data_15154 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15154 _Entry.Title ; HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-01 _Entry.Accession_date 2007-03-01 _Entry.Last_release_date 2008-02-11 _Entry.Original_release_date 2008-02-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Steven Runyon . T. . 15154 2 Yingnan Zhang . . . 15154 3 Brent Appleton . A. . 15154 4 Stephen Sazinksy . L. . 15154 5 Ping Wu . . . 15154 6 Borlan Pan . . . 15154 7 Christian Wiesmann . . . 15154 8 Nicholas Skelton . J. . 15154 9 Sachdev Sidhu . S. . 15154 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15154 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Dept. Protein Engineering, Genentech, Inc.' . 15154 1 . 'Dept Medicinal Chemistry, Genentech, Inc.' . 15154 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID beta-sandwich . 15154 cyclically-permuted . 15154 PDZ . 15154 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15154 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 782 15154 '13C chemical shifts' 432 15154 '15N chemical shifts' 105 15154 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-02-11 2007-03-01 original author . 15154 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JOA 'BMRB Entry Tracking System' 15154 stop_ save_ ############### # Citations # ############### save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 15154 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17962403 _Citation.Full_citation . _Citation.Title 'Structural and functional analysis of the PDZ domains of human HtrA1 and HtrA3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 11 _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 2454 _Citation.Page_last 2471 _Citation.Year 2007 _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 Steven Runyon . T. . 15154 1 2 Yingnan Zhang . . . 15154 1 3 Brent Appleton . A. . 15154 1 4 Stephen Sazinksy . L. . 15154 1 5 Ping Wu . . . 15154 1 6 Borlan Pan . . . 15154 1 7 Christian Wiesmann . . . 15154 1 8 Nicholas Skelton . J. . 15154 1 9 Sachdev Sidhu . S. . 15154 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HtrA 15154 1 'PDZ domain' 15154 1 'peptide-binding module' 15154 1 'protein-protein interaction' 15154 1 serine-protease 15154 1 stop_ save_ save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 15154 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'HtrA1 bound to an optimized peptide: NMR assignment of PDZ domain and ligand resonances' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2007 _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 Steven Runyon . T. . 15154 2 2 Borlan Pan . . . 15154 2 3 Nicholas Skelton . J. . 15154 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HtrA 15154 2 'protein-protein interaction' 15154 2 serine-protease 15154 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15154 _Assembly.ID 1 _Assembly.Name 'protein-peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12550 _Assembly.Enzyme_commission_number . _Assembly.Details 'phage-derived peptide bound to the PDZ domain of human HtrA1' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HtrA1-PDZ 1 $HtrA1-PDZ A . yes native no no . 'peptide-binding module' . 15154 1 2 peptide 2 $synthetic_peptide_H1-C1 B . yes native no no . 'peptide ligand' . 