . . . . . . 393 . . . 7009 1 240 . 1 1 31 31 THR HG21 H 1 1.071 0.000 . . . . . . 393 . . . 7009 1 241 . 1 1 31 31 THR HG22 H 1 1.071 0.000 . . . . . . 393 . . . 7009 1 242 . 1 1 31 31 THR HG23 H 1 1.071 0.000 . . . . . . 393 . . . 7009 1 243 . 1 1 31 31 THR CA C 13 62.532 0.000 . . . . . . 393 . . . 7009 1 244 . 1 1 31 31 THR CB C 13 70.548 0.000 . . . . . . 393 . . . 7009 1 245 . 1 1 31 31 THR CG2 C 13 22.115 0.000 . . . . . . 393 . . . 7009 1 246 . 1 1 31 31 THR N N 15 115.818 0.000 . . . . . . 393 . . . 7009 1 247 . 1 1 32 32 ILE H H 1 9.254 0.000 . . . . . . 394 . . . 7009 1 248 . 1 1 32 32 ILE HA H 1 4.207 0.000 . . . . . . 394 . . . 7009 1 249 . 1 1 32 32 ILE HB H 1 1.378 0.000 . . . . . . 394 . . . 7009 1 250 . 1 1 32 32 ILE HG12 H 1 0.389 0.000 . . . . . . 394 . . . 7009 1 251 . 1 1 32 32 ILE HG13 H 1 1.316 0.000 . . . . . . 394 . . . 7009 1 252 . 1 1 32 32 ILE HG21 H 1 0.536 0.000 . . . . . . 394 . . . 7009 1 253 . 1 1 32 32 ILE HG22 H 1 0.536 0.000 . . . . . . 394 . . . 7009 1 254 . 1 1 32 32 ILE HG23 H 1 0.536 0.000 . . . . . . 394 . . . 7009 1 255 . 1 1 32 32 ILE HD11 H 1 0.398 0.000 . . . . . . 394 . . . 7009 1 256 . 1 1 32 32 ILE HD12 H 1 0.398 0.000 . . . . . . 394 . . . 7009 1 257 . 1 1 32 32 ILE HD13 H 1 0.398 0.000 . . . . . . 394 . . . 7009 1 258 . 1 1 32 32 ILE CA C 13 60.448 0.000 . . . . . . 394 . . . 7009 1 259 . 1 1 32 32 ILE CB C 13 40.141 0.000 . . . . . . 394 . . . 7009 1 260 . 1 1 32 32 ILE CG1 C 13 27.570 0.000 . . . . . . 394 . . . 7009 1 261 . 1 1 32 32 ILE CG2 C 13 19.448 0.000 . . . . . . 394 . . . 7009 1 262 . 1 1 32 32 ILE CD1 C 13 15.265 0.000 . . . . . . 394 . . . 7009 1 263 . 1 1 32 32 ILE N N 15 128.156 0.000 . . . . . . 394 . . . 7009 1 264 . 1 1 33 33 ILE H H 1 9.000 0.000 . . . . . . 395 . . . 7009 1 265 . 1 1 33 33 ILE HA H 1 4.844 0.000 . . . . . . 395 . . . 7009 1 266 . 1 1 33 33 ILE HB H 1 0.799 0.000 . . . . . . 395 . . . 7009 1 267 . 1 1 33 33 ILE HG12 H 1 0.997 0.000 . . . . . . 395 . . . 7009 1 268 . 1 1 33 33 ILE HG13 H 1 1.034 0.000 . . . . . . 395 . . . 7009 1 269 . 1 1 33 33 ILE HG21 H 1 0.609 0.000 . . . . . . 395 . . . 7009 1 270 . 1 1 33 33 ILE HG22 H 1 0.609 0.000 . . . . . . 395 . . . 7009 1 271 . 1 1 33 33 ILE HG23 H 1 0.609 0.000 . . . . . . 395 . . . 7009 1 272 . 1 1 33 33 ILE HD11 H 1 0.711 0.000 . . . . . . 395 . . . 7009 1 273 . 1 1 33 33 ILE HD12 H 1 0.711 0.000 . . . . . . 395 . . . 7009 1 274 . 1 1 33 33 ILE HD13 H 1 0.711 0.000 . . . . . . 395 . . . 7009 1 275 . 1 1 33 33 ILE CA C 13 57.411 0.000 . . . . . . 395 . . . 7009 1 276 . 1 1 33 33 ILE CB C 13 39.048 0.000 . . . . . . 395 . . . 7009 1 277 . 1 1 33 33 ILE CG1 C 13 26.511 0.000 . . . . . . 395 . . . 7009 1 278 . 1 1 33 33 ILE CG2 C 13 18.918 0.000 . . . . . . 395 . . . 7009 1 279 . 1 1 33 33 ILE CD1 C 13 11.502 0.000 . . . . . . 395 . . . 7009 1 280 . 1 1 33 33 ILE N N 15 126.807 0.000 . . . . . . 395 . . . 7009 1 281 . 1 1 34 34 ARG H H 1 7.804 0.000 . . . . . . 396 . . . 7009 1 282 . 1 1 34 34 ARG HA H 1 4.734 0.000 . . . . . . 396 . . . 7009 1 283 . 1 1 34 34 ARG HB2 H 1 -0.094 0.004 . . . . . . 396 . . . 7009 1 284 . 1 1 34 34 ARG HB3 H 1 1.072 0.000 . . . . . . 396 . . . 7009 1 285 . 1 1 34 34 ARG HG2 H 1 0.889 0.000 . . . . . . 396 . . . 7009 1 286 . 1 1 34 34 ARG HG3 H 1 1.029 0.000 . . . . . . 396 . . . 7009 1 287 . 1 1 34 34 ARG HD2 H 1 2.280 0.000 . . . . . . 396 . . . 7009 1 288 . 1 1 34 34 ARG HD3 H 1 3.005 0.000 . . . . . . 396 . . . 7009 1 289 . 1 1 34 34 ARG CA C 13 53.851 0.000 . . . . . . 396 . . . 7009 1 290 . 1 1 34 34 ARG CB C 13 32.779 0.000 . . . . . . 396 . . . 7009 1 291 . 1 1 34 34 ARG CG C 13 26.180 0.000 . . . . . . 396 . . . 7009 1 292 . 1 1 34 34 ARG CD C 13 43.815 0.000 . . . . . . 396 . . . 7009 1 293 . 1 1 34 34 ARG N N 15 122.566 0.000 . . . . . . 396 . . . 7009 1 294 . 1 1 35 35 ARG H H 1 8.866 0.000 . . . . . . 397 . . . 7009 1 295 . 1 1 35 35 ARG HA H 1 4.649 0.000 . . . . . . 397 . . . 7009 1 296 . 1 1 35 35 ARG HB2 H 1 1.746 0.000 . . . . . . 397 . . . 7009 1 297 . 1 1 35 35 ARG HB3 H 1 1.894 0.001 . . . . . . 397 . . . 7009 1 298 . 1 1 35 35 ARG HG2 H 1 1.666 0.000 . . . . . . 397 . . . 7009 1 299 . 1 1 35 35 ARG HG3 H 1 1.732 0.000 . . . . . . 397 . . . 7009 1 300 . 1 1 35 35 ARG HD2 H 1 3.276 0.000 . . . . . . 397 . . . 7009 1 301 . 1 1 35 35 ARG HD3 H 1 3.379 0.000 . . . . . . 397 . . . 7009 1 302 . 1 1 35 35 ARG CB C 13 34.818 0.000 . . . . . . 397 . . . 7009 1 303 . 1 1 35 35 ARG CG C 13 27.041 0.000 . . . . . . 397 . . . 7009 1 304 . 1 1 35 35 ARG CD C 13 43.698 0.000 . . . . . . 397 . . . 7009 1 305 . 1 1 35 35 ARG N N 15 125.939 0.000 . . . . . . 397 . . . 7009 1 306 . 1 1 36 36 GLY H H 1 8.808 0.000 . . . . . . 398 . . . 7009 1 307 . 1 1 36 36 GLY HA2 H 1 3.768 0.000 . . . . . . 398 . . . 7009 1 308 . 1 1 36 36 GLY HA3 H 1 4.447 0.001 . . . . . . 398 . . . 7009 1 309 . 1 1 36 36 GLY CA C 13 43.947 0.001 . . . . . . 398 . . . 7009 1 310 . 1 1 36 36 GLY N N 15 115.336 0.000 . . . . . . 398 . . . 7009 1 311 . 1 1 37 37 GLY H H 1 8.060 0.000 . . . . . . 399 . . . 7009 1 312 . 1 1 37 37 GLY HA2 H 1 3.334 0.000 . . . . . . 399 . . . 7009 1 313 . 1 1 37 37 GLY HA3 H 1 3.693 0.000 . . . . . . 399 . . . 7009 1 314 . 1 1 37 37 GLY CA C 13 45.404 0.000 . . . . . . 399 . . . 7009 1 315 . 1 1 37 37 GLY N N 15 105.596 0.000 . . . . . . 399 . . . 7009 1 316 . 1 1 38 38 ASP H H 1 8.661 0.000 . . . . . . 400 . . . 7009 1 317 . 1 1 38 38 ASP HA H 1 4.836 0.000 . . . . . . 400 . . . 7009 1 318 . 1 1 38 38 ASP HB2 H 1 2.997 0.000 . . . . . . 400 . . . 7009 1 319 . 1 1 38 38 ASP HB3 H 1 3.334 0.000 . . . . . . 400 . . . 7009 1 320 . 1 1 38 38 ASP CA C 13 53.880 0.000 . . . . . . 400 . . . 7009 1 321 . 1 1 38 38 ASP CB C 13 46.464 0.000 . . . . . . 400 . . . 7009 1 322 . 1 1 38 38 ASP N N 15 121.023 0.000 . . . . . . 400 . . . 7009 1 323 . 1 1 39 39 LEU H H 1 8.830 0.000 . . . . . . 401 . . . 7009 1 324 . 1 1 39 39 LEU HA H 1 4.651 0.000 . . . . . . 401 . . . 7009 1 325 . 1 1 39 39 LEU HB2 H 1 1.701 0.000 . . . . . . 401 . . . 7009 1 326 . 1 1 39 39 LEU HB3 H 1 1.862 0.000 . . . . . . 401 . . . 7009 1 327 . 1 1 39 39 LEU HD11 H 1 0.982 0.000 . . . . . . 401 . . . 7009 1 328 . 1 1 39 39 LEU HD12 H 1 0.982 0.000 . . . . . . 401 . . . 7009 1 329 . 1 1 39 39 LEU HD13 H 1 0.982 0.000 . . . . . . 401 . . . 7009 1 330 . 1 1 39 39 LEU HD21 H 1 0.748 0.000 . . . . . . 401 . . . 7009 1 331 . 1 1 39 39 LEU HD22 H 1 0.748 0.000 . . . . . . 401 . . . 7009 1 332 . 1 1 39 39 LEU HD23 H 1 0.748 0.000 . . . . . . 401 . . . 7009 1 333 . 1 1 39 39 LEU CA C 13 55.646 0.000 . . . . . . 401 . . . 7009 1 334 . 1 1 39 39 LEU CB C 13 42.579 0.000 . . . . . . 401 . . . 7009 1 335 . 1 1 39 39 LEU CD1 C 13 26.158 0.000 . . . . . . 401 . . . 7009 1 336 . 1 1 39 39 LEU CD2 C 13 24.745 0.000 . . . . . . 401 . . . 7009 1 337 . 1 1 40 40 THR H H 1 8.516 0.000 . . . . . . 402 . . . 7009 1 338 . 1 1 40 40 THR HA H 1 4.154 0.000 . . . . . . 402 . . . 7009 1 339 . 1 1 40 40 THR HB H 1 4.352 0.000 . . . . . . 402 . . . 7009 1 340 . 1 1 40 40 THR HG21 H 1 1.224 0.000 . . . . . . 402 . . . 7009 1 341 . 1 1 40 40 THR HG22 H 1 1.224 0.000 . . . . . . 402 . . . 7009 1 342 . 1 1 40 40 THR HG23 H 1 1.224 0.000 . . . . . . 402 . . . 7009 1 343 . 1 1 40 40 THR CA C 13 63.241 0.000 . . . . . . 402 . . . 7009 1 344 . 1 1 40 40 THR CB C 13 68.994 0.000 . . . . . . 402 . . . 7009 1 345 . 1 1 40 40 THR CG2 C 13 21.743 0.000 . . . . . . 402 . . . 7009 1 346 . 1 1 40 40 THR N N 15 110.613 0.000 . . . . . . 402 . . . 7009 1 347 . 1 1 41 41 ASN H H 1 6.976 0.000 . . . . . . 403 . . . 7009 1 348 . 1 1 41 41 ASN HA H 1 4.791 0.000 . . . . . . 403 . . . 7009 1 349 . 1 1 41 41 ASN HB2 H 1 2.536 0.000 . . . . . . 403 . . . 7009 1 350 . 1 1 41 41 ASN HB3 H 1 2.603 0.000 . . . . . . 403 . . . 7009 1 351 . 1 1 41 41 ASN CA C 13 52.581 0.000 . . . . . . 403 . . . 7009 1 352 . 1 1 41 41 ASN CB C 13 39.636 0.000 . . . . . . 403 . . . 7009 1 353 . 1 1 41 41 ASN N N 15 117.264 0.000 . . . . . . 403 . . . 7009 1 354 . 1 1 42 42 THR H H 1 8.368 0.000 . . . . . . 404 . . . 7009 1 355 . 1 1 42 42 THR HA H 1 4.990 0.000 . . . . . . 404 . . . 7009 1 356 . 1 1 42 42 THR HB H 1 3.972 0.000 . . . . . . 404 . . . 7009 1 357 . 1 1 42 42 THR HG21 H 1 0.754 0.001 . . . . . . 404 . . . 7009 1 358 . 1 1 42 42 THR HG22 H 1 0.754 0.001 . . . . . . 404 . . . 7009 1 359 . 1 1 42 42 THR HG23 H 1 0.754 0.001 . . . . . . 404 . . . 7009 1 360 . 1 1 42 42 THR CA C 13 62.483 0.000 . . . . . . 404 . . . 7009 1 361 . 1 1 42 42 THR CB C 13 69.616 0.000 . . . . . . 404 . . . 7009 1 362 . 1 1 42 42 THR CG2 C 13 21.567 0.000 . . . . . . 404 . . . 7009 1 363 . 1 1 42 42 THR N N 15 119.481 0.000 . . . . . . 404 . . . 7009 1 364 . 1 1 43 43 VAL H H 1 8.486 0.000 . . . . . . 405 . . . 7009 1 365 . 1 1 43 43 VAL HA H 1 4.844 0.000 . . . . . . 405 . . . 7009 1 366 . 1 1 43 43 VAL HB H 1 1.591 0.000 . . . . . . 405 . . . 7009 1 367 . 1 1 43 43 VAL HG11 H 1 0.719 0.000 . . . . . . 405 . . . 7009 1 368 . 1 1 43 43 VAL HG12 H 1 0.719 0.000 . . . . . . 405 . . . 7009 1 369 . 1 1 43 43 VAL HG13 H 1 0.719 0.000 . . . . . . 405 . . . 7009 1 370 . 1 1 43 43 VAL HG21 H 1 0.726 0.000 . . . . . . 405 . . . 7009 1 371 . 1 1 43 43 VAL HG22 H 1 0.726 0.000 . . . . . . 405 . . . 7009 1 372 . 1 1 43 43 VAL HG23 H 1 0.726 0.000 . . . . . . 405 . . . 7009 1 373 . 1 1 43 43 VAL CA C 13 60.451 0.000 . . . . . . 405 . . . 7009 1 374 . 1 1 43 43 VAL CB C 13 35.893 0.000 . . . . . . 405 . . . 7009 1 375 . 1 1 43 43 VAL CG1 C 13 21.920 0.000 . . . . . . 405 . . . 7009 1 376 . 1 1 43 43 VAL CG2 C 13 23.389 0.000 . . . . . . 405 . . . 7009 1 377 . 1 1 43 43 VAL N N 15 125.843 0.000 . . . . . . 405 . . . 7009 1 378 . 1 1 44 44 PHE H H 1 9.262 0.000 . . . . . . 406 . . . 7009 1 379 . 1 1 44 44 PHE HA H 1 5.503 0.000 . . . . . . 406 . . . 7009 1 380 . 1 1 44 44 PHE HB2 H 1 2.851 0.000 . . . . . . 406 . . . 7009 1 381 . 1 1 44 44 PHE HB3 H 1 3.106 0.000 . . . . . . 406 . . . 7009 1 382 . 1 1 44 44 PHE HD1 H 1 7.027 0.000 . . . . . . 406 . . . 7009 1 383 . 1 1 44 44 PHE HD2 H 1 7.027 0.000 . . . . . . 406 . . . 7009 1 384 . 1 1 44 44 PHE HE1 H 1 7.184 0.000 . . . . . . 406 . . . 7009 1 385 . 1 1 44 44 PHE HE2 H 1 7.184 0.000 . . . . . . 406 . . . 7009 1 386 . 1 1 44 44 PHE CA C 13 55.469 0.000 . . . . . . 406 . . . 7009 1 387 . 1 1 44 44 PHE CB C 13 41.918 0.000 . . . . . . 406 . . . 7009 1 388 . 1 1 44 44 PHE CD1 C 13 131.887 0.000 . . . . . . 406 . . . 7009 1 389 . 1 1 44 44 PHE CE1 C 13 131.421 0.000 . . . . . . 406 . . . 7009 1 390 . 1 1 44 44 PHE N N 15 126.807 0.000 . . . . . . 406 . . . 7009 1 391 . 1 1 45 45 VAL H H 1 8.917 0.000 . . . . . . 407 . . . 7009 1 392 . 1 1 45 45 VAL HA H 1 4.530 0.000 . . . . . . 407 . . . 7009 1 393 . 1 1 45 45 VAL HB H 1 1.987 0.001 . . . . . . 407 . . . 7009 1 394 . 1 1 45 45 VAL HG11 H 1 0.953 0.000 . . . . . . 407 . . . 7009 1 395 . 1 1 45 45 VAL HG12 H 1 0.953 0.000 . . . . . . 407 . . . 7009 1 396 . 1 1 45 45 VAL HG13 H 1 0.953 0.000 . . . . . . 407 . . . 7009 1 397 . 1 1 45 45 VAL HG21 H 1 1.085 0.000 . . . . . . 407 . . . 7009 1 398 . 1 1 45 45 VAL HG22 H 1 1.085 0.000 . . . . . . 407 . . . 7009 1 399 . 1 1 45 45 VAL HG23 H 1 1.085 0.000 . . . . . . 407 . . . 7009 1 400 . 1 1 45 45 VAL CA C 13 61.465 0.000 . . . . . . 407 . . . 7009 1 401 . 1 1 45 45 VAL CB C 13 35.124 0.000 . . . . . . 407 . . . 7009 1 402 . 1 1 45 45 VAL CG1 C 13 20.209 0.000 . . . . . . 407 . . . 7009 1 403 . 1 1 45 45 VAL CG2 C 13 23.380 0.000 . . . . . . 407 . . . 7009 1 404 . 1 1 45 45 VAL N N 15 118.612 0.000 . . . . . . 407 . . . 7009 1 405 . 1 1 46 46 ASP H H 1 8.631 0.000 . . . . . . 408 . . . 7009 1 406 . 1 1 46 46 ASP HA H 1 5.796 0.000 . . . . . . 408 . . . 7009 1 407 . 1 1 46 46 ASP HB2 H 1 2.632 0.000 . . . . . . 408 . . . 7009 1 408 . 1 1 46 46 ASP HB3 H 1 2.784 0.000 . . . . . . 408 . . . 7009 1 409 . 1 1 46 46 ASP CA C 13 53.596 0.000 . . . . . . 408 . . . 7009 1 410 . 1 1 46 46 ASP CB C 13 41.918 0.000 . . . . . . 408 . . . 7009 1 411 . 1 1 46 46 ASP N N 15 127.867 0.000 . . . . . . 408 . . . 7009 1 412 . 1 1 47 47 PHE H H 1 8.566 0.000 . . . . . . 409 . . . 7009 1 413 . 1 1 47 47 PHE HA H 1 6.199 0.000 . . . . . . 409 . . . 7009 1 414 . 1 1 47 47 PHE HB2 H 1 2.668 0.000 . . . . . . 409 . . . 7009 1 415 . 1 1 47 47 PHE HB3 H 1 2.723 0.000 . . . . . . 409 . . . 7009 1 416 . 1 1 47 47 PHE HD1 H 1 6.699 0.000 . . . . . . 409 . . . 7009 1 417 . 1 1 47 47 PHE HD2 H 1 6.699 0.000 . . . . . . 409 . . . 7009 1 418 . 1 1 47 47 PHE HE1 H 1 6.947 0.000 . . . . . . 409 . . . 7009 1 419 . 1 1 47 47 PHE HE2 H 1 6.947 0.000 . . . . . . 409 . . . 7009 1 420 . 1 1 47 47 PHE HZ H 1 7.122 0.000 . . . . . . 409 . . . 7009 1 421 . 1 1 47 47 PHE CA C 13 55.116 0.000 . . . . . . 409 . . . 7009 1 422 . 1 1 47 47 PHE CB C 13 43.815 0.000 . . . . . . 409 . . . 7009 1 423 . 1 1 47 47 PHE CD1 C 13 131.654 0.000 . . . . . . 409 . . . 7009 1 424 . 1 1 47 47 PHE CE1 C 13 130.722 0.000 . . . . . . 409 . . . 7009 1 425 . 1 1 47 47 PHE CZ C 13 129.557 0.000 . . . . . . 409 . . . 7009 1 426 . 1 1 47 47 PHE N N 15 114.349 0.000 . . . . . . 409 . . . 7009 1 427 . 1 1 48 48 ARG H H 1 8.305 0.000 . . . . . . 410 . . . 7009 1 428 . 1 1 48 48 ARG HA H 1 5.161 0.000 . . . . . . 410 . . . 7009 1 429 . 1 1 48 48 ARG HB2 H 1 1.964 0.000 . . . . . . 410 . . . 7009 1 430 . 1 1 48 48 ARG HB3 H 1 2.015 0.000 . . . . . . 410 . . . 7009 1 431 . 1 1 48 48 ARG HG2 H 1 1.621 0.000 . . . . . . 410 . . . 7009 1 432 . 1 1 48 48 ARG HG3 H 1 2.124 0.000 . . . . . . 410 . . . 7009 1 433 . 1 1 48 48 ARG HD2 H 1 3.365 0.000 . . . . . . 410 . . . 7009 1 434 . 1 1 48 48 ARG HD3 H 1 3.365 0.000 . . . . . . 410 . . . 7009 1 435 . 1 1 48 48 ARG CA C 13 55.885 0.000 . . . . . . 410 . . . 7009 1 436 . 1 1 48 48 ARG CB C 13 33.800 0.000 . . . . . . 410 . . . 7009 1 437 . 1 1 48 48 ARG CG C 13 27.448 0.000 . . . . . . 410 . . . 7009 1 438 . 1 1 48 48 ARG CD C 13 43.815 0.000 . . . . . . 410 . . . 7009 1 439 . 1 1 48 48 ARG N N 15 117.168 0.000 . . . . . . 410 . . . 7009 1 440 . 1 1 49 49 THR H H 1 7.870 0.000 . . . . . . 411 . . . 7009 1 441 . 1 1 49 49 THR HA H 1 5.474 0.000 . . . . . . 411 . . . 7009 1 442 . 1 1 49 49 THR HB H 1 4.542 0.000 . . . . . . 411 . . . 7009 1 443 . 1 1 49 49 THR HG21 H 1 1.409 0.000 . . . . . . 411 . . . 7009 1 444 . 1 1 49 49 THR HG22 H 1 1.409 0.000 . . . . . . 411 . . . 7009 1 445 . 1 1 49 49 THR HG23 H 1 1.409 0.000 . . . . . . 411 . . . 7009 1 446 . 1 1 49 49 THR CA C 13 60.590 0.000 . . . . . . 411 . . . 7009 1 447 . 1 1 49 49 THR CB C 13 72.102 0.000 . . . . . . 411 . . . 7009 1 448 . 1 1 49 49 THR CG2 C 13 22.379 0.000 . . . . . . 411 . . . 7009 1 449 . 1 1 49 49 THR N N 15 113.119 0.000 . . . . . . 411 . . . 7009 1 450 . 1 1 50 50 GLU H H 1 9.124 0.000 . . . . . . 412 . . . 7009 1 451 . 1 1 50 50 GLU HA H 1 4.728 0.000 . . . . . . 412 . . . 7009 1 452 . 1 1 50 50 GLU HB2 H 1 2.008 0.000 . . . . . . 412 . . . 7009 1 453 . 1 1 50 50 GLU HB3 H 1 2.163 0.000 . . . . . . 412 . . . 7009 1 454 . 1 1 50 50 GLU HG2 H 1 2.573 0.000 . . . . . . 412 . . . 7009 1 455 . 1 1 50 50 GLU HG3 H 1 2.851 0.000 . . . . . . 412 . . . 7009 1 456 . 1 1 50 50 GLU CA C 13 56.136 0.000 . . . . . . 412 . . . 7009 1 457 . 1 1 50 50 GLU CB C 13 34.457 0.000 . . . . . . 412 . . . 7009 1 458 . 1 1 50 50 GLU CG C 13 36.399 0.000 . . . . . . 412 . . . 7009 1 459 . 1 1 50 50 GLU N N 15 121.409 0.000 . . . . . . 412 . . . 7009 1 460 . 1 1 51 51 ASP H H 1 8.970 0.000 . . . . . . 413 . . . 7009 1 461 . 1 1 51 51 ASP HA H 1 4.771 0.000 . . . . . . 413 . . . 7009 1 462 . 1 1 51 51 ASP HB2 H 1 2.917 0.000 . . . . . . 413 . . . 7009 1 463 . 1 1 51 51 ASP HB3 H 1 3.093 0.000 . . . . . . 413 . . . 7009 1 464 . 1 1 51 51 ASP CA C 13 56.882 0.000 . . . . . . 413 . . . 7009 1 465 . 1 1 51 51 ASP CB C 13 41.167 0.000 . . . . . . 413 . . . 7009 1 466 . 1 1 51 51 ASP N N 15 124.686 0.000 . . . . . . 413 . . . 7009 1 467 . 1 1 52 52 GLY H H 1 7.387 0.000 . . . . . . 414 . . . 7009 1 468 . 1 1 52 52 GLY HA2 H 1 3.804 0.000 . . . . . . 414 . . . 7009 1 469 . 1 1 52 52 GLY HA3 H 1 4.507 0.000 . . . . . . 414 . . . 7009 1 470 . 1 1 52 52 GLY CA C 13 46.479 0.012 . . . . . . 414 . . . 7009 1 471 . 1 1 52 52 GLY N N 15 110.324 0.000 . . . . . . 414 . . . 7009 1 472 . 1 1 53 53 THR H H 1 8.229 0.000 . . . . . . 415 . . . 7009 1 473 . 1 1 53 53 THR HA H 1 4.367 0.000 . . . . . . 415 . . . 7009 1 474 . 1 1 53 53 THR HB H 1 4.499 0.000 . . . . . . 415 . . . 7009 1 475 . 1 1 53 53 THR HG21 H 1 1.356 0.000 . . . . . . 415 . . . 7009 1 476 . 1 1 53 53 THR HG22 H 1 1.356 0.000 . . . . . . 415 . . . 7009 1 477 . 1 1 53 53 THR HG23 H 1 1.356 0.000 . . . . . . 415 . . . 7009 1 478 . 1 1 53 53 THR CA C 13 62.532 0.000 . . . . . . 415 . . . 7009 1 479 . 1 1 53 53 THR CB C 13 69.772 0.000 . . . . . . 415 . . . 7009 1 480 . 1 1 53 53 THR CG2 C 13 23.509 0.000 . . . . . . 415 . . . 7009 1 481 . 1 1 53 53 THR N N 15 118.517 0.000 . . . . . . 415 . . . 7009 1 482 . 1 1 54 54 ALA H H 1 9.203 0.000 . . . . . . 416 . . . 7009 1 483 . 1 1 54 54 ALA HA H 1 4.792 0.000 . . . . . . 416 . . . 7009 1 484 . 1 1 54 54 ALA HB1 H 1 1.341 0.000 . . . . . . 416 . . . 7009 1 485 . 1 1 54 54 ALA HB2 H 1 1.341 0.000 . . . . . . 416 . . . 7009 1 486 . 1 1 54 54 ALA HB3 H 1 1.341 0.000 . . . . . . 416 . . . 7009 1 487 . 1 1 54 54 ALA CA C 13 50.557 0.000 . . . . . . 416 . . . 7009 1 488 . 1 1 54 54 ALA CB C 13 20.088 0.000 . . . . . . 416 . . . 7009 1 489 . 1 1 54 54 ALA N N 15 124.108 0.000 . . . . . . 416 . . . 7009 1 490 . 1 1 55 55 ASN H H 1 9.943 0.000 . . . . . . 417 . . . 7009 1 491 . 1 1 55 55 ASN HA H 1 5.255 0.000 . . . . . . 417 . . . 7009 1 492 . 1 1 55 55 ASN HB2 H 1 2.463 0.000 . . . . . . 417 . . . 7009 1 493 . 1 1 55 55 ASN HB3 H 1 2.806 0.000 . . . . . . 417 . . . 7009 1 494 . 1 1 55 55 ASN HD21 H 1 6.909 0.000 . . . . . . 417 . . . 7009 1 495 . 1 1 55 55 ASN HD22 H 1 7.368 0.000 . . . . . . 417 . . . 7009 1 496 . 1 1 55 55 ASN CA C 13 52.644 0.000 . . . . . . 417 . . . 7009 1 497 . 1 1 55 55 ASN CB C 13 43.285 0.000 . . . . . . 417 . . . 7009 1 498 . 1 1 55 55 ASN N N 15 117.396 0.000 . . . . . . 417 . . . 7009 1 499 . 1 1 55 55 ASN ND2 N 15 109.553 0.000 . . . . . . 417 . . . 7009 1 500 . 1 1 56 56 ALA H H 1 10.061 0.000 . . . . . . 418 . . . 7009 1 501 . 1 1 56 56 ALA HA H 1 2.997 0.000 . . . . . . 418 . . . 7009 1 502 . 1 1 56 56 ALA HB1 H 1 1.238 0.000 . . . . . . 418 . . . 7009 1 503 . 1 1 56 56 ALA HB2 H 1 1.238 0.000 . . . . . . 418 . . . 7009 1 504 . 1 1 56 56 ALA HB3 H 1 1.238 0.000 . . . . . . 418 . . . 7009 1 505 . 1 1 56 56 ALA CA C 13 52.197 0.000 . . . . . . 418 . . . 7009 1 506 . 1 1 56 56 ALA CB C 13 17.682 0.000 . . . . . . 418 . . . 7009 1 507 . 1 1 56 56 ALA N N 15 134.169 0.000 . . . . . . 418 . . . 7009 1 508 . 1 1 57 57 GLY H H 1 8.727 0.000 . . . . . . 419 . . . 7009 1 509 . 1 1 57 57 GLY HA2 H 1 3.488 0.000 . . . . . . 419 . . . 7009 1 510 . 1 1 57 57 GLY HA3 H 1 4.346 0.000 . . . . . . 419 . . . 7009 1 511 . 1 1 57 57 GLY CA C 13 45.441 0.034 . . . . . . 419 . . . 7009 1 512 . 1 1 57 57 GLY N N 15 112.059 0.000 . . . . . . 419 . . . 7009 1 513 . 1 1 58 58 SER H H 1 7.276 0.000 . . . . . . 420 . . . 7009 1 514 . 1 1 58 58 SER HA H 1 4.587 0.000 . . . . . . 420 . . . 7009 1 515 . 1 1 58 58 SER HB2 H 1 3.724 0.000 . . . . . . 420 . . . 7009 1 516 . 1 1 58 58 SER HB3 H 1 3.724 0.000 . . . . . . 420 . . . 7009 1 517 . 1 1 58 58 SER CA C 13 59.189 0.000 . . . . . . 420 . . . 7009 1 518 . 1 1 58 58 SER CB C 13 64.651 0.000 . . . . . . 420 . . . 7009 1 519 . 1 1 58 58 SER N N 15 111.963 0.000 . . . . . . 420 . . . 7009 1 520 . 1 1 59 59 ASP H H 1 8.961 0.000 . . . . . . 421 . . . 7009 1 521 . 1 1 59 59 ASP HA H 1 5.496 0.000 . . . . . . 421 . . . 7009 1 522 . 1 1 59 59 ASP HB2 H 1 2.719 0.000 . . . . . . 421 . . . 7009 1 523 . 1 1 59 59 ASP HB3 H 1 2.748 0.000 . . . . . . 421 . . . 7009 1 524 . 1 1 59 59 ASP CA C 13 54.700 0.000 . . . . . . 421 . . . 7009 1 525 . 1 1 59 59 ASP CB C 13 44.521 0.000 . . . . . . 421 . . . 7009 1 526 . 1 1 59 59 ASP N N 15 116.878 0.000 . . . . . . 421 . . . 7009 1 527 . 1 1 60 60 TYR H H 1 7.320 0.000 . . . . . . 422 . . . 7009 1 528 . 1 1 60 60 TYR HA H 1 4.873 0.000 . . . . . . 422 . . . 7009 1 529 . 1 1 60 60 TYR HB2 H 1 2.267 0.000 . . . . . . 422 . . . 7009 1 530 . 1 1 60 60 TYR HB3 H 1 2.646 0.000 . . . . . . 422 . . . 7009 1 531 . 1 1 60 60 TYR HE1 H 1 6.435 0.000 . . . . . . 422 . . . 7009 1 532 . 1 1 60 60 TYR HE2 H 1 6.435 0.000 . . . . . . 422 . . . 7009 1 533 . 1 1 60 60 TYR CA C 13 55.883 0.000 . . . . . . 422 . . . 7009 1 534 . 1 1 60 60 TYR CB C 13 39.754 0.000 . . . . . . 422 . . . 7009 1 535 . 1 1 60 60 TYR CE1 C 13 118.137 0.000 . . . . . . 422 . . . 7009 1 536 . 1 1 60 60 TYR N N 15 117.071 0.000 . . . . . . 422 . . . 7009 1 537 . 1 1 61 61 GLU H H 1 8.647 0.000 . . . . . . 423 . . . 7009 1 538 . 1 1 61 61 GLU HA H 1 4.273 0.000 . . . . . . 423 . . . 7009 1 539 . 1 1 61 61 GLU HB2 H 1 1.817 0.000 . . . . . . 423 . . . 7009 1 540 . 