15154 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HtrA1-PDZ _Entity.Sf_category entity _Entity.Sf_framecode HtrA1-PDZ _Entity.Entry_ID 15154 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HtrA1-PDZ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKKYIGIRMMSLTSSKA KELKDRHRDFPDVISGAYII EVIPDTPAEAGGLKENDVII SINGQSVVSANDVSDVIKRE STLNMVVRRGNEDIMITVIP EEIDP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 376-379 represent a non-native addition due to the construction' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ domain of human HtrA1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11587.366 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes SWS Q92743 . HTRA1_HUMAN . . . . . . . . . . . . . . 15154 1 2 no PDB 2JOA . "Htra1 Bound To An Optimized Peptide: Nmr Assignment Of Pdz Domain And Ligand Resonances" . . . . . 100.00 105 100.00 100.00 4.10e-67 . . . . 15154 1 3 no PDB 2YTW . "Solution Structure Of The Pdz-Domain Of Human Protease Htra 1 Precursor" . . . . . 96.19 118 100.00 100.00 9.33e-64 . . . . 15154 1 4 no PDB 3NUM . "Substrate Induced Remodeling Of The Active Site Regulates Htra1 Activity" . . . . . 96.19 332 100.00 100.00 3.91e-61 . . . . 15154 1 5 no PDB 3NZI . "Substrate Induced Remodeling Of The Active Site Regulates Htra1 Activity" . . . . . 96.19 334 100.00 100.00 3.86e-61 . . . . 15154 1 6 no DBJ BAA13322 . "serin protease with IGF-binding motif [Homo sapiens]" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 7 no DBJ BAF82778 . "unnamed protein product [Homo sapiens]" . . . . . 96.19 167 100.00 100.00 7.15e-63 . . . . 15154 1 8 no DBJ BAG52446 . "unnamed protein product [Homo sapiens]" . . . . . 96.19 447 100.00 100.00 3.95e-60 . . . . 15154 1 9 no DBJ BAG52557 . "unnamed protein product [Homo sapiens]" . . . . . 96.19 167 100.00 100.00 7.15e-63 . . . . 15154 1 10 no DBJ BAJ20722 . "HtrA serine peptidase 1 [synthetic construct]" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 11 no EMBL CAA69226 . "novel serine protease, PRSS11 [Homo sapiens]" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 12 no EMBL CAI05909 . "protease serine 11 (IGF binding) [Sus scrofa]" . . . . . 96.19 322 97.03 100.00 2.81e-60 . . . . 15154 1 13 no GB AAC95151 . "serine protease [Bos taurus]" . . . . . 96.19 370 97.03 99.01 4.18e-59 . . . . 15154 1 14 no GB AAC97211 . "serine protease [Homo sapiens]" . . . . . 96.19 337 100.00 100.00 5.47e-61 . . . . 15154 1 15 no GB AAD41525 . "HTRA serine protease [Homo sapiens]" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 16 no GB AAH11352 . "HTRA1 protein, partial [Homo sapiens]" . . . . . 96.19 445 100.00 100.00 5.09e-60 . . . . 15154 1 17 no GB AAI56553 . "HtrA serine peptidase 1, partial [synthetic construct]" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 18 no REF NP_001245105 . "serine protease HTRA1 precursor [Macaca mulatta]" . . . . . 96.19 481 100.00 100.00 2.98e-60 . . . . 15154 1 19 no REF NP_001269011 . "serine protease HTRA1 precursor [Bos taurus]" . . . . . 96.19 487 97.03 99.01 1.61e-58 . . . . 15154 1 20 no REF NP_002766 . "serine protease HTRA1 precursor [Homo sapiens]" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 21 no REF XP_002807519 . "PREDICTED: LOW QUALITY PROTEIN: serine protease HTRA1 [Callithrix jacchus]" . . . . . 96.19 484 98.02 100.00 2.66e-59 . . . . 15154 1 22 no REF XP_002821267 . "PREDICTED: serine protease HTRA1 isoform X1 [Pongo abelii]" . . . . . 96.19 522 100.00 100.00 1.70e-58 . . . . 15154 1 23 no SP F1N152 . "RecName: Full=Serine protease HTRA1; AltName: Full=High-temperature requirement A serine peptidase 1; AltName: Full=Serine prot" . . . . . 96.19 487 97.03 99.01 1.61e-58 . . . . 