1 1 61 61 GLU HB3 H 1 1.928 0.000 . . . . . . 423 . . . 7009 1 541 . 1 1 61 61 GLU HG2 H 1 2.074 0.000 . . . . . . 423 . . . 7009 1 542 . 1 1 61 61 GLU HG3 H 1 2.074 0.000 . . . . . . 423 . . . 7009 1 543 . 1 1 61 61 GLU CA C 13 54.939 0.000 . . . . . . 423 . . . 7009 1 544 . 1 1 61 61 GLU CB C 13 30.748 0.000 . . . . . . 423 . . . 7009 1 545 . 1 1 61 61 GLU CG C 13 35.869 0.000 . . . . . . 423 . . . 7009 1 546 . 1 1 61 61 GLU N N 15 122.777 0.000 . . . . . . 423 . . . 7009 1 547 . 1 1 62 62 PHE H H 1 8.939 0.000 . . . . . . 424 . . . 7009 1 548 . 1 1 62 62 PHE HA H 1 4.207 0.000 . . . . . . 424 . . . 7009 1 549 . 1 1 62 62 PHE HB2 H 1 2.821 0.000 . . . . . . 424 . . . 7009 1 550 . 1 1 62 62 PHE HB3 H 1 2.954 0.000 . . . . . . 424 . . . 7009 1 551 . 1 1 62 62 PHE HD1 H 1 7.225 0.000 . . . . . . 424 . . . 7009 1 552 . 1 1 62 62 PHE HD2 H 1 7.225 0.000 . . . . . . 424 . . . 7009 1 553 . 1 1 62 62 PHE HE1 H 1 7.335 0.000 . . . . . . 424 . . . 7009 1 554 . 1 1 62 62 PHE HE2 H 1 7.335 0.000 . . . . . . 424 . . . 7009 1 555 . 1 1 62 62 PHE CA C 13 60.060 0.000 . . . . . . 424 . . . 7009 1 556 . 1 1 62 62 PHE CB C 13 38.694 0.000 . . . . . . 424 . . . 7009 1 557 . 1 1 62 62 PHE CD1 C 13 131.887 0.000 . . . . . . 424 . . . 7009 1 558 . 1 1 62 62 PHE CE1 C 13 131.654 0.000 . . . . . . 424 . . . 7009 1 559 . 1 1 62 62 PHE N N 15 128.253 0.000 . . . . . . 424 . . . 7009 1 560 . 1 1 63 63 THR H H 1 7.620 0.000 . . . . . . 425 . . . 7009 1 561 . 1 1 63 63 THR HA H 1 4.416 0.000 . . . . . . 425 . . . 7009 1 562 . 1 1 63 63 THR HB H 1 3.928 0.000 . . . . . . 425 . . . 7009 1 563 . 1 1 63 63 THR HG21 H 1 1.385 0.000 . . . . . . 425 . . . 7009 1 564 . 1 1 63 63 THR HG22 H 1 1.385 0.000 . . . . . . 425 . . . 7009 1 565 . 1 1 63 63 THR HG23 H 1 1.385 0.000 . . . . . . 425 . . . 7009 1 566 . 1 1 63 63 THR CA C 13 62.237 0.000 . . . . . . 425 . . . 7009 1 567 . 1 1 63 63 THR CB C 13 71.361 0.000 . . . . . . 425 . . . 7009 1 568 . 1 1 63 63 THR CG2 C 13 20.860 0.000 . . . . . . 425 . . . 7009 1 569 . 1 1 63 63 THR N N 15 124.879 0.000 . . . . . . 425 . . . 7009 1 570 . 1 1 64 64 GLU H H 1 7.827 0.000 . . . . . . 426 . . . 7009 1 571 . 1 1 64 64 GLU HA H 1 4.558 0.000 . . . . . . 426 . . . 7009 1 572 . 1 1 64 64 GLU HB2 H 1 1.840 0.000 . . . . . . 426 . . . 7009 1 573 . 1 1 64 64 GLU HB3 H 1 2.040 0.000 . . . . . . 426 . . . 7009 1 574 . 1 1 64 64 GLU HG2 H 1 2.162 0.000 . . . . . . 426 . . . 7009 1 575 . 1 1 64 64 GLU HG3 H 1 2.046 0.000 . . . . . . 426 . . . 7009 1 576 . 1 1 64 64 GLU CA C 13 53.602 0.000 . . . . . . 426 . . . 7009 1 577 . 1 1 64 64 GLU CB C 13 32.774 0.000 . . . . . . 426 . . . 7009 1 578 . 1 1 64 64 GLU CG C 13 34.457 0.000 . . . . . . 426 . . . 7009 1 579 . 1 1 64 64 GLU N N 15 122.180 0.000 . . . . . . 426 . . . 7009 1 580 . 1 1 65 65 GLY H H 1 7.166 0.000 . . . . . . 427 . . . 7009 1 581 . 1 1 65 65 GLY HA2 H 1 3.701 0.000 . . . . . . 427 . . . 7009 1 582 . 1 1 65 65 GLY HA3 H 1 3.906 0.000 . . . . . . 427 . . . 7009 1 583 . 1 1 65 65 GLY CA C 13 45.699 0.011 . . . . . . 427 . . . 7009 1 584 . 1 1 65 65 GLY N N 15 107.900 0.000 . . . . . . 427 . . . 7009 1 585 . 1 1 66 66 THR H H 1 8.273 0.000 . . . . . . 428 . . . 7009 1 586 . 1 1 66 66 THR HA H 1 5.354 0.000 . . . . . . 428 . . . 7009 1 587 . 1 1 66 66 THR HB H 1 3.645 0.000 . . . . . . 428 . . . 7009 1 588 . 1 1 66 66 THR HG21 H 1 1.356 0.000 . . . . . . 428 . . . 7009 1 589 . 1 1 66 66 THR HG22 H 1 1.356 0.000 . . . . . . 428 . . . 7009 1 590 . 1 1 66 66 THR HG23 H 1 1.356 0.000 . . . . . . 428 . . . 7009 1 591 . 1 1 66 66 THR CA C 13 62.002 0.000 . . . . . . 428 . . . 7009 1 592 . 1 1 66 66 THR CB C 13 72.597 0.000 . . . . . . 428 . . . 7009 1 593 . 1 1 66 66 THR CG2 C 13 22.097 0.000 . . . . . . 428 . . . 7009 1 594 . 1 1 66 66 THR N N 15 117.264 0.000 . . . . . . 428 . . . 7009 1 595 . 1 1 67 67 VAL H H 1 9.907 0.000 . . . . . . 429 . . . 7009 1 596 . 1 1 67 67 VAL HA H 1 4.266 0.000 . . . . . . 429 . . . 7009 1 597 . 1 1 67 67 VAL HB H 1 1.796 0.000 . . . . . . 429 . . . 7009 1 598 . 1 1 67 67 VAL HG11 H 1 0.433 0.000 . . . . . . 429 . . . 7009 1 599 . 1 1 67 67 VAL HG12 H 1 0.433 0.000 . . . . . . 429 . . . 7009 1 600 . 1 1 67 67 VAL HG13 H 1 0.433 0.000 . . . . . . 429 . . . 7009 1 601 . 1 1 67 67 VAL HG21 H 1 0.718 0.000 . . . . . . 429 . . . 7009 1 602 . 1 1 67 67 VAL HG22 H 1 0.718 0.000 . . . . . . 429 . . . 7009 1 603 . 1 1 67 67 VAL HG23 H 1 0.718 0.000 . . . . . . 429 . . . 7009 1 604 . 1 1 67 67 VAL CA C 13 60.960 0.000 . . . . . . 429 . . . 7009 1 605 . 1 1 67 67 VAL CB C 13 33.798 0.000 . . . . . . 429 . . . 7009 1 606 . 1 1 67 67 VAL CG1 C 13 21.920 0.000 . . . . . . 429 . . . 7009 1 607 . 1 1 67 67 VAL CG2 C 13 21.743 0.000 . . . . . . 429 . . . 7009 1 608 . 1 1 67 67 VAL N N 15 128.542 0.000 . . . . . . 429 . . . 7009 1 609 . 1 1 68 68 VAL H H 1 7.972 0.000 . . . . . . 430 . . . 7009 1 610 . 1 1 68 68 VAL HA H 1 4.581 0.000 . . . . . . 430 . . . 7009 1 611 . 1 1 68 68 VAL HB H 1 1.753 0.000 . . . . . . 430 . . . 7009 1 612 . 1 1 68 68 VAL HG11 H 1 0.458 0.000 . . . . . . 430 . . . 7009 1 613 . 1 1 68 68 VAL HG12 H 1 0.458 0.000 . . . . . . 430 . . . 7009 1 614 . 1 1 68 68 VAL HG13 H 1 0.458 0.000 . . . . . . 430 . . . 7009 1 615 . 1 1 68 68 VAL HG21 H 1 0.622 0.000 . . . . . . 430 . . . 7009 1 616 . 1 1 68 68 VAL HG22 H 1 0.622 0.000 . . . . . . 430 . . . 7009 1 617 . 1 1 68 68 VAL HG23 H 1 0.622 0.000 . . . . . . 430 . . . 7009 1 618 . 1 1 68 68 VAL CA C 13 60.198 0.000 . . . . . . 430 . . . 7009 1 619 . 1 1 68 68 VAL CB C 13 33.927 0.000 . . . . . . 430 . . . 7009 1 620 . 1 1 68 68 VAL CG1 C 13 20.591 0.000 . . . . . . 430 . . . 7009 1 621 . 1 1 68 68 VAL CG2 C 13 21.360 0.000 . . . . . . 430 . . . 7009 1 622 . 1 1 68 68 VAL N N 15 123.915 0.000 . . . . . . 430 . . . 7009 1 623 . 1 1 69 69 PHE H H 1 9.599 0.000 . . . . . . 431 . . . 7009 1 624 . 1 1 69 69 PHE HA H 1 4.433 0.000 . . . . . . 431 . . . 7009 1 625 . 1 1 69 69 PHE HB2 H 1 2.704 0.000 . . . . . . 431 . . . 7009 1 626 . 1 1 69 69 PHE HB3 H 1 2.939 0.000 . . . . . . 431 . . . 7009 1 627 . 1 1 69 69 PHE HD1 H 1 6.815 0.000 . . . . . . 431 . . . 7009 1 628 . 1 1 69 69 PHE HD2 H 1 6.815 0.000 . . . . . . 431 . . . 7009 1 629 . 1 1 69 69 PHE HE1 H 1 6.683 0.000 . . . . . . 431 . . . 7009 1 630 . 1 1 69 69 PHE HE2 H 1 6.683 0.000 . . . . . . 431 . . . 7009 1 631 . 1 1 69 69 PHE HZ H 1 6.639 0.000 . . . . . . 431 . . . 7009 1 632 . 1 1 69 69 PHE CA C 13 57.058 0.000 . . . . . . 431 . . . 7009 1 633 . 1 1 69 69 PHE CB C 13 38.871 0.000 . . . . . . 431 . . . 7009 1 634 . 1 1 69 69 PHE CD1 C 13 131.188 0.000 . . . . . . 431 . . . 7009 1 635 . 1 1 69 69 PHE CE1 C 13 130.955 0.000 . . . . . . 431 . . . 7009 1 636 . 1 1 69 69 PHE CZ C 13 128.158 0.000 . . . . . . 431 . . . 7009 1 637 . 1 1 69 69 PHE N N 15 126.421 0.000 . . . . . . 431 . . . 7009 1 638 . 1 1 70 70 LYS H H 1 8.830 0.000 . . . . . . 432 . . . 7009 1 639 . 1 1 70 70 LYS HA H 1 4.339 0.000 . . . . . . 432 . . . 7009 1 640 . 1 1 70 70 LYS HB2 H 1 1.400 0.000 . . . . . . 432 . . . 7009 1 641 . 1 1 70 70 LYS HB3 H 1 1.909 0.001 . . . . . . 432 . . . 7009 1 642 . 1 1 70 70 LYS HG2 H 1 1.349 0.000 . . . . . . 432 . . . 7009 1 643 . 1 1 70 70 LYS HG3 H 1 1.539 0.000 . . . . . . 432 . . . 7009 1 644 . 1 1 70 70 LYS HD2 H 1 1.635 0.000 . . . . . . 432 . . . 7009 1 645 . 1 1 70 70 LYS HD3 H 1 1.679 0.000 . . . . . . 432 . . . 7009 1 646 . 1 1 70 70 LYS HE2 H 1 2.946 0.000 . . . . . . 432 . . . 7009 1 647 . 1 1 70 70 LYS HE3 H 1 2.946 0.000 . . . . . . 432 . . . 7009 1 648 . 1 1 70 70 LYS CA C 13 55.125 0.000 . . . . . . 432 . . . 7009 1 649 . 1 1 70 70 LYS CB C 13 29.739 0.000 . . . . . . 432 . . . 7009 1 650 . 1 1 70 70 LYS CG C 13 25.924 0.000 . . . . . . 432 . . . 7009 1 651 . 1 1 70 70 LYS CD C 13 28.974 0.000 . . . . . . 432 . . . 7009 1 652 . 1 1 70 70 LYS CE C 13 42.115 0.000 . . . . . . 432 . . . 7009 1 653 . 1 1 70 70 LYS N N 15 123.529 0.000 . . . . . . 432 . . . 7009 1 654 . 1 1 71 71 PRO HA H 1 4.367 0.000 . . . . . . 433 . . . 7009 1 655 . 1 1 71 71 PRO HB2 H 1 1.773 0.000 . . . . . . 433 . . . 7009 1 656 . 1 1 71 71 PRO HB3 H 1 2.163 0.000 . . . . . . 433 . . . 7009 1 657 . 1 1 71 71 PRO HG2 H 1 1.810 0.000 . . . . . . 433 . . . 7009 1 658 . 1 1 71 71 PRO HG3 H 1 2.065 0.000 . . . . . . 433 . . . 7009 1 659 . 1 1 71 71 PRO HD2 H 1 3.468 0.000 . . . . . . 433 . . . 7009 1 660 . 1 1 71 71 PRO HD3 H 1 3.884 0.000 . . . . . . 433 . . . 7009 1 661 . 1 1 71 71 PRO CA C 13 65.028 0.000 . . . . . . 433 . . . 7009 1 662 . 1 1 71 71 PRO CB C 13 31.808 0.000 . . . . . . 433 . . . 7009 1 663 . 1 1 71 71 PRO CG C 13 28.306 0.000 . . . . . . 433 . . . 7009 1 664 . 1 1 71 71 PRO CD C 13 49.819 0.000 . . . . . . 433 . . . 7009 1 665 . 1 1 72 72 GLY H H 1 8.947 0.000 . . . . . . 434 . . . 7009 1 666 . 1 1 72 72 GLY HA2 H 1 3.459 0.000 . . . . . . 434 . . . 7009 1 667 . 1 1 72 72 GLY HA3 H 1 4.301 0.000 . . . . . . 434 . . . 7009 1 668 . 1 1 72 72 GLY CA C 13 45.557 0.024 . . . . . . 434 . . . 7009 1 669 . 1 1 72 72 GLY N N 15 111.770 0.000 . . . . . . 434 . . . 7009 1 670 . 1 1 73 73 GLU H H 1 8.302 0.000 . . . . . . 435 . . . 7009 1 671 . 1 1 73 73 GLU HA H 1 4.478 0.000 . . . . . . 435 . . . 7009 1 672 . 1 1 73 73 GLU HB2 H 1 1.986 0.000 . . . . . . 435 . . . 7009 1 673 . 1 1 73 73 GLU HB3 H 1 2.514 0.000 . . . . . . 435 . . . 7009 1 674 . 1 1 73 73 GLU HG2 H 1 2.213 0.000 . . . . . . 435 . . . 7009 1 675 . 1 1 73 73 GLU HG3 H 1 2.213 0.000 . . . . . . 435 . . . 7009 1 676 . 1 1 73 73 GLU CA C 13 58.167 0.000 . . . . . . 435 . . . 7009 1 677 . 1 1 73 73 GLU CB C 13 31.084 0.000 . . . . . . 435 . . . 7009 1 678 . 1 1 73 73 GLU CG C 13 37.856 0.000 . . . . . . 435 . . . 7009 1 679 . 1 1 73 73 GLU N N 15 119.095 0.000 . . . . . . 435 . . . 7009 1 680 . 1 1 74 74 THR HA H 1 4.719 0.000 . . . . . . 436 . . . 7009 1 681 . 1 1 74 74 THR HB H 1 4.733 0.000 . . . . . . 436 . . . 7009 1 682 . 1 1 74 74 THR HG21 H 1 1.224 0.000 . . . . . . 436 . . . 7009 1 683 . 1 1 74 74 THR HG22 H 1 1.224 0.000 . . . . . . 436 . . . 7009 1 684 . 1 1 74 74 THR HG23 H 1 1.224 0.000 . . . . . . 436 . . . 7009 1 685 . 1 1 74 74 THR CA C 13 61.978 0.000 . . . . . . 436 . . . 7009 1 686 . 1 1 74 74 THR CB C 13 71.361 0.000 . . . . . . 436 . . . 7009 1 687 . 1 1 74 74 THR CG2 C 13 22.375 0.000 . . . . . . 436 . . . 7009 1 688 . 1 1 75 75 GLN H H 1 7.796 0.000 . . . . . . 437 . . . 7009 1 689 . 1 1 75 75 GLN HA H 1 5.686 0.000 . . . . . . 437 . . . 7009 1 690 . 1 1 75 75 GLN HB2 H 1 1.869 0.000 . . . . . . 437 . . . 7009 1 691 . 1 1 75 75 GLN HB3 H 1 2.038 0.000 . . . . . . 437 . . . 7009 1 692 . 1 1 75 75 GLN HG2 H 1 2.243 0.000 . . . . . . 437 . . . 7009 1 693 . 1 1 75 75 GLN HG3 H 1 2.243 0.000 . . . . . . 437 . . . 7009 1 694 . 1 1 75 75 GLN HE21 H 1 6.800 0.000 . . . . . . 437 . . . 7009 1 695 . 1 1 75 75 GLN HE22 H 1 7.371 0.000 . . . . . . 437 . . . 7009 1 696 . 1 1 75 75 GLN CA C 13 55.376 0.000 . . . . . . 437 . . . 7009 1 697 . 1 1 75 75 GLN CB C 13 32.275 0.000 . . . . . . 437 . . . 7009 1 698 . 1 1 75 75 GLN CG C 13 33.397 0.000 . . . . . . 437 . . . 7009 1 699 . 1 1 75 75 GLN N N 15 119.334 0.000 . . . . . . 437 . . . 7009 1 700 . 1 1 75 75 GLN NE2 N 15 111.866 0.000 . . . . . . 437 . . . 7009 1 701 . 1 1 76 76 LYS H H 1 9.057 0.000 . . . . . . 438 . . . 7009 1 702 . 1 1 76 76 LYS HA H 1 4.484 0.000 . . . . . . 438 . . . 7009 1 703 . 1 1 76 76 LYS HB2 H 1 0.884 0.000 . . . . . . 438 . . . 7009 1 704 . 1 1 76 76 LYS HB3 H 1 1.248 0.000 . . . . . . 438 . . . 7009 1 705 . 1 1 76 76 LYS HG2 H 1 0.128 0.000 . . . . . . 438 . . . 7009 1 706 . 1 1 76 76 LYS HG3 H 1 0.440 0.000 . . . . . . 438 . . . 7009 1 707 . 1 1 76 76 LYS HD2 H 1 1.399 0.000 . . . . . . 438 . . . 7009 1 708 . 1 1 76 76 LYS HD3 H 1 1.458 0.000 . . . . . . 438 . . . 7009 1 709 . 1 1 76 76 LYS HE2 H 1 2.634 0.000 . . . . . . 438 . . . 7009 1 710 . 1 1 76 76 LYS HE3 H 1 2.785 0.000 . . . . . . 438 . . . 7009 1 711 . 1 1 76 76 LYS CA C 13 53.174 0.000 . . . . . . 438 . . . 7009 1 712 . 1 1 76 76 LYS CB C 13 35.570 0.000 . . . . . . 438 . . . 7009 1 713 . 1 1 76 76 LYS CG C 13 22.979 0.000 . . . . . . 438 . . . 7009 1 714 . 1 1 76 76 LYS CD C 13 26.685 0.000 . . . . . . 438 . . . 7009 1 715 . 1 1 76 76 LYS CE C 13 41.921 0.000 . . . . . . 438 . . . 7009 1 716 . 1 1 76 76 LYS N N 15 122.662 0.000 . . . . . . 438 . . . 7009 1 717 . 1 1 77 77 GLU H H 1 8.244 0.000 . . . . . . 439 . . . 7009 1 718 . 1 1 77 77 GLU HA H 1 5.189 0.000 . . . . . . 439 . . . 7009 1 719 . 1 1 77 77 GLU HB2 H 1 1.781 0.000 . . . . . . 439 . . . 7009 1 720 . 1 1 77 77 GLU HB3 H 1 1.855 0.000 . . . . . . 439 . . . 7009 1 721 . 1 1 77 77 GLU HG2 H 1 1.935 0.000 . . . . . . 439 . . . 7009 1 722 . 1 1 77 77 GLU HG3 H 1 2.052 0.000 . . . . . . 439 . . . 7009 1 723 . 1 1 77 77 GLU CA C 13 54.869 0.000 . . . . . . 439 . . . 7009 1 724 . 1 1 77 77 GLU CB C 13 33.287 0.000 . . . . . . 439 . . . 7009 1 725 . 1 1 77 77 GLU CG C 13 37.988 0.000 . . . . . . 439 . . . 7009 1 726 . 1 1 77 77 GLU N N 15 121.891 0.000 . . . . . . 439 . . . 7009 1 727 . 1 1 78 78 ILE H H 1 8.631 0.000 . . . . . . 440 . . . 7009 1 728 . 1 1 78 78 ILE HA H 1 4.344 0.000 . . . . . . 440 . . . 7009 1 729 . 1 1 78 78 ILE HB H 1 1.070 0.000 . . . . . . 440 . . . 7009 1 730 . 1 1 78 78 ILE HG12 H 1 0.323 0.000 . . . . . . 440 . . . 7009 1 731 . 1 1 78 78 ILE HG13 H 1 0.997 0.000 . . . . . . 440 . . . 7009 1 732 . 1 1 78 78 ILE HG21 H 1 0.059 0.000 . . . . . . 440 . . . 7009 1 733 . 1 1 78 78 ILE HG22 H 1 0.059 0.000 . . . . . . 440 . . . 7009 1 734 . 1 1 78 78 ILE HG23 H 1 0.059 0.000 . . . . . . 440 . . . 7009 1 735 . 1 1 78 78 ILE HD11 H 1 0.009 0.000 . . . . . . 440 . . . 7009 1 736 . 1 1 78 78 ILE HD12 H 1 0.009 0.000 . . . . . . 440 . . . 7009 1 737 . 1 1 78 78 ILE HD13 H 1 0.009 0.000 . . . . . . 440 . . . 7009 1 738 . 1 1 78 78 ILE CA C 13 59.530 0.000 . . . . . . 440 . . . 7009 1 739 . 1 1 78 78 ILE CB C 13 41.410 0.000 . . . . . . 440 . . . 7009 1 740 . 1 1 78 78 ILE CG1 C 13 25.930 0.000 . . . . . . 440 . . . 7009 1 741 . 1 1 78 78 ILE CG2 C 13 18.565 0.000 . . . . . . 440 . . . 7009 1 742 . 1 1 78 78 ILE CD1 C 13 13.744 0.000 . . . . . . 440 . . . 7009 1 743 . 1 1 78 78 ILE N N 15 119.192 0.000 . . . . . . 440 . . . 7009 1 744 . 1 1 79 79 ARG H H 1 7.964 0.000 . . . . . . 441 . . . 7009 1 745 . 1 1 79 79 ARG HA H 1 5.334 0.000 . . . . . . 441 . . . 7009 1 746 . 1 1 79 79 ARG HB2 H 1 1.364 0.000 . . . . . . 441 . . . 7009 1 747 . 1 1 79 79 ARG HB3 H 1 1.589 0.000 . . . . . . 441 . . . 7009 1 748 . 1 1 79 79 ARG HG2 H 1 1.239 0.000 . . . . . . 441 . . . 7009 1 749 . 1 1 79 79 ARG HG3 H 1 1.495 0.000 . . . . . . 441 . . . 7009 1 750 . 1 1 79 79 ARG HD2 H 1 3.013 0.000 . . . . . . 441 . . . 7009 1 751 . 1 1 79 79 ARG HD3 H 1 3.013 0.000 . . . . . . 441 . . . 7009 1 752 . 1 1 79 79 ARG CA C 13 54.233 0.000 . . . . . . 441 . . . 7009 1 753 . 1 1 79 79 ARG CB C 13 34.048 0.000 . . . . . . 441 . . . 7009 1 754 . 1 1 79 79 ARG CG C 13 28.209 0.000 . . . . . . 441 . . . 7009 1 755 . 1 1 79 79 ARG CD C 13 43.285 0.000 . . . . . . 441 . . . 7009 1 756 . 1 1 79 79 ARG N N 15 119.674 0.000 . . . . . . 441 . . . 7009 1 757 . 1 1 80 80 VAL H H 1 8.342 0.000 . . . . . . 442 . . . 7009 1 758 . 1 1 80 80 VAL HA H 1 4.317 0.000 . . . . . . 442 . . . 7009 1 759 . 1 1 80 80 VAL HB H 1 1.708 0.000 . . . . . . 442 . . . 7009 1 760 . 1 1 80 80 VAL HG11 H 1 1.070 0.000 . . . . . . 442 . . . 7009 1 761 . 1 1 80 80 VAL HG12 H 1 1.070 0.000 . . . . . . 442 . . . 7009 1 762 . 1 1 80 80 VAL HG13 H 1 1.070 0.000 . . . . . . 442 . . . 7009 1 763 . 1 1 80 80 VAL HG21 H 1 0.645 0.000 . . . . . . 442 . . . 7009 1 764 . 1 1 80 80 VAL HG22 H 1 0.645 0.000 . . . . . . 442 . . . 7009 1 765 . 1 1 80 80 VAL HG23 H 1 0.645 0.000 . . . . . . 442 . . . 7009 1 766 . 1 1 80 80 VAL CA C 13 60.766 0.000 . . . . . . 442 . . . 7009 1 767 . 1 1 80 80 VAL CB C 13 35.163 0.000 . . . . . . 442 . . . 7009 1 768 . 1 1 80 80 VAL CG1 C 13 21.214 0.000 . . . . . . 442 . . . 7009 1 769 . 1 1 80 80 VAL CG2 C 13 20.154 0.000 . . . . . . 442 . . . 7009 1 770 . 1 1 80 80 VAL N N 15 120.868 0.000 . . . . . . 442 . . . 7009 1 771 . 1 1 81 81 GLY H H 1 9.292 0.000 . . . . . . 443 . . . 7009 1 772 . 1 1 81 81 GLY HA2 H 1 3.590 0.001 . . . . . . 443 . . . 7009 1 773 . 1 1 81 81 GLY HA3 H 1 4.229 0.000 . . . . . . 443 . . . 7009 1 774 . 1 1 81 81 GLY CA C 13 46.111 0.000 . . . . . . 443 . . . 7009 1 775 . 1 1 81 81 GLY N N 15 114.951 0.000 . . . . . . 443 . . . 7009 1 776 . 1 1 82 82 ILE H H 1 8.229 0.000 . . . . . . 444 . . . 7009 1 777 . 1 1 82 82 ILE HA H 1 4.375 0.000 . . . . . . 444 . . . 7009 1 778 . 1 1 82 82 ILE HB H 1 1.877 0.000 . . . . . . 444 . . . 7009 1 779 . 1 1 82 82 ILE HG12 H 1 1.254 0.000 . . . . . . 444 . . . 7009 1 780 . 1 1 82 82 ILE HG13 H 1 1.648 0.000 . . . . . . 444 . . . 7009 1 781 . 1 1 82 82 ILE HG21 H 1 1.019 0.000 . . . . . . 444 . . . 7009 1 782 . 1 1 82 82 ILE HG22 H 1 1.019 0.000 . . . . . . 444 . . . 7009 1 783 . 1 1 82 82 ILE HG23 H 1 1.019 0.000 . . . . . . 444 . . . 7009 1 784 . 1 1 82 82 ILE HD11 H 1 0.688 0.000 . . . . . . 444 . . . 7009 1 785 . 1 1 82 82 ILE HD12 H 1 0.688 0.000 . . . . . . 444 . . . 7009 1 786 . 1 1 82 82 ILE HD13 H 1 0.688 0.000 . . . . . . 444 . . . 7009 1 787 . 1 1 82 82 ILE CA C 13 57.765 0.000 . . . . . . 444 . . . 7009 1 788 . 1 1 82 82 ILE CB C 13 37.350 0.000 . . . . . . 444 . . . 7009 1 789 . 1 1 82 82 ILE CG1 C 13 26.511 0.000 . . . . . . 444 . . . 7009 1 790 . 1 1 82 82 ILE CG2 C 13 17.548 0.000 . . . . . . 444 . . . 7009 1 791 . 1 1 82 82 ILE CD1 C 13 9.030 0.000 . . . . . . 444 . . . 7009 1 792 . 1 1 82 82 ILE N N 15 126.710 0.000 . . . . . . 444 . . . 7009 1 793 . 1 1 83 83 ILE H H 1 7.577 0.000 . . . . . . 445 . . . 7009 1 794 . 1 1 83 83 ILE HA H 1 3.898 0.000 . . . . . . 445 . . . 7009 1 795 . 1 1 83 83 ILE HB H 1 1.202 0.000 . . . . . . 445 . . . 7009 1 796 . 1 1 83 83 ILE HG12 H 1 0.799 0.000 . . . . . . 445 . . . 7009 1 797 . 1 1 83 83 ILE HG13 H 1 0.990 0.000 . . . . . . 445 . . . 7009 1 798 . 1 1 83 83 ILE HG21 H 1 0.667 0.000 . . . . . . 445 . . . 7009 1 799 . 1 1 83 83 ILE HG22 H 1 0.667 0.000 . . . . . . 445 . . . 7009 1 800 . 1 1 83 83 ILE HG23 H 1 0.667 0.000 . . . . . . 445 . . . 7009 1 801 . 1 1 83 83 ILE HD11 H 1 0.329 0.000 . . . . . . 445 . . . 7009 1 802 . 1 1 83 83 ILE HD12 H 1 0.329 0.000 . . . . . . 445 . . . 7009 1 803 . 1 1 83 83 ILE HD13 H 1 0.329 0.000 . . . . . . 445 . . . 7009 1 804 . 1 1 83 83 ILE CA C 13 61.718 0.000 . . . . . . 445 . . . 7009 1 805 . 1 1 83 83 ILE CB C 13 38.619 0.000 . . . . . . 445 . . . 7009 1 806 . 1 1 83 83 ILE CG1 C 13 27.570 0.000 . . . . . . 445 . . . 7009 1 807 . 1 1 83 83 ILE CG2 C 13 17.152 0.000 . . . . . . 445 . . . 7009 1 808 . 1 1 83 83 ILE CD1 C 13 12.561 0.000 . . . . . . 445 . . . 7009 1 809 . 1 1 83 83 ILE N N 15 130.759 0.000 . . . . . . 445 . . . 7009 1 810 . 1 1 84 84 ASP H H 1 8.669 0.000 . . . . . . 446 . . . 7009 1 811 . 1 1 84 84 ASP HA H 1 4.968 0.000 . . . . . . 446 . . . 7009 1 812 . 1 1 84 84 ASP HB2 H 1 2.677 0.000 . . . . . . 446 . . . 7009 1 813 . 1 1 84 84 ASP HB3 H 1 2.677 0.000 . . . . . . 446 . . . 7009 1 814 . 1 1 84 84 ASP CA C 13 52.644 0.000 . . . . . . 446 . . . 7009 1 815 . 1 1 84 84 ASP CB C 13 42.115 0.000 . . . . . . 446 . . . 7009 1 816 . 1 1 84 84 ASP N N 15 126.503 0.000 . . . . . . 446 . . . 7009 1 817 . 1 1 85 85 ASP H H 1 7.511 0.000 . . . . . . 447 . . . 7009 1 818 . 1 1 85 85 ASP HA H 1 4.696 0.000 . . . . . . 447 . . . 7009 1 819 . 1 1 85 85 ASP HB2 H 1 2.654 0.000 . . . . . . 447 . . . 7009 1 820 . 1 1 85 85 ASP HB3 H 1 3.072 0.000 . . . . . . 447 . . . 7009 1 821 . 1 1 85 85 ASP CB C 13 42.931 0.000 . . . . . . 447 . . . 7009 1 822 . 1 1 85 85 ASP N N 15 122.566 0.000 . . . . . . 447 . . . 7009 1 823 . 1 1 86 86 ASP H H 1 8.441 0.000 . . . . . . 448 . . . 7009 1 824 . 1 1 86 86 ASP HA H 1 5.063 0.000 . . . . . . 448 . . . 7009 1 825 . 1 1 86 86 ASP HB2 H 1 2.689 0.000 . . . . . . 448 . . . 7009 1 826 . 1 1 86 86 ASP HB3 H 1 2.689 0.000 . . . . . . 448 . . . 7009 1 827 . 1 1 86 86 ASP CA C 13 53.174 0.000 . . . . . . 448 . . . 7009 1 828 . 1 1 86 86 ASP CB C 13 40.813 0.000 . . . . . . 448 . . . 7009 1 829 . 1 1 86 86 ASP N N 15 118.903 0.000 . . . . . . 448 . . . 7009 1 830 . 1 1 87 87 ILE H H 1 7.935 0.000 . . . . . . 449 . . . 7009 1 831 . 1 1 87 87 ILE HA H 1 4.157 0.000 . . . . . . 449 . . . 7009 1 832 . 1 1 87 87 ILE HB H 1 1.725 0.000 . . . . . . 449 . . . 7009 1 833 . 1 1 87 87 ILE HG12 H 1 1.049 0.000 . . . . . . 449 . . . 7009 1 834 . 1 1 87 87 ILE HG13 H 1 1.487 0.000 . . . . . . 449 . . . 7009 1 835 . 1 1 87 87 ILE HG21 H 1 0.924 0.000 . . . . . . 449 . . . 7009 1 836 . 1 1 87 87 ILE HG22 H 1 0.924 0.000 . . . . . . 449 . . . 7009 1 837 . 1 1 87 87 ILE HG23 H 1 0.924 0.000 . . . . . . 449 . . . 7009 1 838 . 1 1 87 87 ILE HD11 H 1 0.800 0.000 . . . . . . 449 . . . 7009 1 839 . 1 1 87 87 ILE HD12 H 1 0.800 0.000 . . . . . . 449 . . . 7009 1 840 . 1 1 87 87 ILE HD13 H 1 0.800 0.000 . . . . . . 