15154 1 24 no SP Q92743 . "RecName: Full=Serine protease HTRA1; AltName: Full=High-temperature requirement A serine peptidase 1; AltName: Full=L56; AltNam" . . . . . 96.19 480 100.00 100.00 3.39e-60 . . . . 15154 1 25 no TPG DAA14692 . "TPA: HtrA serine peptidase 1 [Bos taurus]" . . . . . 96.19 635 97.03 99.01 3.16e-56 . . . . 15154 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein-protein interaction module' 15154 1 serine-protease 15154 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 1 376 GLY . 15154 1 2 377 SER . 15154 1 3 378 HIS . 15154 1 4 379 MET . 15154 1 5 380 LYS . 15154 1 6 381 LYS . 15154 1 7 382 TYR . 15154 1 8 383 ILE . 15154 1 9 384 GLY . 15154 1 10 385 ILE . 15154 1 11 386 ARG . 15154 1 12 387 MET . 15154 1 13 388 MET . 15154 1 14 389 SER . 15154 1 15 390 LEU . 15154 1 16 391 THR . 15154 1 17 392 SER . 15154 1 18 393 SER . 15154 1 19 394 LYS . 15154 1 20 395 ALA . 15154 1 21 396 LYS . 15154 1 22 397 GLU . 15154 1 23 398 LEU . 15154 1 24 399 LYS . 15154 1 25 400 ASP . 15154 1 26 401 ARG . 15154 1 27 402 HIS . 15154 1 28 403 ARG . 15154 1 29 404 ASP . 15154 1 30 405 PHE . 15154 1 31 406 PRO . 15154 1 32 407 ASP . 15154 1 33 408 VAL . 15154 1 34 409 ILE . 15154 1 35 410 SER . 15154 1 36 411 GLY . 15154 1 37 412 ALA . 15154 1 38 413 TYR . 15154 1 39 414 ILE . 15154 1 40 415 ILE . 15154 1 41 416 GLU . 15154 1 42 417 VAL . 15154 1 43 418 ILE . 15154 1 44 419 PRO . 15154 1 45 420 ASP . 15154 1 46 421 THR . 15154 1 47 422 PRO . 15154 1 48 423 ALA . 15154 1 49 424 GLU . 15154 1 50 425 ALA . 15154 1 51 426 GLY . 15154 1 52 427 GLY . 15154 1 53 428 LEU . 15154 1 54 429 LYS . 15154 1 55 430 GLU . 15154 1 56 431 ASN . 15154 1 57 432 ASP . 15154 1 58 433 VAL . 15154 1 59 434 ILE . 15154 1 60 435 ILE . 15154 1 61 436 SER . 15154 1 62 437 ILE . 15154 1 63 438 ASN . 15154 1 64 439 GLY . 15154 1 65 440 GLN . 15154 1 66 441 SER . 15154 1 67 442 VAL . 15154 1 68 443 VAL . 15154 1 69 444 SER . 15154 1 70 445 ALA . 15154 1 71 446 ASN . 15154 1 72 447 ASP . 15154 1 73 448 VAL . 15154 1 74 449 SER . 15154 1 75 450 ASP . 15154 1 76 451 VAL . 15154 1 77 452 ILE . 15154 1 78 453 LYS . 15154 1 79 454 ARG . 15154 1 80 455 GLU . 15154 1 81 456 SER . 15154 1 82 457 THR . 15154 1 83 458 LEU . 15154 1 84 459 ASN . 15154 1 85 460 MET . 15154 1 86 461 VAL . 15154 1 87 462 VAL . 15154 1 88 463 ARG . 15154 1 89 464 ARG . 15154 1 90 465 GLY . 15154 1 91 466 ASN . 15154 1 92 467 GLU . 15154 1 93 468 ASP . 15154 1 94 469 ILE . 15154 1 95 470 MET . 15154 1 96 471 ILE . 15154 1 97 472 THR . 15154 1 98 473 VAL . 15154 1 99 474 ILE . 15154 1 100 475 PRO . 15154 1 101 476 GLU . 15154 1 102 477 GLU . 15154 1 103 478 ILE . 15154 1 104 479 ASP . 15154 1 105 480 PRO . 15154 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 . GLY 1 1 15154 1 . SER 2 2 15154 1 . HIS 3 3 15154 1 . MET 4 4 15154 1 . LYS 5 5 15154 1 . LYS 6 6 15154 1 . TYR 7 7 15154 1 . ILE 8 8 15154 1 . GLY 9 9 15154 1 . ILE 10 10 15154 1 . ARG 11 11 15154 1 . MET 12 12 15154 1 . MET 13 13 15154 1 . SER 14 14 15154 1 . LEU 15 15 15154 1 . THR 16 16 15154 1 . SER 17 17 15154 1 . SER 18 18 15154 1 . LYS 19 19 15154 1 . ALA 20 20 15154 1 . LYS 21 21 15154 1 . GLU 22 22 15154 1 . LEU 23 23 15154 1 . LYS 24 24 15154 1 . ASP 25 25 15154 1 . ARG 26 26 15154 1 . HIS 27 27 15154 1 . ARG 28 28 15154 1 . ASP 29 29 15154 1 . PHE 30 30 15154 1 . PRO 31 31 15154 1 . ASP 32 32 15154 1 . VAL 33 33 15154 1 . ILE 34 34 15154 1 . SER 35 35 15154 1 . GLY 36 36 15154 1 . ALA 37 37 15154 1 . TYR 38 38 15154 1 . ILE 39 39 15154 1 . ILE 40 40 15154 1 . GLU 41 41 15154 1 . VAL 42 42 15154 1 . ILE 43 43 15154 1 . PRO 44 44 15154 1 . ASP 45 45 15154 1 . THR 46 46 15154 1 . PRO 47 47 15154 1 . ALA 48 48 15154 1 . GLU 49 49 15154 1 . ALA 50 50 15154 1 . GLY 51 51 15154 1 . GLY 52 52 15154 1 . LEU 53 53 15154 1 . LYS 54 54 15154 1 . GLU 55 55 15154 1 . ASN 56 56 15154 1 . ASP 57 57 15154 1 . VAL 58 58 15154 1 . ILE 59 59 15154 1 . ILE 60 60 15154 1 . SER 61 61 15154 1 . ILE 62 62 15154 1 . ASN 63 63 15154 1 . GLY 64 64 15154 1 . GLN 65 65 15154 1 . SER 66 66 15154 1 . VAL 67 67 15154 1 . VAL 68 68 15154 1 . SER 69 69 15154 1 . ALA 70 70 15154 1 . ASN 71 71 15154 1 . ASP 72 72 15154 1 . VAL 73 73 15154 1 . SER 74 74 15154 1 . ASP 75 75 15154 1 . VAL 76 76 15154 1 . ILE 77 77 15154 1 . LYS 78 78 15154 1 . ARG 79 79 15154 1 . GLU 80 80 15154 1 . SER 81 81 15154 1 . THR 82 82 15154 1 . LEU 83 83 15154 1 . ASN 84 84 15154 1 . MET 85 85 15154 1 . VAL 86 86 15154 1 . VAL 87 87 15154 1 . ARG 88 88 15154 1 . ARG 89 89 15154 1 . GLY 90 90 15154 1 . ASN 91 91 15154 1 . GLU 92 92 15154 1 . ASP 93 93 15154 1 . ILE 94 94 15154 1 . MET 95 95 15154 1 . ILE 96 96 15154 1 . THR 97 97 15154 1 . VAL 98 98 15154 1 . ILE 99 99 15154 1 . PRO 100 100 15154 1 . GLU 101 101 15154 1 . GLU 102 102 15154 1 . ILE 103 103 15154 1 . ASP 104 104 15154 1 . PRO 105 105 15154 1 stop_ save_ save_synthetic_peptide_H1-C1 _Entity.Sf_category entity _Entity.Sf_framecode synthetic_peptide_H1-C1 _Entity.Entry_ID 15154 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name synthetic_peptide_H1-C1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code DSRIWWV _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'synthetic, N-acylated peptide derived from phage-displayed peptide library' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment H1-C1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 962.093 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'optimal peptide ligand for HtrA1-PDZ' 15154 2 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 . ASP . 15154 2 2 . SER . 15154 2 3 . ARG . 15154 2 4 . ILE . 15154 2 5 . TRP . 15154 2 6 . TRP . 15154 2 7 . VAL . 15154 2 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 . ASP 1 1 15154 2 . SER 2 2 15154 2 . ARG 3 3 15154 2 . ILE 4 4 15154 2 . TRP 5 5 15154 2 . TRP 6 6 15154 2 . VAL 7 7 15154 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 15154 _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 $HtrA1-PDZ . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . HTRA1 . . . . 15154 1 2 2 $synthetic_peptide_H1-C1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15154 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 15154 _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 $HtrA1-PDZ . 'recombinant technology' 'Escherichia coli' . . . . . BL21 . . . . . . . . . . . . . . . pET15b . . . . . . 15154 1 2 2 $synthetic_peptide_H1-C1 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15154 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15154 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM sodium phosphate pH 6.0 + 1mM sodium azide - slight excess of peptide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HtrA1-PDZ [U-15N] . . 1 $HtrA1-PDZ . . 2 . . mM . . . . 15154 1 2 'synthetic peptide H1-C1' 'natural abundance' . . 2 $synthetic_peptide_H1-C1 . . 4 . . mM . . . . 