449 . . . 7009 1 841 . 1 1 87 87 ILE CA C 13 60.199 0.000 . . . . . . 449 . . . 7009 1 842 . 1 1 87 87 ILE CB C 13 39.894 0.000 . . . . . . 449 . . . 7009 1 843 . 1 1 87 87 ILE CG1 C 13 27.446 0.000 . . . . . . 449 . . . 7009 1 844 . 1 1 87 87 ILE CG2 C 13 17.329 0.000 . . . . . . 449 . . . 7009 1 845 . 1 1 87 87 ILE CD1 C 13 12.472 0.000 . . . . . . 449 . . . 7009 1 846 . 1 1 87 87 ILE N N 15 121.987 0.000 . . . . . . 449 . . . 7009 1 847 . 1 1 88 88 PHE H H 1 8.991 0.000 . . . . . . 450 . . . 7009 1 848 . 1 1 88 88 PHE HA H 1 4.726 0.000 . . . . . . 450 . . . 7009 1 849 . 1 1 88 88 PHE HB2 H 1 2.821 0.000 . . . . . . 450 . . . 7009 1 850 . 1 1 88 88 PHE HB3 H 1 3.123 0.000 . . . . . . 450 . . . 7009 1 851 . 1 1 88 88 PHE HD1 H 1 7.159 0.000 . . . . . . 450 . . . 7009 1 852 . 1 1 88 88 PHE HD2 H 1 7.159 0.000 . . . . . . 450 . . . 7009 1 853 . 1 1 88 88 PHE HE1 H 1 7.228 0.000 . . . . . . 450 . . . 7009 1 854 . 1 1 88 88 PHE HE2 H 1 7.228 0.000 . . . . . . 450 . . . 7009 1 855 . 1 1 88 88 PHE CA C 13 59.181 0.000 . . . . . . 450 . . . 7009 1 856 . 1 1 88 88 PHE CB C 13 38.518 0.000 . . . . . . 450 . . . 7009 1 857 . 1 1 88 88 PHE CD1 C 13 131.654 0.000 . . . . . . 450 . . . 7009 1 858 . 1 1 88 88 PHE CE1 C 13 131.654 0.000 . . . . . . 450 . . . 7009 1 859 . 1 1 88 88 PHE N N 15 131.337 0.000 . . . . . . 450 . . . 7009 1 860 . 1 1 89 89 GLU H H 1 7.188 0.000 . . . . . . 451 . . . 7009 1 861 . 1 1 89 89 GLU HA H 1 4.147 0.001 . . . . . . 451 . . . 7009 1 862 . 1 1 89 89 GLU HB2 H 1 1.378 0.000 . . . . . . 451 . . . 7009 1 863 . 1 1 89 89 GLU HB3 H 1 1.378 0.000 . . . . . . 451 . . . 7009 1 864 . 1 1 89 89 GLU HG2 H 1 2.023 0.000 . . . . . . 451 . . . 7009 1 865 . 1 1 89 89 GLU HG3 H 1 2.244 0.000 . . . . . . 451 . . . 7009 1 866 . 1 1 89 89 GLU CA C 13 54.410 0.000 . . . . . . 451 . . . 7009 1 867 . 1 1 89 89 GLU CB C 13 37.096 0.000 . . . . . . 451 . . . 7009 1 868 . 1 1 89 89 GLU CG C 13 37.105 0.000 . . . . . . 451 . . . 7009 1 869 . 1 1 89 89 GLU N N 15 129.506 0.000 . . . . . . 451 . . . 7009 1 870 . 1 1 90 90 GLU H H 1 7.958 0.000 . . . . . . 452 . . . 7009 1 871 . 1 1 90 90 GLU HA H 1 4.249 0.000 . . . . . . 452 . . . 7009 1 872 . 1 1 90 90 GLU HB2 H 1 1.811 0.000 . . . . . . 452 . . . 7009 1 873 . 1 1 90 90 GLU HB3 H 1 2.206 0.000 . . . . . . 452 . . . 7009 1 874 . 1 1 90 90 GLU HG2 H 1 2.257 0.000 . . . . . . 452 . . . 7009 1 875 . 1 1 90 90 GLU HG3 H 1 2.339 0.000 . . . . . . 452 . . . 7009 1 876 . 1 1 90 90 GLU CA C 13 55.374 0.000 . . . . . . 452 . . . 7009 1 877 . 1 1 90 90 GLU CB C 13 30.572 0.000 . . . . . . 452 . . . 7009 1 878 . 1 1 90 90 GLU CG C 13 36.399 0.000 . . . . . . 452 . . . 7009 1 879 . 1 1 90 90 GLU N N 15 116.397 0.000 . . . . . . 452 . . . 7009 1 880 . 1 1 91 91 ASP H H 1 8.411 0.000 . . . . . . 453 . . . 7009 1 881 . 1 1 91 91 ASP HA H 1 4.536 0.000 . . . . . . 453 . . . 7009 1 882 . 1 1 91 91 ASP HB2 H 1 2.258 0.000 . . . . . . 453 . . . 7009 1 883 . 1 1 91 91 ASP HB3 H 1 2.477 0.000 . . . . . . 453 . . . 7009 1 884 . 1 1 91 91 ASP CA C 13 55.999 0.000 . . . . . . 453 . . . 7009 1 885 . 1 1 91 91 ASP CB C 13 39.891 0.000 . . . . . . 453 . . . 7009 1 886 . 1 1 91 91 ASP N N 15 120.638 0.000 . . . . . . 453 . . . 7009 1 887 . 1 1 92 92 GLU H H 1 7.555 0.000 . . . . . . 454 . . . 7009 1 888 . 1 1 92 92 GLU HB2 H 1 1.364 0.000 . . . . . . 454 . . . 7009 1 889 . 1 1 92 92 GLU HB3 H 1 1.653 0.000 . . . . . . 454 . . . 7009 1 890 . 1 1 92 92 GLU N N 15 121.409 0.000 . . . . . . 454 . . . 7009 1 891 . 1 1 93 93 ASN H H 1 8.243 0.000 . . . . . . 455 . . . 7009 1 892 . 1 1 93 93 ASN HA H 1 6.193 0.001 . . . . . . 455 . . . 7009 1 893 . 1 1 93 93 ASN HB2 H 1 2.478 0.000 . . . . . . 455 . . . 7009 1 894 . 1 1 93 93 ASN HB3 H 1 2.573 0.000 . . . . . . 455 . . . 7009 1 895 . 1 1 93 93 ASN HD21 H 1 6.661 0.000 . . . . . . 455 . . . 7009 1 896 . 1 1 93 93 ASN HD22 H 1 7.176 0.000 . . . . . . 455 . . . 7009 1 897 . 1 1 93 93 ASN CA C 13 50.902 0.000 . . . . . . 455 . . . 7009 1 898 . 1 1 93 93 ASN CB C 13 42.935 0.000 . . . . . . 455 . . . 7009 1 899 . 1 1 93 93 ASN N N 15 114.276 0.000 . . . . . . 455 . . . 7009 1 900 . 1 1 93 93 ASN ND2 N 15 112.734 0.000 . . . . . . 455 . . . 7009 1 901 . 1 1 94 94 PHE H H 1 8.756 0.000 . . . . . . 456 . . . 7009 1 902 . 1 1 94 94 PHE HA H 1 4.859 0.000 . . . . . . 456 . . . 7009 1 903 . 1 1 94 94 PHE HB2 H 1 2.741 0.000 . . . . . . 456 . . . 7009 1 904 . 1 1 94 94 PHE HB3 H 1 3.283 0.000 . . . . . . 456 . . . 7009 1 905 . 1 1 94 94 PHE HD1 H 1 6.441 0.000 . . . . . . 456 . . . 7009 1 906 . 1 1 94 94 PHE HD2 H 1 6.375 0.000 . . . . . . 456 . . . 7009 1 907 . 1 1 94 94 PHE HE1 H 1 6.419 0.000 . . . . . . 456 . . . 7009 1 908 . 1 1 94 94 PHE HE2 H 1 5.840 0.000 . . . . . . 456 . . . 7009 1 909 . 1 1 94 94 PHE HZ H 1 6.382 0.000 . . . . . . 456 . . . 7009 1 910 . 1 1 94 94 PHE CA C 13 56.896 0.000 . . . . . . 456 . . . 7009 1 911 . 1 1 94 94 PHE CB C 13 41.160 0.000 . . . . . . 456 . . . 7009 1 912 . 1 1 94 94 PHE CD1 C 13 131.887 0.000 . . . . . . 456 . . . 7009 1 913 . 1 1 94 94 PHE CD2 C 13 133.985 0.000 . . . . . . 456 . . . 7009 1 914 . 1 1 94 94 PHE CE1 C 13 129.557 0.000 . . . . . . 456 . . . 7009 1 915 . 1 1 94 94 PHE CE2 C 13 130.955 0.000 . . . . . . 456 . . . 7009 1 916 . 1 1 94 94 PHE CZ C 13 127.459 0.000 . . . . . . 456 . . . 7009 1 917 . 1 1 94 94 PHE N N 15 117.116 0.000 . . . . . . 456 . . . 7009 1 918 . 1 1 95 95 LEU H H 1 9.072 0.000 . . . . . . 457 . . . 7009 1 919 . 1 1 95 95 LEU HA H 1 5.261 0.000 . . . . . . 457 . . . 7009 1 920 . 1 1 95 95 LEU HB2 H 1 0.866 0.000 . . . . . . 457 . . . 7009 1 921 . 1 1 95 95 LEU HB3 H 1 1.458 0.000 . . . . . . 457 . . . 7009 1 922 . 1 1 95 95 LEU HG H 1 1.488 0.000 . . . . . . 457 . . . 7009 1 923 . 1 1 95 95 LEU HD11 H 1 0.857 0.000 . . . . . . 457 . . . 7009 1 924 . 1 1 95 95 LEU HD12 H 1 0.857 0.000 . . . . . . 457 . . . 7009 1 925 . 1 1 95 95 LEU HD13 H 1 0.857 0.000 . . . . . . 457 . . . 7009 1 926 . 1 1 95 95 LEU HD21 H 1 0.722 0.000 . . . . . . 457 . . . 7009 1 927 . 1 1 95 95 LEU HD22 H 1 0.722 0.000 . . . . . . 457 . . . 7009 1 928 . 1 1 95 95 LEU HD23 H 1 0.722 0.000 . . . . . . 457 . . . 7009 1 929 . 1 1 95 95 LEU CA C 13 53.350 0.000 . . . . . . 457 . . . 7009 1 930 . 1 1 95 95 LEU CB C 13 45.581 0.000 . . . . . . 457 . . . 7009 1 931 . 1 1 95 95 LEU CG C 13 28.212 0.000 . . . . . . 457 . . . 7009 1 932 . 1 1 95 95 LEU CD1 C 13 25.420 0.000 . . . . . . 457 . . . 7009 1 933 . 1 1 95 95 LEU CD2 C 13 24.652 0.000 . . . . . . 457 . . . 7009 1 934 . 1 1 95 95 LEU N N 15 119.327 0.000 . . . . . . 457 . . . 7009 1 935 . 1 1 96 96 VAL H H 1 8.434 0.000 . . . . . . 458 . . . 7009 1 936 . 1 1 96 96 VAL HA H 1 4.584 0.000 . . . . . . 458 . . . 7009 1 937 . 1 1 96 96 VAL HB H 1 1.557 0.001 . . . . . . 458 . . . 7009 1 938 . 1 1 96 96 VAL HG11 H 1 0.917 0.000 . . . . . . 458 . . . 7009 1 939 . 1 1 96 96 VAL HG12 H 1 0.917 0.000 . . . . . . 458 . . . 7009 1 940 . 1 1 96 96 VAL HG13 H 1 0.917 0.000 . . . . . . 458 . . . 7009 1 941 . 1 1 96 96 VAL HG21 H 1 0.645 0.000 . . . . . . 458 . . . 7009 1 942 . 1 1 96 96 VAL HG22 H 1 0.645 0.000 . . . . . . 458 . . . 7009 1 943 . 1 1 96 96 VAL HG23 H 1 0.645 0.000 . . . . . . 458 . . . 7009 1 944 . 1 1 96 96 VAL CA C 13 61.465 0.000 . . . . . . 458 . . . 7009 1 945 . 1 1 96 96 VAL CB C 13 33.365 0.000 . . . . . . 458 . . . 7009 1 946 . 1 1 96 96 VAL CG1 C 13 22.375 0.000 . . . . . . 458 . . . 7009 1 947 . 1 1 96 96 VAL CG2 C 13 21.390 0.000 . . . . . . 458 . . . 7009 1 948 . 1 1 96 96 VAL N N 15 117.535 0.000 . . . . . . 458 . . . 7009 1 949 . 1 1 97 97 HIS H H 1 9.063 0.000 . . . . . . 459 . . . 7009 1 950 . 1 1 97 97 HIS HA H 1 5.664 0.000 . . . . . . 459 . . . 7009 1 951 . 1 1 97 97 HIS HB2 H 1 3.013 0.000 . . . . . . 459 . . . 7009 1 952 . 1 1 97 97 HIS HB3 H 1 3.151 0.000 . . . . . . 459 . . . 7009 1 953 . 1 1 97 97 HIS HD2 H 1 6.836 0.000 . . . . . . 459 . . . 7009 1 954 . 1 1 97 97 HIS HE1 H 1 7.913 0.000 . . . . . . 459 . . . 7009 1 955 . 1 1 97 97 HIS CA C 13 55.377 0.000 . . . . . . 459 . . . 7009 1 956 . 1 1 97 97 HIS CB C 13 34.633 0.000 . . . . . . 459 . . . 7009 1 957 . 1 1 97 97 HIS CD2 C 13 118.603 0.000 . . . . . . 459 . . . 7009 1 958 . 1 1 97 97 HIS CE1 C 13 139.346 0.000 . . . . . . 459 . . . 7009 1 959 . 1 1 97 97 HIS N N 15 123.931 0.000 . . . . . . 459 . . . 7009 1 960 . 1 1 98 98 LEU H H 1 8.807 0.000 . . . . . . 460 . . . 7009 1 961 . 1 1 98 98 LEU HA H 1 5.753 0.000 . . . . . . 460 . . . 7009 1 962 . 1 1 98 98 LEU HB2 H 1 1.226 0.000 . . . . . . 460 . . . 7009 1 963 . 1 1 98 98 LEU HB3 H 1 1.893 0.000 . . . . . . 460 . . . 7009 1 964 . 1 1 98 98 LEU HG H 1 0.954 0.000 . . . . . . 460 . . . 7009 1 965 . 1 1 98 98 LEU HD11 H 1 0.061 0.000 . . . . . . 460 . . . 7009 1 966 . 1 1 98 98 LEU HD12 H 1 0.061 0.000 . . . . . . 460 . . . 7009 1 967 . 1 1 98 98 LEU HD13 H 1 0.061 0.000 . . . . . . 460 . . . 7009 1 968 . 1 1 98 98 LEU HD21 H 1 0.470 0.000 . . . . . . 460 . . . 7009 1 969 . 1 1 98 98 LEU HD22 H 1 0.470 0.000 . . . . . . 460 . . . 7009 1 970 . 1 1 98 98 LEU HD23 H 1 0.470 0.000 . . . . . . 460 . . . 7009 1 971 . 1 1 98 98 LEU CA C 13 53.350 0.000 . . . . . . 460 . . . 7009 1 972 . 1 1 98 98 LEU CB C 13 43.951 0.000 . . . . . . 460 . . . 7009 1 973 . 1 1 98 98 LEU CG C 13 25.804 0.000 . . . . . . 460 . . . 7009 1 974 . 1 1 98 98 LEU CD1 C 13 25.275 0.000 . . . . . . 460 . . . 7009 1 975 . 1 1 98 98 LEU CD2 C 13 21.920 0.000 . . . . . . 460 . . . 7009 1 976 . 1 1 98 98 LEU N N 15 122.180 0.000 . . . . . . 460 . . . 7009 1 977 . 1 1 99 99 SER H H 1 8.947 0.000 . . . . . . 461 . . . 7009 1 978 . 1 1 99 99 SER HA H 1 4.565 0.000 . . . . . . 461 . . . 7009 1 979 . 1 1 99 99 SER HB2 H 1 3.847 0.000 . . . . . . 461 . . . 7009 1 980 . 1 1 99 99 SER HB3 H 1 3.891 0.000 . . . . . . 461 . . . 7009 1 981 . 1 1 99 99 SER CA C 13 58.169 0.000 . . . . . . 461 . . . 7009 1 982 . 1 1 99 99 SER CB C 13 65.887 0.000 . . . . . . 461 . . . 7009 1 983 . 1 1 99 99 SER N N 15 112.155 0.000 . . . . . . 461 . . . 7009 1 984 . 1 1 100 100 ASN H H 1 8.646 0.000 . . . . . . 462 . . . 7009 1 985 . 1 1 100 100 ASN HA H 1 4.289 0.000 . . . . . . 462 . . . 7009 1 986 . 1 1 100 100 ASN HB2 H 1 2.477 0.000 . . . . . . 462 . . . 7009 1 987 . 1 1 100 100 ASN HB3 H 1 3.127 0.000 . . . . . . 462 . . . 7009 1 988 . 1 1 100 100 ASN HD21 H 1 6.600 0.000 . . . . . . 462 . . . 7009 1 989 . 1 1 100 100 ASN HD22 H 1 7.800 0.000 . . . . . . 462 . . . 7009 1 990 . 1 1 100 100 ASN CA C 13 53.703 0.000 . . . . . . 