15154 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15154 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15154 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15154 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM sodium phosphate pH 6.0 + 1mM sodium azide - excess peptide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HtrA1-PDZ '[U-13C; U-15N]' . . 1 $HtrA1-PDZ . . 2 . . mM . . . . 15154 2 2 'synthetic peptide H1-C1' 'natural abundance' . . 2 $synthetic_peptide_H1-C1 . . 4 . . mM . . . . 15154 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15154 2 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15154 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15154 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM sodium phosphate pH 6.0 + 1mM sodium azide - excess of peptide' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HtrA1-PDZ '[U-13C; U-15N]' . . 1 $HtrA1-PDZ . . 2 . . mM . . . . 15154 3 2 'synthetic peptide H1-C1' 'natural abundance' . . 2 $synthetic_peptide_H1-C1 . . 4 . . mM . . . . 15154 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15154 3 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15154 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15154 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM sodium phosphate pH 6.0 + 1mM sodium azide -slight excess of peptide; partial carbon label for stereo specific methyl assignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HtrA1-PDZ '[U-10% 13C; U-99% 15N]' . . 1 $HtrA1-PDZ . . 2 . . mM . . . . 15154 4 2 'synthetic peptide H1-C1' 'natural abundance' . . 2 $synthetic_peptide_H1-C1 . . 4 . . mM . . . . 15154 4 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15154 4 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15154 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15154 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM sodium phosphate pH 6.0 + 1mM sodium azide - slight excess of PDZ' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HtrA1-PDZ '[U-13C; U-15N]' . . 1 $HtrA1-PDZ . . 2 . . mM . . . . 15154 5 2 'synthetic peptide H1-C1' 'natural abundance' . . 2 $synthetic_peptide_H1-C1 . . 1.8 . . mM . . . . 15154 5 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15154 5 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15154 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15154 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '25mM sodium phosphate pH 6.0 + 1mM sodium azide - slight excess of PDZ' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HtrA1-PDZ '[U-13C; U-15N]' . . 1 $HtrA1-PDZ . . 2 . . mM . . . . 15154 6 2 'synthetic peptide H1-C1' 'natural abundance' . . 2 $synthetic_peptide_H1-C1 . . 1.8 . . mM . . . . 15154 6 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15154 6 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15154 6 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15154 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'all samples were run under the same conditions.' 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' 0.025 . M 15154 1 pH 6.0 . pH 15154 1 pressure 1 . atm 15154 1 temperature 298 . K 15154 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15154 _Software.ID 1 _Software.Name NMRPipe _Software.Version '2005 for LINUX' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15154 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15154 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.11 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15154 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15154 2 stop_ save_ save_Monte _Software.Sf_category software _Software.Sf_framecode Monte _Software.Entry_ID 15154 _Software.ID 3 _Software.Name MONTE _Software.Version 2.02 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hitchens, T.K., Lukin, J.A., Zhan, Y. and Rule, G.S.' 'Carnegie Mellon University' ; hitchens@andrew.cmu.edu rule@andrew.cmu.edu ; 15154 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15154 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15154 _Software.ID 4 _Software.Name CYANA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15154 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated noe assignment' 15154 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15154 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15154 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15154 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15154 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15154 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedral angle restraints' 15154 6 stop_ save_ save_CNX _Software.Sf_category software _Software.Sf_framecode CNX _Software.Entry_ID 15154 _Software.ID 7 _Software.Name CNX _Software.Version 2002 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15154 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15154 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15154 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance, triple axis actively shielded probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15154 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'triple resonance, triple axis actively shielded probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15154 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 'triple resonance, triple axis actively shielded probe' . . 15154 1 2 spectrometer_2 Bruker DRX . 800 'triple resonance, triple axis actively shielded probe' . . 15154 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 15154 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 3 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15154 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15154 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15154 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15154 1 11 '2D 1H-1H NOESY 13C,15N-filtered in F1' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15154 1 12 '2D 1H-1H TOCSY,13C,15N-filtered in F1' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15154 1 13 '3D 1H-13C NOESY, 13C-filtered in F1' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15154 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15154 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15154 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15154 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15154 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15154 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 15154 1 3 '3D HNCO' . . . 15154 1 4 '3D HNCACB' . . . 15154 1 5 '3D CBCA(CO)NH' . . . 15154 1 6 '3D HN(CO)CA' . . . 15154 1 7 '2D 1H-13C HSQC' . . . 15154 1 10 '3D HCCH-TOCSY' . . . 15154 1 11 '2D 1H-1H NOESY 13C,15N-filtered in F1' . . . 15154 1 12 '2D 1H-1H TOCSY,13C,15N-filtered in F1' . . . 15154 1 13 '3D 1H-13C NOESY, 13C-filtered in F1' . . . 15154 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 4 4 MET HA H 1 4.500 0.014 . 1 1 . . . 379 MET HA . 15154 1 2 . 1 1 4 4 MET HB2 H 1 1.930 0.013 . 1 1 . . . 379 MET HB2 . 15154 1 3 . 1 1 4 4 MET HB3 H 1 1.930 0.013 . 1 1 . . . 379 MET HB3 . 15154 1 4 . 1 1 4 4 MET HG2 H 1 2.394 0.013 . 