462 . . . 7009 1 991 . 1 1 100 100 ASN CB C 13 37.605 0.000 . . . . . . 462 . . . 7009 1 992 . 1 1 100 100 ASN N N 15 115.722 0.000 . . . . . . 462 . . . 7009 1 993 . 1 1 100 100 ASN ND2 N 15 111.963 0.000 . . . . . . 462 . . . 7009 1 994 . 1 1 101 101 VAL H H 1 8.023 0.000 . . . . . . 463 . . . 7009 1 995 . 1 1 101 101 VAL HA H 1 4.740 0.005 . . . . . . 463 . . . 7009 1 996 . 1 1 101 101 VAL HB H 1 1.847 0.000 . . . . . . 463 . . . 7009 1 997 . 1 1 101 101 VAL HG11 H 1 0.623 0.000 . . . . . . 463 . . . 7009 1 998 . 1 1 101 101 VAL HG12 H 1 0.623 0.000 . . . . . . 463 . . . 7009 1 999 . 1 1 101 101 VAL HG13 H 1 0.623 0.000 . . . . . . 463 . . . 7009 1 1000 . 1 1 101 101 VAL HG21 H 1 0.814 0.000 . . . . . . 463 . . . 7009 1 1001 . 1 1 101 101 VAL HG22 H 1 0.814 0.000 . . . . . . 463 . . . 7009 1 1002 . 1 1 101 101 VAL HG23 H 1 0.814 0.000 . . . . . . 463 . . . 7009 1 1003 . 1 1 101 101 VAL CA C 13 63.239 0.000 . . . . . . 463 . . . 7009 1 1004 . 1 1 101 101 VAL CB C 13 32.017 0.000 . . . . . . 463 . . . 7009 1 1005 . 1 1 101 101 VAL CG1 C 13 22.119 0.000 . . . . . . 463 . . . 7009 1 1006 . 1 1 101 101 VAL CG2 C 13 23.639 0.000 . . . . . . 463 . . . 7009 1 1007 . 1 1 101 101 VAL N N 15 118.164 0.000 . . . . . . 463 . . . 7009 1 1008 . 1 1 102 102 LYS H H 1 9.225 0.000 . . . . . . 464 . . . 7009 1 1009 . 1 1 102 102 LYS HA H 1 4.807 0.000 . . . . . . 464 . . . 7009 1 1010 . 1 1 102 102 LYS HB2 H 1 1.605 0.000 . . . . . . 464 . . . 7009 1 1011 . 1 1 102 102 LYS HB3 H 1 1.775 0.000 . . . . . . 464 . . . 7009 1 1012 . 1 1 102 102 LYS HG2 H 1 1.257 0.000 . . . . . . 464 . . . 7009 1 1013 . 1 1 102 102 LYS HG3 H 1 1.342 0.000 . . . . . . 464 . . . 7009 1 1014 . 1 1 102 102 LYS HD2 H 1 1.503 0.001 . . . . . . 464 . . . 7009 1 1015 . 1 1 102 102 LYS HD3 H 1 1.503 0.001 . . . . . . 464 . . . 7009 1 1016 . 1 1 102 102 LYS HE2 H 1 2.788 0.000 . . . . . . 464 . . . 7009 1 1017 . 1 1 102 102 LYS HE3 H 1 2.788 0.000 . . . . . . 464 . . . 7009 1 1018 . 1 1 102 102 LYS CA C 13 54.939 0.000 . . . . . . 464 . . . 7009 1 1019 . 1 1 102 102 LYS CB C 13 36.929 0.000 . . . . . . 464 . . . 7009 1 1020 . 1 1 102 102 LYS CG C 13 24.656 0.000 . . . . . . 464 . . . 7009 1 1021 . 1 1 102 102 LYS CD C 13 29.220 0.000 . . . . . . 464 . . . 7009 1 1022 . 1 1 102 102 LYS CE C 13 42.049 0.000 . . . . . . 464 . . . 7009 1 1023 . 1 1 102 102 LYS N N 15 129.216 0.000 . . . . . . 464 . . . 7009 1 1024 . 1 1 103 103 VAL H H 1 8.631 0.000 . . . . . . 465 . . . 7009 1 1025 . 1 1 103 103 VAL HA H 1 5.020 0.001 . . . . . . 465 . . . 7009 1 1026 . 1 1 103 103 VAL HB H 1 1.957 0.001 . . . . . . 465 . . . 7009 1 1027 . 1 1 103 103 VAL HG11 H 1 0.931 0.000 . . . . . . 465 . . . 7009 1 1028 . 1 1 103 103 VAL HG12 H 1 0.931 0.000 . . . . . . 465 . . . 7009 1 1029 . 1 1 103 103 VAL HG13 H 1 0.931 0.000 . . . . . . 465 . . . 7009 1 1030 . 1 1 103 103 VAL HG21 H 1 0.909 0.000 . . . . . . 465 . . . 7009 1 1031 . 1 1 103 103 VAL HG22 H 1 0.909 0.000 . . . . . . 465 . . . 7009 1 1032 . 1 1 103 103 VAL HG23 H 1 0.909 0.000 . . . . . . 465 . . . 7009 1 1033 . 1 1 103 103 VAL CA C 13 60.766 0.000 . . . . . . 465 . . . 7009 1 1034 . 1 1 103 103 VAL CB C 13 34.561 0.000 . . . . . . 465 . . . 7009 1 1035 . 1 1 103 103 VAL CG1 C 13 21.610 0.000 . . . . . . 465 . . . 7009 1 1036 . 1 1 103 103 VAL CG2 C 13 22.627 0.000 . . . . . . 465 . . . 7009 1 1037 . 1 1 103 103 VAL N N 15 120.252 0.000 . . . . . . 465 . . . 7009 1 1038 . 1 1 104 104 SER H H 1 8.852 0.000 . . . . . . 466 . . . 7009 1 1039 . 1 1 104 104 SER HA H 1 4.719 0.000 . . . . . . 466 . . . 7009 1 1040 . 1 1 104 104 SER HB2 H 1 3.825 0.000 . . . . . . 466 . . . 7009 1 1041 . 1 1 104 104 SER HB3 H 1 3.825 0.000 . . . . . . 466 . . . 7009 1 1042 . 1 1 104 104 SER CA C 13 57.765 0.000 . . . . . . 466 . . . 7009 1 1043 . 1 1 104 104 SER CB C 13 64.651 0.000 . . . . . . 466 . . . 7009 1 1044 . 1 1 104 104 SER N N 15 120.734 0.000 . . . . . . 466 . . . 7009 1 1045 . 1 1 105 105 SER HA H 1 4.719 0.000 . . . . . . 467 . . . 7009 1 1046 . 1 1 105 105 SER HB2 H 1 3.774 0.000 . . . . . . 467 . . . 7009 1 1047 . 1 1 105 105 SER HB3 H 1 3.898 0.000 . . . . . . 467 . . . 7009 1 1048 . 1 1 105 105 SER CA C 13 57.808 0.000 . . . . . . 467 . . . 7009 1 1049 . 1 1 105 105 SER CB C 13 64.516 0.000 . . . . . . 467 . . . 7009 1 1050 . 1 1 106 106 GLU H H 1 8.603 0.000 . . . . . . 468 . . . 7009 1 1051 . 1 1 106 106 GLU HA H 1 4.324 0.000 . . . . . . 468 . . . 7009 1 1052 . 1 1 106 106 GLU HB2 H 1 1.942 0.000 . . . . . . 468 . . . 7009 1 1053 . 1 1 106 106 GLU HB3 H 1 2.097 0.000 . . . . . . 468 . . . 7009 1 1054 . 1 1 106 106 GLU HG2 H 1 2.253 0.000 . . . . . . 468 . . . 7009 1 1055 . 1 1 106 106 GLU HG3 H 1 2.253 0.000 . . . . . . 468 . . . 7009 1 1056 . 1 1 106 106 GLU CA C 13 56.898 0.000 . . . . . . 468 . . . 7009 1 1057 . 1 1 106 106 GLU CB C 13 30.496 0.000 . . . . . . 468 . . . 7009 1 1058 . 1 1 106 106 GLU CG C 13 36.338 0.000 . . . . . . 468 . . . 7009 1 1059 . 1 1 106 106 GLU N N 15 123.433 0.000 . . . . . . 468 . . . 7009 1 1060 . 1 1 107 107 ALA H H 1 8.288 0.000 . . . . . . 469 . . . 7009 1 1061 . 1 1 107 107 ALA HA H 1 4.367 0.000 . . . . . . 469 . . . 7009 1 1062 . 1 1 107 107 ALA HB1 H 1 1.378 0.000 . . . . . . 469 . . . 7009 1 1063 . 1 1 107 107 ALA HB2 H 1 1.378 0.000 . . . . . . 469 . . . 7009 1 1064 . 1 1 107 107 ALA HB3 H 1 1.378 0.000 . . . . . . 469 . . . 7009 1 1065 . 1 1 107 107 ALA CA C 13 52.467 0.000 . . . . . . 469 . . . 7009 1 1066 . 1 1 107 107 ALA CB C 13 19.327 0.000 . . . . . . 469 . . . 7009 1 1067 . 1 1 107 107 ALA N N 15 124.108 0.000 . . . . . . 469 . . . 7009 1 1068 . 1 1 108 108 SER H H 1 8.119 0.000 . . . . . . 470 . . . 7009 1 1069 . 1 1 108 108 SER HA H 1 4.470 0.000 . . . . . . 470 . . . 7009 1 1070 . 1 1 108 108 SER HB2 H 1 3.855 0.000 . . . . . . 470 . . . 7009 1 1071 . 1 1 108 108 SER HB3 H 1 3.950 0.000 . . . . . . 470 . . . 7009 1 1072 . 1 1 108 108 SER CA C 13 58.294 0.000 . . . . . . 470 . . . 7009 1 1073 . 1 1 108 108 SER CB C 13 64.121 0.000 . . . . . . 470 . . . 7009 1 1074 . 1 1 108 108 SER N N 15 114.854 0.000 . . . . . . 470 . . . 7009 1 1075 . 1 1 109 109 GLU H H 1 8.544 0.000 . . . . . . 471 . . . 7009 1 1076 . 1 1 109 109 GLU HA H 1 4.272 0.000 . . . . . . 471 . . . 7009 1 1077 . 1 1 109 109 GLU HB2 H 1 1.957 0.000 . . . . . . 471 . . . 7009 1 1078 . 1 1 109 109 GLU HB3 H 1 2.096 0.000 . . . . . . 471 . . . 7009 1 1079 . 1 1 109 109 GLU HG2 H 1 2.254 0.000 . . . . . . 471 . . . 7009 1 1080 . 1 1 109 109 GLU HG3 H 1 2.254 0.000 . . . . . . 471 . . . 7009 1 1081 . 1 1 109 109 GLU CA C 13 57.408 0.000 . . . . . . 471 . . . 7009 1 1082 . 1 1 109 109 GLU CB C 13 30.219 0.000 . . . . . . 471 . . . 7009 1 1083 . 1 1 109 109 GLU CG C 13 36.336 0.000 . . . . . . 471 . . . 7009 1 1084 . 1 1 109 109 GLU N N 15 123.240 0.000 . . . . . . 471 . . . 7009 1 1085 . 1 1 110 110 ASP H H 1 8.203 0.000 . . . . . . 472 . . . 7009 1 1086 . 1 1 110 110 ASP HA H 1 4.587 0.000 . . . . . . 472 . . . 7009 1 1087 . 1 1 110 110 ASP HB2 H 1 2.676 0.000 . . . . . . 472 . . . 7009 1 1088 . 1 1 110 110 ASP HB3 H 1 2.676 0.000 . . . . . . 472 . . . 7009 1 1089 . 1 1 110 110 ASP CA C 13 54.545 0.000 . . . . . . 472 . . . 7009 1 1090 . 1 1 110 110 ASP CB C 13 41.156 0.000 . . . . . . 472 . . . 7009 1 1091 . 1 1 110 110 ASP N N 15 119.385 0.000 . . . . . . 472 . . . 7009 1 1092 . 1 1 111 111 GLY H H 1 8.113 0.000 . . . . . . 473 . . . 7009 1 1093 . 1 1 111 111 GLY HA2 H 1 3.898 0.000 . . . . . . 473 . . . 7009 1 1094 . 1 1 111 111 GLY HA3 H 1 3.957 0.000 . . . . . . 473 . . . 7009 1 1095 . 1 1 111 111 GLY CA C 13 45.689 0.000 . . . . . . 473 . . . 7009 1 1096 . 1 1 111 111 GLY N N 15 108.589 0.000 . . . . . . 473 . . . 7009 1 1097 . 1 1 112 112 ILE H H 1 8.075 0.000 . . . . . . 474 . . . 7009 1 1098 . 1 1 112 112 ILE HA H 1 4.126 0.000 . . . . . . 474 . . . 7009 1 1099 . 1 1 112 112 ILE HB H 1 1.854 0.000 . . . . . . 474 . . . 7009 1 1100 . 1 1 112 112 ILE HG12 H 1 1.107 0.000 . . . . . . 474 . . . 7009 1 1101 . 1 1 112 112 ILE HG13 H 1 1.388 0.000 . . . . . . 474 . . . 7009 1 1102 . 1 1 112 112 ILE HG21 H 1 0.850 0.000 . . . . . . 474 . . . 7009 1 1103 . 1 1 112 112 ILE HG22 H 1 0.850 0.000 . . . . . . 474 . . . 7009 1 1104 . 1 1 112 112 ILE HG23 H 1 0.850 0.000 . . . . . . 474 . . . 7009 1 1105 . 1 1 112 112 ILE HD11 H 1 0.792 0.000 . . . . . . 474 . . . 7009 1 1106 . 1 1 112 112 ILE HD12 H 1 0.792 0.000 . . . . . . 474 . . . 7009 1 1107 . 1 1 112 112 ILE HD13 H 1 0.792 0.000 . . . . . . 474 . . . 7009 1 1108 . 1 1 112 112 ILE CA C 13 61.215 0.000 . . . . . . 474 . . . 7009 1 1109 . 1 1 112 112 ILE CB C 13 38.518 0.000 . . . . . . 474 . . . 7009 1 1110 . 1 1 112 112 ILE CG1 C 13 27.450 0.000 . . . . . . 474 . . . 7009 1 1111 . 1 1 112 112 ILE CG2 C 13 17.682 0.000 . . . . . . 474 . . . 7009 1 1112 . 1 1 112 112 ILE CD1 C 13 12.724 0.000 . . . . . . 474 . . . 7009 1 1113 . 1 1 112 112 ILE N N 15 120.156 0.000 . . . . . . 474 . . . 7009 1 1114 . 1 1 113 113 LEU H H 1 8.309 0.000 . . . . . . 475 . . . 7009 1 1115 . 1 1 113 113 LEU HA H 1 4.353 0.000 . . . . . . 475 . . . 7009 1 1116 . 1 1 113 113 LEU HB2 H 1 1.531 0.000 . . . . . . 475 . . . 7009 1 1117 . 1 1 113 113 LEU HB3 H 1 1.627 0.000 . . . . . . 475 . . . 7009 1 1118 . 1 1 113 113 LEU HG H 1 1.599 0.000 . . . . . . 475 . . . 7009 1 1119 . 1 1 113 113 LEU HD11 H 1 0.867 0.000 . . . . . . 475 . . . 7009 1 1120 . 1 1 113 113 LEU HD12 H 1 0.867 0.000 . . . . . . 475 . . . 7009 1 1121 . 1 1 113 113 LEU HD13 H 1 0.867 0.000 . . . . . . 475 . . . 7009 1 1122 . 1 1 113 113 LEU HD21 H 1 0.807 0.000 . . . . . . 475 . . . 7009 1 1123 . 1 1 113 113 LEU HD22 H 1 0.807 0.000 . . . . . . 475 . . . 7009 1 1124 . 1 1 113 113 LEU HD23 H 1 0.807 0.000 . . . . . . 475 . . . 7009 1 1125 . 1 1 113 113 LEU CA C 13 55.375 0.000 . . . . . . 475 . . . 7009 1 1126 . 1 1 113 113 LEU CB C 13 42.579 0.000 . . . . . . 475 . . . 7009 1 1127 . 1 1 113 113 LEU CG C 13 27.041 0.000 . . . . . . 475 . . . 7009 1 1128 . 1 1 113 113 LEU CD1 C 13 24.911 0.000 . . . . . . 475 . . . 7009 1 1129 . 1 1 113 113 LEU CD2 C 13 23.641 0.000 . . . . . . 475 . . . 7009 1 1130 . 1 1 113 113 LEU N N 15 126.325 0.000 . . . . . . 475 . . . 7009 1 1131 . 1 1 114 114 GLU H H 1 8.309 0.000 . . . . . . 476 . . . 7009 1 1132 . 1 1 114 114 GLU HA H 1 4.294 0.000 . . . . . . 476 . . . 7009 1 1133 . 1 1 114 114 GLU HB2 H 1 1.878 0.000 . . . . . . 476 . . . 7009 1 1134 . 1 1 114 114 GLU HB3 H 1 2.019 0.001 . . . . . . 476 . . . 