2 1 . . . 379 MET HG2 . 15154 1 5 . 1 1 4 4 MET HG3 H 1 2.524 0.017 . 2 1 . . . 379 MET HG3 . 15154 1 6 . 1 1 4 4 MET HE1 H 1 1.719 0.011 . 1 1 . . . 379 MET HE . 15154 1 7 . 1 1 4 4 MET HE2 H 1 1.719 0.011 . 1 1 . . . 379 MET HE . 15154 1 8 . 1 1 4 4 MET HE3 H 1 1.719 0.011 . 1 1 . . . 379 MET HE . 15154 1 9 . 1 1 4 4 MET CA C 13 55.502 0.017 . 1 1 . . . 379 MET CA . 15154 1 10 . 1 1 4 4 MET CB C 13 33.446 0.010 . 1 1 . . . 379 MET CB . 15154 1 11 . 1 1 4 4 MET CG C 13 32.231 0.043 . 1 1 . . . 379 MET CG . 15154 1 12 . 1 1 4 4 MET CE C 13 17.761 0.017 . 1 1 . . . 379 MET CE . 15154 1 13 . 1 1 5 5 LYS H H 1 8.172 0.010 . 1 1 . . . 380 LYS H . 15154 1 14 . 1 1 5 5 LYS HA H 1 4.527 0.013 . 1 1 . . . 380 LYS HA . 15154 1 15 . 1 1 5 5 LYS HB2 H 1 1.706 0.012 . 2 1 . . . 380 LYS HB2 . 15154 1 16 . 1 1 5 5 LYS HB3 H 1 1.786 0.010 . 2 1 . . . 380 LYS HB3 . 15154 1 17 . 1 1 5 5 LYS HG2 H 1 1.334 0.012 . 1 1 . . . 380 LYS HG2 . 15154 1 18 . 1 1 5 5 LYS HG3 H 1 1.334 0.012 . 1 1 . . . 380 LYS HG3 . 15154 1 19 . 1 1 5 5 LYS HD2 H 1 1.612 0.013 . 1 1 . . . 380 LYS HD2 . 15154 1 20 . 1 1 5 5 LYS HD3 H 1 1.612 0.013 . 1 1 . . . 380 LYS HD3 . 15154 1 21 . 1 1 5 5 LYS HE2 H 1 2.872 0.015 . 1 1 . . . 380 LYS HE2 . 15154 1 22 . 1 1 5 5 LYS HE3 H 1 2.872 0.015 . 1 1 . . . 380 LYS HE3 . 15154 1 23 . 1 1 5 5 LYS C C 13 175.745 0.010 . 1 1 . . . 380 LYS C . 15154 1 24 . 1 1 5 5 LYS CA C 13 55.446 0.012 . 1 1 . . . 380 LYS CA . 15154 1 25 . 1 1 5 5 LYS CB C 13 34.270 0.048 . 1 1 . . . 380 LYS CB . 15154 1 26 . 1 1 5 5 LYS CG C 13 24.697 0.051 . 1 1 . . . 380 LYS CG . 15154 1 27 . 1 1 5 5 LYS CD C 13 29.378 0.010 . 1 1 . . . 380 LYS CD . 15154 1 28 . 1 1 5 5 LYS CE C 13 41.902 0.010 . 1 1 . . . 380 LYS CE . 15154 1 29 . 1 1 5 5 LYS N N 15 120.269 0.014 . 1 1 . . . 380 LYS N . 15154 1 30 . 1 1 6 6 LYS H H 1 7.979 0.010 . 1 1 . . . 381 LYS H . 15154 1 31 . 1 1 6 6 LYS HA H 1 5.090 0.019 . 1 1 . . . 381 LYS HA . 15154 1 32 . 1 1 6 6 LYS HB2 H 1 1.620 0.085 . 2 1 . . . 381 LYS HB2 . 15154 1 33 . 1 1 6 6 LYS HB3 H 1 1.440 0.016 . 2 1 . . . 381 LYS HB3 . 15154 1 34 . 1 1 6 6 LYS HG2 H 1 1.498 0.012 . 2 1 . . . 381 LYS HG2 . 15154 1 35 . 1 1 6 6 LYS HG3 H 1 1.304 0.019 . 2 1 . . . 381 LYS HG3 . 15154 1 36 . 1 1 6 6 LYS HD2 H 1 1.621 0.010 . 1 1 . . . 381 LYS HD2 . 15154 1 37 . 1 1 6 6 LYS HD3 H 1 1.621 0.010 . 1 1 . . . 381 LYS HD3 . 15154 1 38 . 1 1 6 6 LYS HE2 H 1 2.903 0.022 . 1 1 . . . 381 LYS HE2 . 15154 1 39 . 1 1 6 6 LYS HE3 H 1 2.903 0.022 . 1 1 . . . 381 LYS HE3 . 15154 1 40 . 1 1 6 6 LYS C C 13 176.152 0.010 . 1 1 . . . 381 LYS C . 15154 1 41 . 1 1 6 6 LYS CA C 13 55.012 0.102 . 1 1 . . . 381 LYS CA . 15154 1 42 . 1 1 6 6 LYS CB C 13 35.044 0.063 . 1 1 . . . 381 LYS CB . 15154 1 43 . 1 1 6 6 LYS CG C 13 24.913 0.059 . 1 1 . . . 381 LYS CG . 15154 1 44 . 1 1 6 6 LYS CD C 13 29.261 0.010 . 1 1 . . . 381 LYS CD . 15154 1 45 . 1 1 6 6 LYS CE C 13 40.229 0.010 . 1 1 . . . 381 LYS CE . 15154 1 46 . 1 1 6 6 LYS N N 15 121.106 0.010 . 1 1 . . . 381 LYS N . 15154 1 47 . 1 1 7 7 TYR H H 1 8.960 0.020 . 1 1 . . . 382 TYR H . 15154 1 48 . 1 1 7 7 TYR HA H 1 4.895 0.019 . 1 1 . . . 382 TYR HA . 15154 1 49 . 1 1 7 7 TYR HB2 H 1 2.834 0.016 . 2 1 . . . 382 TYR HB2 . 15154 1 50 . 1 1 7 7 TYR HB3 H 1 2.617 0.017 . 2 1 . . . 382 TYR HB3 . 15154 1 51 . 1 1 7 7 TYR HD1 H 1 6.963 0.016 . 3 1 . . . 382 TYR HD1 . 15154 1 52 . 1 1 7 7 TYR HE1 H 1 6.586 0.013 . 3 1 . . . 382 TYR HE1 . 15154 1 53 . 1 1 7 7 TYR C C 13 174.370 0.010 . 1 1 . . . 382 TYR C . 15154 1 54 . 