7009 1 1135 . 1 1 114 114 GLU HG2 H 1 2.254 0.000 . . . . . . 476 . . . 7009 1 1136 . 1 1 114 114 GLU HG3 H 1 2.254 0.000 . . . . . . 476 . . . 7009 1 1137 . 1 1 114 114 GLU CA C 13 56.388 0.000 . . . . . . 476 . . . 7009 1 1138 . 1 1 114 114 GLU CB C 13 30.754 0.000 . . . . . . 476 . . . 7009 1 1139 . 1 1 114 114 GLU CG C 13 36.332 0.000 . . . . . . 476 . . . 7009 1 1140 . 1 1 114 114 GLU N N 15 121.794 0.000 . . . . . . 476 . . . 7009 1 1141 . 1 1 115 115 ALA H H 1 8.236 0.000 . . . . . . 477 . . . 7009 1 1142 . 1 1 115 115 ALA HA H 1 4.258 0.000 . . . . . . 477 . . . 7009 1 1143 . 1 1 115 115 ALA HB1 H 1 1.297 0.000 . . . . . . 477 . . . 7009 1 1144 . 1 1 115 115 ALA HB2 H 1 1.297 0.000 . . . . . . 477 . . . 7009 1 1145 . 1 1 115 115 ALA HB3 H 1 1.297 0.000 . . . . . . 477 . . . 7009 1 1146 . 1 1 115 115 ALA CA C 13 53.083 0.000 . . . . . . 477 . . . 7009 1 1147 . 1 1 115 115 ALA CB C 13 19.322 0.000 . . . . . . 477 . . . 7009 1 1148 . 1 1 115 115 ALA N N 15 124.397 0.000 . . . . . . 477 . . . 7009 1 1149 . 1 1 116 116 ASN HA H 1 4.719 0.000 . . . . . . 478 . . . 7009 1 1150 . 1 1 116 116 ASN HB2 H 1 2.707 0.000 . . . . . . 478 . . . 7009 1 1151 . 1 1 116 116 ASN HB3 H 1 2.707 0.000 . . . . . . 478 . . . 7009 1 1152 . 1 1 116 116 ASN CA C 13 53.174 0.000 . . . . . . 478 . . . 7009 1 1153 . 1 1 116 116 ASN CB C 13 39.224 0.000 . . . . . . 478 . . . 7009 1 1154 . 1 1 117 117 HIS HA H 1 4.510 0.000 . . . . . . 479 . . . 7009 1 1155 . 1 1 117 117 HIS HB2 H 1 2.950 0.000 . . . . . . 479 . . . 7009 1 1156 . 1 1 117 117 HIS HB3 H 1 2.950 0.000 . . . . . . 479 . . . 7009 1 1157 . 1 1 117 117 HIS CA C 13 56.254 0.000 . . . . . . 479 . . . 7009 1 1158 . 1 1 117 117 HIS CB C 13 31.005 0.000 . . . . . . 479 . . . 7009 1 1159 . 1 1 118 118 VAL H H 1 7.650 0.000 . . . . . . 480 . . . 7009 1 1160 . 1 1 118 118 VAL HA H 1 4.103 0.000 . . . . . . 480 . . . 7009 1 1161 . 1 1 118 118 VAL HB H 1 1.803 0.000 . . . . . . 480 . . . 7009 1 1162 . 1 1 118 118 VAL HG11 H 1 0.718 0.000 . . . . . . 480 . . . 7009 1 1163 . 1 1 118 118 VAL HG12 H 1 0.718 0.000 . . . . . . 480 . . . 7009 1 1164 . 1 1 118 118 VAL HG13 H 1 0.718 0.000 . . . . . . 480 . . . 7009 1 1165 . 1 1 118 118 VAL HG21 H 1 0.748 0.000 . . . . . . 480 . . . 7009 1 1166 . 1 1 118 118 VAL HG22 H 1 0.748 0.000 . . . . . . 480 . . . 7009 1 1167 . 1 1 118 118 VAL HG23 H 1 0.748 0.000 . . . . . . 480 . . . 7009 1 1168 . 1 1 118 118 VAL CA C 13 61.119 0.000 . . . . . . 480 . . . 7009 1 1169 . 1 1 118 118 VAL CB C 13 34.104 0.000 . . . . . . 480 . . . 7009 1 1170 . 1 1 118 118 VAL CG1 C 13 21.092 0.000 . . . . . . 480 . . . 7009 1 1171 . 1 1 118 118 VAL CG2 C 13 21.092 0.000 . . . . . . 480 . . . 7009 1 1172 . 1 1 118 118 VAL N N 15 120.445 0.000 . . . . . . 480 . . . 7009 1 1173 . 1 1 119 119 SER H H 1 8.089 0.000 . . . . . . 481 . . . 7009 1 1174 . 1 1 119 119 SER N N 15 120.541 0.000 . . . . . . 481 . . . 7009 1 1175 . 1 1 121 121 LEU H H 1 8.141 0.000 . . . . . . 483 . . . 7009 1 1176 . 1 1 121 121 LEU HA H 1 4.455 0.000 . . . . . . 483 . . . 7009 1 1177 . 1 1 121 121 LEU HB2 H 1 1.584 0.000 . . . . . . 483 . . . 7009 1 1178 . 1 1 121 121 LEU HB3 H 1 1.700 0.000 . . . . . . 483 . . . 7009 1 1179 . 1 1 121 121 LEU HG H 1 1.633 0.000 . . . . . . 483 . . . 7009 1 1180 . 1 1 121 121 LEU HD11 H 1 0.865 0.000 . . . . . . 483 . . . 7009 1 1181 . 1 1 121 121 LEU HD12 H 1 0.865 0.000 . . . . . . 483 . . . 7009 1 1182 . 1 1 121 121 LEU HD13 H 1 0.865 0.000 . . . . . . 483 . . . 7009 1 1183 . 1 1 121 121 LEU HD21 H 1 0.836 0.000 . . . . . . 483 . . . 7009 1 1184 . 1 1 121 121 LEU HD22 H 1 0.836 0.000 . . . . . . 483 . . . 7009 1 1185 . 1 1 121 121 LEU HD23 H 1 0.836 0.000 . . . . . . 483 . . . 7009 1 1186 . 1 1 121 121 LEU CA C 13 55.469 0.000 . . . . . . 483 . . . 7009 1 1187 . 1 1 121 121 LEU CB C 13 43.698 0.000 . . . . . . 483 . . . 7009 1 1188 . 1 1 121 121 LEU CG C 13 27.192 0.000 . . . . . . 483 . . . 7009 1 1189 . 1 1 121 121 LEU CD1 C 13 25.668 0.000 . . . . . . 483 . . . 7009 1 1190 . 1 1 121 121 LEU CD2 C 13 23.133 0.000 . . . . . . 483 . . . 7009 1 1191 . 1 1 121 121 LEU N N 15 117.168 0.000 . . . . . . 483 . . . 7009 1 1192 . 1 1 122 122 ALA H H 1 7.811 0.000 . . . . . . 484 . . . 7009 1 1193 . 1 1 122 122 ALA HA H 1 5.283 0.000 . . . . . . 484 . . . 7009 1 1194 . 1 1 122 122 ALA HB1 H 1 0.990 0.000 . . . . . . 484 . . . 7009 1 1195 . 1 1 122 122 ALA HB2 H 1 0.990 0.000 . . . . . . 484 . . . 7009 1 1196 . 1 1 122 122 ALA HB3 H 1 0.990 0.000 . . . . . . 484 . . . 7009 1 1197 . 1 1 122 122 ALA CA C 13 51.057 0.000 . . . . . . 484 . . . 7009 1 1198 . 1 1 122 122 ALA CB C 13 22.114 0.000 . . . . . . 484 . . . 7009 1 1199 . 1 1 122 122 ALA N N 15 121.409 0.000 . . . . . . 484 . . . 7009 1 1200 . 1 1 123 123 CYS H H 1 8.845 0.002 . . . . . . 485 . . . 7009 1 1201 . 1 1 123 123 CYS HA H 1 4.756 0.000 . . . . . . 485 . . . 7009 1 1202 . 1 1 123 123 CYS HB2 H 1 2.910 0.000 . . . . . . 485 . . . 7009 1 1203 . 1 1 123 123 CYS HB3 H 1 3.048 0.000 . . . . . . 485 . . . 7009 1 1204 . 1 1 123 123 CYS CA C 13 55.903 0.000 . . . . . . 485 . . . 7009 1 1205 . 1 1 123 123 CYS CB C 13 31.631 0.000 . . . . . . 485 . . . 7009 1 1206 . 1 1 123 123 CYS N N 15 115.336 0.000 . . . . . . 485 . . . 7009 1 1207 . 1 1 124 124 LEU H H 1 8.600 0.000 . . . . . . 486 . . . 7009 1 1208 . 1 1 124 124 LEU HA H 1 4.103 0.000 . . . . . . 486 . . . 7009 1 1209 . 1 1 124 124 LEU HB2 H 1 1.334 0.000 . . . . . . 486 . . . 7009 1 1210 . 1 1 124 124 LEU HB3 H 1 1.786 0.001 . . . . . . 486 . . . 7009 1 1211 . 1 1 124 124 LEU HG H 1 1.569 0.000 . . . . . . 486 . . . 7009 1 1212 . 1 1 124 124 LEU HD11 H 1 0.777 0.000 . . . . . . 486 . . . 7009 1 1213 . 1 1 124 124 LEU HD12 H 1 0.777 0.000 . . . . . . 486 . . . 7009 1 1214 . 1 1 124 124 LEU HD13 H 1 0.777 0.000 . . . . . . 486 . . . 7009 1 1215 . 1 1 124 124 LEU HD21 H 1 0.528 0.000 . . . . . . 486 . . . 7009 1 1216 . 1 1 124 124 LEU HD22 H 1 0.528 0.000 . . . . . . 486 . . . 7009 1 1217 . 1 1 124 124 LEU HD23 H 1 0.528 0.000 . . . . . . 486 . . . 7009 1 1218 . 1 1 124 124 LEU CA C 13 55.469 0.000 . . . . . . 486 . . . 7009 1 1219 . 1 1 124 124 LEU CB C 13 41.520 0.000 . . . . . . 486 . . . 7009 1 1220 . 1 1 124 124 LEU CG C 13 26.334 0.000 . . . . . . 486 . . . 7009 1 1221 . 1 1 124 124 LEU CD1 C 13 25.804 0.000 . . . . . . 486 . . . 7009 1 1222 . 1 1 124 124 LEU CD2 C 13 22.626 0.000 . . . . . . 486 . . . 7009 1 1223 . 1 1 124 124 LEU N N 15 120.349 0.000 . . . . . . 486 . . . 7009 1 1224 . 1 1 125 125 GLY H H 1 9.145 0.000 . . . . . . 487 . . . 7009 1 1225 . 1 1 125 125 GLY HA2 H 1 3.327 0.000 . . . . . . 487 . . . 7009 1 1226 . 1 1 125 125 GLY HA3 H 1 4.536 0.000 . . . . . . 487 . . . 7009 1 1227 . 1 1 125 125 GLY CA C 13 43.639 0.000 . . . . . . 487 . . . 7009 1 1228 . 1 1 125 125 GLY N N 15 111.945 0.000 . . . . . . 487 . . . 7009 1 1229 . 1 1 126 126 SER H H 1 7.745 0.000 . . . . . . 488 . . . 7009 1 1230 . 1 1 126 126 SER HA H 1 5.181 0.000 . . . . . . 488 . . . 7009 1 1231 . 1 1 126 126 SER HB2 H 1 3.657 0.000 . . . . . . 488 . . . 7009 1 1232 . 1 1 126 126 SER HB3 H 1 3.693 0.000 . . . . . . 488 . . . 7009 1 1233 . 1 1 126 126 SER CA C 13 54.617 0.000 . . . . . . 488 . . . 7009 1 1234 . 1 1 126 126 SER CB C 13 64.828 0.000 . . . . . . 488 . . . 7009 1 1235 . 1 1 126 126 SER N N 15 114.276 0.000 . . . . . . 488 . . . 7009 1 1236 . 1 1 127 127 PRO HA H 1 5.107 0.000 . . . . . . 489 . . . 7009 1 1237 . 1 1 127 127 PRO HB2 H 1 2.522 0.000 . . . . . . 489 . . . 7009 1 1238 . 1 1 127 127 PRO HB3 H 1 2.594 0.000 . . . . . . 489 . . . 7009 1 1239 . 1 1 127 127 PRO HG2 H 1 1.879 0.000 . . . . . . 489 . . . 7009 1 1240 . 1 1 127 127 PRO HG3 H 1 2.301 0.000 . . . . . . 489 . . . 7009 1 1241 . 1 1 127 127 PRO HD2 H 1 3.591 0.000 . . . . . . 489 . . . 7009 1 1242 . 1 1 127 127 PRO HD3 H 1 4.184 0.000 . . . . . . 489 . . . 7009 1 1243 . 1 1 127 127 PRO CA C 13 63.245 0.000 . . . . . . 489 . . . 7009 1 1244 . 1 1 127 127 PRO CB C 13 34.054 0.000 . . . . . . 489 . . . 7009 1 1245 . 1 1 127 127 PRO CG C 13 24.905 0.001 . . . . . . 489 . . . 7009 1 1246 . 1 1 127 127 PRO CD C 13 50.551 0.000 . . . . . . 489 . . . 7009 1 1247 . 1 1 128 128 SER H H 1 9.386 0.000 . . . . . . 490 . . . 7009 1 1248 . 1 1 128 128 SER HA H 1 4.785 0.000 . . . . . . 490 . . . 7009 1 1249 . 1 1 128 128 SER HB2 H 1 4.221 0.000 . . . . . . 490 . . . 7009 1 1250 . 1 1 128 128 SER HB3 H 1 4.477 0.000 . . . . . . 490 . . . 7009 1 1251 . 1 1 128 128 SER CA C 13 58.419 0.000 . . . . . . 490 . . . 7009 1 1252 . 1 1 128 128 SER CB C 13 64.008 0.000 . . . . . . 490 . . . 7009 1 1253 . 1 1 128 128 SER N N 15 117.457 0.000 . . . . . . 490 . . . 7009 1 1254 . 1 1 129 129 THR H H 1 7.826 0.000 . . . . . . 491 . . . 7009 1 1255 . 1 1 129 129 THR HA H 1 5.628 0.000 . . . . . . 491 . . . 7009 1 1256 . 1 1 129 129 THR HB H 1 3.892 0.000 . . . . . . 491 . . . 7009 1 1257 . 1 1 129 129 THR HG21 H 1 1.121 0.000 . . . . . . 491 . . . 7009 1 1258 . 1 1 129 129 THR HG22 H 1 1.121 0.000 . . . . . . 491 . . . 7009 1 1259 . 1 1 129 129 THR HG23 H 1 1.121 0.000 . . . . . . 491 . . . 7009 1 1260 . 1 1 129 129 THR CA C 13 62.744 0.000 . . . . . . 491 . . . 7009 1 1261 . 1 1 129 129 THR CB C 13 73.344 0.000 . . . . . . 491 . . . 7009 1 1262 . 1 1 129 129 THR CG2 C 13 22.625 0.000 . . . . . . 491 . . . 7009 1 1263 . 1 1 129 129 THR N N 15 119.963 0.000 . . . . . . 491 . . . 7009 1 1264 . 1 1 130 130 ALA H H 1 8.954 0.000 . . . . . . 492 . . . 7009 1 1265 . 1 1 130 130 ALA HA H 1 4.895 0.000 . . . . . . 492 . . . 7009 1 1266 . 1 1 130 130 ALA HB1 H 1 0.257 0.000 . . . . . . 492 . . . 7009 1 1267 . 1 1 130 130 ALA HB2 H 1 0.257 0.000 . . . . . . 492 . . . 7009 1 1268 . 1 1 130 130 ALA HB3 H 1 0.257 0.000 . . . . . . 492 . . . 7009 1 1269 . 1 1 130 130 ALA CA C 13 49.286 0.000 . . . . . . 492 . . . 7009 1 1270 . 1 1 130 130 ALA CB C 13 19.978 0.000 . . . . . . 492 . . . 7009 1 1271 . 1 1 130 130 ALA N N 15 129.062 0.000 . . . . . . 492 . . . 7009 1 1272 . 1 1 131 131 THR H H 1 8.090 0.000 . . . . . . 493 . . . 7009 1 1273 . 1 1 131 131 THR HA H 1 4.565 0.000 . . . . . . 493 . . . 7009 1 1274 . 1 1 131 131 THR HB H 1 3.825 0.000 . . . . . . 493 . . . 7009 1 1275 . 1 1 131 131 THR HG21 H 1 0.968 0.000 . . . . . . 493 . . . 7009 1 1276 . 1 1 131 131 THR HG22 H 1 0.968 0.000 . . . . . . 493 . . . 7009 1 1277 . 1 1 131 131 THR HG23 H 1 0.968 0.000 . . . . . . 493 . . . 7009 1 1278 . 1 1 131 131 THR CA C 13 61.718 0.000 . . . . . . 493 . . . 7009 1 1279 . 1 1 131 131 THR CB C 13 69.772 0.000 . . . . . . 493 . . . 7009 1 1280 . 1 1 131 131 THR CG2 C 13 21.037 0.000 . . . . . . 493 . . . 7009 1 1281 . 1 1 131 131 THR N N 15 116.204 0.000 . . . . . . 493 . . . 7009 1 1282 . 1 1 132 132 VAL H H 1 8.859 0.000 . . . . . . 494 . . . 7009 1 1283 . 1 1 132 132 VAL HA H 1 4.309 0.000 . . . . . . 494 . . . 7009 1 1284 . 1 1 132 132 VAL HB H 1 -0.092 0.000 . . . . . . 494 . . . 7009 1 1285 . 1 1 132 132 VAL HG11 H 1 0.242 0.000 . . . . . . 494 . . . 7009 1 1286 . 1 1 132 132 VAL HG12 H 1 0.242 0.000 . . . . . . 494 . . . 7009 1 1287 . 1 1 132 132 VAL HG13 H 1 0.242 0.000 . . . . . . 494 . . . 7009 1 1288 . 1 1 132 132 VAL HG21 H 1 0.022 0.000 . . . . . . 494 . . . 7009 1 1289 . 1 1 132 132 VAL HG22 H 1 0.022 0.000 . . . . . . 494 . . . 7009 1 1290 . 1 1 132 132 VAL HG23 H 1 0.022 0.000 . . . . . . 494 . . . 7009 1 1291 . 1 1 132 132 VAL CA C 13 60.199 0.000 . . . . . . 494 . . . 7009 1 1292 . 1 1 132 132 VAL CB C 13 31.631 0.000 . . . . . . 494 . . . 7009 1 1293 . 1 1 132 132 VAL CG1 C 13 22.375 0.000 . . . . . . 494 . . . 7009 1 1294 . 1 1 132 132 VAL CG2 C 13 20.598 0.000 . . . . . . 494 . . . 7009 1 1295 . 1 1 132 132 VAL N N 15 129.409 0.000 . . . . . . 494 . . . 7009 1 1296 . 1 1 133 133 THR H H 1 8.603 0.000 . . . . . . 495 . . . 7009 1 1297 . 1 1 133 133 THR HA H 1 4.652 0.000 . . . . . . 495 . . . 7009 1 1298 . 1 1 133 133 THR HB H 1 3.606 0.000 . . . . . . 495 . . . 7009 1 1299 . 1 1 133 133 THR HG21 H 1 0.617 0.000 . . . . . . 495 . . . 7009 1 1300 . 1 1 133 133 THR HG22 H 1 0.617 0.000 . . . . . . 495 . . . 7009 1 1301 . 1 1 133 133 THR HG23 H 1 0.617 0.000 . . . . . . 495 . . . 7009 1 1302 . 1 1 133 133 THR CA C 13 61.847 0.000 . . . . . . 495 . . . 7009 1 1303 . 1 1 133 133 THR CB C 13 70.301 0.000 . . . . . . 495 . . . 7009 1 1304 . 1 1 133 133 THR CG2 C 13 21.214 0.000 . . . . . . 495 . . . 7009 1 1305 . 1 1 133 133 THR N N 15 123.433 0.000 . . . . . . 495 . . . 7009 1 1306 . 1 1 134 134 ILE H H 1 9.072 0.000 . . . . . . 496 . . . 7009 1 1307 . 1 1 134 134 ILE HA H 1 4.462 0.000 . . . . . . 496 . . . 7009 1 1308 . 1 1 134 134 ILE HB H 1 1.627 0.001 . . . . . . 496 . . . 7009 1 1309 . 1 1 134 134 ILE HG12 H 1 0.638 0.000 . . . . . . 496 . . . 7009 1 1310 . 1 1 134 134 ILE HG13 H 1 1.517 0.000 . . . . . . 496 . . . 7009 1 1311 . 1 1 134 134 ILE HG21 H 1 0.733 0.000 . . . . . . 496 . . . 7009 1 1312 . 1 1 134 134 ILE HG22 H 1 0.733 0.000 . . . . . . 496 . . . 7009 1 1313 . 1 1 134 134 ILE HG23 H 1 0.733 0.000 . . . . . . 496 . . . 7009 1 1314 . 1 1 134 134 ILE HD11 H 1 0.982 0.002 . . . . . . 496 . . . 7009 1 1315 . 1 1 134 134 ILE HD12 H 1 0.982 0.002 . . . . . . 496 . . . 7009 1 1316 . 1 1 134 134 ILE HD13 H 1 0.982 0.002 . . . . . . 496 . . . 7009 1 1317 . 1 1 134 134 ILE CA C 13 59.707 0.000 . . . . . . 496 . . . 7009 1 1318 . 1 1 134 134 ILE CB C 13 40.140 0.000 . . . . . . 496 . . . 7009 1 1319 . 1 1 134 134 ILE CG1 C 13 26.687 0.000 . . . . . . 496 . . . 7009 1 1320 . 1 1 134 134 ILE CG2 C 13 17.152 0.000 . . . . . . 496 . . . 7009 1 1321 . 1 1 134 134 ILE CD1 C 13 14.754 0.000 . . . . . . 496 . . . 7009 1 1322 . 1 1 134 134 ILE N N 15 125.650 0.000 . . . . . . 496 . . . 7009 1 1323 . 1 1 135 135 PHE H H 1 9.775 0.000 . . . . . . 497 . . . 7009 1 1324 . 1 1 135 135 PHE HA H 1 4.932 0.000 . . . . . . 497 . . . 7009 1 1325 . 1 1 135 135 PHE HB2 H 1 2.968 0.000 . . . . . . 497 . . . 7009 1 1326 . 1 1 135 135 PHE HB3 H 1 3.159 0.000 . . . . . . 497 . . . 7009 1 1327 . 1 1 135 135 PHE HD1 H 1 7.195 0.000 . . . . . . 497 . . . 7009 1 1328 . 1 1 135 135 PHE HD2 H 1 7.195 0.000 . . . . . . 497 . . . 7009 1 1329 . 1 1 135 135 PHE CA C 13 55.999 0.000 . . . . . . 497 . . . 7009 1 1330 . 1 1 135 135 PHE CB C 13 38.524 0.025 . . . . . . 497 . . . 7009 1 1331 . 1 1 135 135 PHE CD1 C 13 131.188 0.000 . . . . . . 497 . . . 7009 1 1332 . 1 1 135 135 PHE N N 15 131.241 0.000 . . . . . . 497 . . . 7009 1 1333 . 1 1 136 136 ASP H H 1 8.991 0.000 . . . . . . 498 . . . 7009 1 1334 . 1 1 136 136 ASP HA H 1 4.338 0.000 . . . . . . 498 . . . 7009 1 1335 . 1 1 136 136 ASP HB2 H 1 2.272 0.000 . . . . . . 498 . . . 7009 1 1336 . 1 1 136 136 ASP HB3 H 1 2.580 0.000 . . . . . . 498 . . . 7009 1 1337 . 1 1 136 136 ASP CA C 13 56.352 0.000 . . . . . . 498 . . . 7009 1 1338 . 1 1 136 136 ASP CB C 13 45.471 0.000 . . . . . . 498 . . . 7009 1 1339 . 1 1 136 136 ASP N N 15 126.132 0.000 . . . . . . 498 . . . 7009 1 1340 . 1 1 137 137 ASP H H 1 7.752 0.000 . . . . . . 499 . . . 7009 1 1341 . 1 1 137 137 ASP HA H 1 4.888 0.000 . . . . . . 499 . . . 7009 1 1342 . 1 1 137 137 ASP HB2 H 1 2.213 0.000 . . . . . . 499 . . . 7009 1 1343 . 1 1 137 137 ASP HB3 H 1 3.049 0.000 . . . . . . 499 . . . 7009 1 1344 . 1 1 137 137 ASP CA C 13 52.644 0.000 . . . . . . 499 . . . 7009 1 1345 . 1 1 137 137 ASP CB C 13 41.162 0.000 . . . . . . 499 . . . 7009 1 1346 . 1 1 137 137 ASP N N 15 119.586 0.000 . . . . . . 499 . . . 7009 1 1347 . 1 1 138 138 ASP H H 1 8.016 0.000 . . . . . . 500 . . . 7009 1 1348 . 1 1 138 138 ASP HA H 1 4.991 0.000 . . . . . . 500 . . . 7009 1 1349 . 1 1 138 138 ASP HB2 H 1 2.631 0.000 . . . . . . 500 . . . 7009 1 1350 . 1 1 138 138 ASP HB3 H 1 2.903 0.000 . . . . . . 500 . . . 7009 1 1351 . 1 1 138 138 ASP CA C 13 54.763 0.000 . . . . . . 500 . . . 7009 1 1352 . 1 1 138 138 ASP CB C 13 40.140 0.000 . . . . . . 500 . . . 7009 1 1353 . 1 1 138 138 ASP N N 15 120.830 0.000 . . . . . . 500 . . . 7009 1 1354 . 1 1 139 139 HIS H H 1 7.900 0.000 . . . . . . 501 . . . 7009 1 1355 . 1 1 139 139 HIS HA H 1 4.478 0.000 . . . . . . 501 . . . 7009 1 1356 . 1 1 139 139 HIS HB2 H 1 3.071 0.000 . . . . . . 501 . . . 7009 1 1357 . 1 1 139 139 HIS HB3 H 1 3.129 0.000 . . . . . . 501 . . . 7009 1 1358 . 1 1 139 139 HIS HD2 H 1 7.034 0.000 . . . . . . 501 . . . 7009 1 1359 . 1 1 139 139 HIS CA C 13 55.999 0.000 . . . . . . 501 . . . 7009 1 1360 . 1 1 139 139 HIS CB C 13 31.000 0.000 . . . . . . 501 . . . 7009 1 1361 . 1 1 139 139 HIS CD2 C 13 119.768 0.000 . . . . . . 501 . . . 7009 1 1362 . 1 1 139 139 HIS N N 15 116.889 0.000 . . . . . . 501 . . . 7009 1 1363 . 1 1 140 140 ALA H H 1 8.251 0.000 . . . . . . 502 . . . 7009 1 1364 . 1 1 140 140 ALA HA H 1 4.184 0.000 . . . . . . 502 . . . 7009 1 1365 . 1 1 140 140 ALA HB1 H 1 1.195 0.000 . . . . . . 502 . . . 7009 1 1366 . 1 1 140 140 ALA HB2 H 1 1.195 0.000 . . . . . . 502 . . . 7009 1 1367 . 1 1 140 140 ALA HB3 H 1 1.195 0.000 . . . . . . 502 . . . 7009 1 1368 . 1 1 140 140 ALA CA C 13 52.644 0.000 . . . . . . 502 . . . 7009 1 1369 . 1 1 140 140 ALA CB C 13 18.918 0.000 . . . . . . 502 . . . 7009 1 1370 . 1 1 140 140 ALA N N 15 125.072 0.000 . . . . . . 502 . . . 7009 1 1371 . 1 1 141 141 GLY H H 1 8.360 0.000 . . . . . . 503 . . . 7009 1 1372 . 1 1 141 141 GLY HA2 H 1 3.854 0.000 . . . . . . 503 . . . 7009 1 1373 . 1 1 141 141 GLY HA3 H 1 3.906 0.000 . . . . . . 503 . . . 7009 1 1374 . 1 1 141 141 GLY CA C 13 45.378 0.000 . . . . . . 503 . . . 7009 1 1375 . 1 1 141 141 GLY N N 15 108.492 0.000 . . . . . . 503 . . . 7009 1 1376 . 1 1 142 142 ILE H H 1 7.701 0.000 . . . . . . 504 . . . 7009 1 1377 . 1 1 142 142 ILE HA H 1 4.071 0.000 . . . . . . 504 . . . 7009 1 1378 . 1 1 142 142 ILE HB H 1 1.688 0.000 . . . . . . 504 . . . 7009 1 1379 . 1 1 142 142 ILE HG12 H 1 0.994 0.000 . . . . . . 504 . . . 7009 1 1380 . 1 1 142 142 ILE HG13 H 1 1.217 0.000 . . . . . . 504 . . . 7009 1 1381 . 1 1 142 142 ILE HG21 H 1 0.704 0.000 . . . . . . 504 . . . 7009 1 1382 . 1 1 142 142 ILE HG22 H 1 0.704 0.000 . . . . . . 504 . . . 7009 1 1383 . 1 1 142 142 ILE HG23 H 1 0.704 0.000 . . . . . . 504 . . . 7009 1 1384 . 1 1 142 142 ILE HD11 H 1 0.719 0.000 . . . . . . 504 . . . 7009 1 1385 . 1 1 142 142 ILE HD12 H 1 0.719 0.000 . . . . . . 504 . . . 7009 1 1386 . 1 1 142 142 ILE HD13 H 1 0.719 0.000 . . . . . . 504 . . . 7009 1 1387 . 1 1 142 142 ILE CA C 13 61.119 0.000 . . . . . . 504 . . . 7009 1 1388 . 1 1 142 142 ILE CB C 13 38.694 0.000 . . . . . . 504 . . . 7009 1 1389 . 1 1 142 142 ILE CG1 C 13 27.041 0.000 . . . . . . 504 . . . 7009 1 1390 . 1 1 142 142 ILE CG2 C 13 17.329 0.000 . . . . . . 504 . . . 7009 1 1391 . 1 1 142 142 ILE CD1 C 13 12.977 0.000 . . . . . . 504 . . . 7009 1 1392 . 1 1 142 142 ILE N N 15 119.385 0.000 . . . . . . 504 . . . 7009 1 1393 . 1 1 143 143 PHE H H 1 8.206 0.000 . . . . . . 505 . . . 7009 1 1394 . 1 1 143 143 PHE HA H 1 4.674 0.000 . . . . . . 505 . . . 7009 1 1395 . 1 1 143 143 PHE HB2 H 1 2.880 0.001 . . . . . . 505 . . . 7009 1 1396 . 1 1 143 143 PHE HB3 H 1 3.019 0.000 . . . . . . 505 . . . 7009 1 1397 . 1 1 143 143 PHE HD1 H 1 7.150 0.000 . . . . . . 505 . . . 7009 1 1398 . 1 1 143 143 PHE HD2 H 1 7.150 0.000 . . . . . . 505 . . . 7009 1 1399 . 1 1 143 143 PHE CA C 13 57.403 0.000 . . . . . . 505 . . . 7009 1 1400 . 1 1 143 143 PHE CB C 13 39.754 0.000 . . . . . . 505 . . . 7009 1 1401 . 1 1 143 143 PHE N N 15 124.011 0.000 . . . . . . 505 . . . 7009 1 1402 . 1 1 144 144 THR H H 1 7.861 0.000 . . . . . . 506 . . . 7009 1 1403 . 1 1 144 144 THR HA H 1 4.257 0.000 . . . . . . 506 . . . 7009 1 1404 . 1 1 144 144 THR HB H 1 4.060 0.000 . . . . . . 506 . . . 7009 1 1405 . 1 1 144 144 THR HG21 H 1 1.081 0.000 . . . . . . 506 . . . 7009 1 1406 . 1 1 144 144 THR HG22 H 1 1.081 0.000 . . . . . . 506 . . . 7009 1 1407 . 1 1 144 144 THR HG23 H 1 1.081 0.000 . . . . . . 506 . . . 7009 1 1408 . 1 1 144 144 THR CA C 13 61.296 0.000 . . . . . . 506 . . . 7009 1 1409 . 1 1 144 144 THR CB C 13 69.948 0.000 . . . . . . 506 . . . 7009 1 1410 . 1 1 144 144 THR CG2 C 13 21.608 0.000 . . . . . . 506 . . . 7009 1 1411 . 1 1 144 144 THR N N 15 115.915 0.000 . . . . . . 506 . . . 7009 1 1412 . 1 1 145 145 PHE H H 1 8.103 0.000 . . . . . . 507 . . . 7009 1 1413 . 1 1 145 145 PHE HA H 1 4.602 0.000 . . . . . . 507 . . . 7009 1 1414 . 1 1 145 145 PHE HB2 H 1 2.975 0.000 . . . . . . 507 . . . 7009 1 1415 . 1 1 145 145 PHE HB3 H 1 3.129 0.000 . . . . . . 507 . . . 7009 1 1416 . 1 1 145 145 PHE HD1 H 1 7.235 0.000 . . . . . . 507 . . . 7009 1 1417 . 1 1 145 145 PHE HD2 H 1 7.235 0.000 . . . . . . 507 . . . 7009 1 1418 . 1 1 145 145 PHE CA C 13 57.660 0.000 . . . . . . 507 . . . 7009 1 1419 . 1 1 145 145 PHE CB C 13 39.754 0.000 . . . . . . 507 . . . 7009 1 1420 . 1 1 145 145 PHE N N 15 122.373 0.000 . . . . . . 507 . . . 7009 1 1421 . 1 1 146 146 GLU H H 1 8.205 0.000 . . . . . . 508 . . . 7009 1 1422 . 1 1 146 146 GLU N N 15 123.144 0.000 . . . . . . 508 . . . 7009 1 stop_ save_