1 1 7 7 TYR CA C 13 56.624 0.118 . 1 1 . . . 382 TYR CA . 15154 1 55 . 1 1 7 7 TYR CB C 13 43.683 0.024 . 1 1 . . . 382 TYR CB . 15154 1 56 . 1 1 7 7 TYR CD1 C 13 133.264 0.036 . 3 1 . . . 382 TYR CD1 . 15154 1 57 . 1 1 7 7 TYR CE1 C 13 118.631 0.010 . 3 1 . . . 382 TYR CE1 . 15154 1 58 . 1 1 7 7 TYR N N 15 123.286 0.018 . 1 1 . . . 382 TYR N . 15154 1 59 . 1 1 8 8 ILE H H 1 10.712 0.015 . 1 1 . . . 383 ILE H . 15154 1 60 . 1 1 8 8 ILE HA H 1 4.459 0.011 . 1 1 . . . 383 ILE HA . 15154 1 61 . 1 1 8 8 ILE HB H 1 1.513 0.017 . 1 1 . . . 383 ILE HB . 15154 1 62 . 1 1 8 8 ILE HG12 H 1 1.014 0.015 . 2 1 . . . 383 ILE HG12 . 15154 1 63 . 1 1 8 8 ILE HG13 H 1 1.366 0.016 . 2 1 . . . 383 ILE HG13 . 15154 1 64 . 1 1 8 8 ILE HG21 H 1 0.573 0.015 . 1 1 . . . 383 ILE HG2 . 15154 1 65 . 1 1 8 8 ILE HG22 H 1 0.573 0.015 . 1 1 . . . 383 ILE HG2 . 15154 1 66 . 1 1 8 8 ILE HG23 H 1 0.573 0.015 . 1 1 . . . 383 ILE HG2 . 15154 1 67 . 1 1 8 8 ILE HD11 H 1 0.416 0.011 . 1 1 . . . 383 ILE HD1 . 15154 1 68 . 1 1 8 8 ILE HD12 H 1 0.416 0.011 . 1 1 . . . 383 ILE HD1 . 15154 1 69 . 1 1 8 8 ILE HD13 H 1 0.416 0.011 . 1 1 . . . 383 ILE HD1 . 15154 1 70 . 1 1 8 8 ILE C C 13 173.626 0.010 . 1 1 . . . 383 ILE C . 15154 1 71 . 1 1 8 8 ILE CA C 13 61.375 0.010 . 1 1 . . . 383 ILE CA . 15154 1 72 . 1 1 8 8 ILE CB C 13 40.546 0.045 . 1 1 . . . 383 ILE CB . 15154 1 73 . 1 1 8 8 ILE CG1 C 13 25.518 0.047 . 1 1 . . . 383 ILE CG1 . 15154 1 74 . 1 1 8 8 ILE CG2 C 13 18.855 0.067 . 1 1 . . . 383 ILE CG2 . 15154 1 75 . 1 1 8 8 ILE CD1 C 13 13.776 0.011 . 1 1 . . . 383 ILE CD1 . 15154 1 76 . 1 1 8 8 ILE N N 15 119.481 0.065 . 1 1 . . . 383 ILE N . 15154 1 77 . 1 1 9 9 GLY H H 1 9.777 0.020 . 1 1 . . . 384 GLY H . 15154 1 78 . 1 1 9 9 GLY HA2 H 1 3.556 0.012 . 2 1 . . . 384 GLY HA2 . 15154 1 79 . 1 1 9 9 GLY HA3 H 1 4.503 0.017 . 2 1 . . . 384 GLY HA3 . 15154 1 80 . 1 1 9 9 GLY C C 13 173.530 0.010 . 1 1 . . . 384 GLY C . 15154 1 81 . 1 1 9 9 GLY CA C 13 46.409 0.021 . 1 1 . . . 384 GLY CA . 15154 1 82 . 1 1 9 9 GLY N N 15 115.372 0.031 . 1 1 . . . 384 GLY N . 15154 1 83 . 1 1 10 10 ILE H H 1 8.398 0.011 . 1 1 . . . 385 ILE H . 15154 1 84 . 1 1 10 10 ILE HA H 1 5.272 0.015 . 1 1 . . . 385 ILE HA . 15154 1 85 . 1 1 10 10 ILE HB H 1 1.748 0.015 . 1 1 . . . 385 ILE HB . 15154 1 86 . 1 1 10 10 ILE HG12 H 1 0.693 0.010 . 2 1 . . . 385 ILE HG12 . 15154 1 87 . 1 1 10 10 ILE HG13 H 1 1.172 0.016 . 2 1 . . . 385 ILE HG13 . 15154 1 88 . 1 1 10 10 ILE HG21 H 1 0.656 0.015 . 1 1 . . . 385 ILE HG2 . 15154 1 89 . 1 1 10 10 ILE HG22 H 1 0.656 0.015 . 1 1 . . . 385 ILE HG2 . 15154 1 90 . 1 1 10 10 ILE HG23 H 1 0.656 0.015 . 1 1 . . . 385 ILE HG2 . 15154 1 91 . 1 1 10 10 ILE HD11 H 1 0.546 0.013 . 1 1 . . . 385 ILE HD1 . 15154 1 92 . 1 1 10 10 ILE HD12 H 1 0.546 0.013 . 1 1 . . . 385 ILE HD1 . 15154 1 93 . 1 1 10 10 ILE HD13 H 1 0.546 0.013 . 1 1 . . . 385 ILE HD1 . 15154 1 94 . 1 1 10 10 ILE C C 13 174.878 0.010 . 1 1 . . . 385 ILE C . 15154 1 95 . 1 1 10 10 ILE CA C 13 58.799 0.023 . 1 1 . . . 385 ILE CA . 15154 1 96 . 1 1 10 10 ILE CB C 13 41.952 0.088 . 1 1 . . . 385 ILE CB . 15154 1 97 . 1 1 10 10 ILE CG1 C 13 25.560 0.017 . 1 1 . . . 385 ILE CG1 . 15154 1 98 . 1 1 10 10 ILE CG2 C 13 19.361 0.055 . 1 1 . . . 385 ILE CG2 . 15154 1 99 . 1 1 10 10 ILE CD1 C 13 14.280 0.057 . 1 1 . . . 385 ILE CD1 . 15154 1 100 . 1 1 10 10 ILE N N 15 109.946 0.012 . 1 1 . . . 385 ILE N . 15154 1 101 . 1 1 11 11 ARG H H 1 8.331 0.011 . 1 1 . . . 386 ARG H . 15154 1 102 . 1 1 11 11 ARG HA H 1 5.714 0.016 . 1 1 . . . 386 ARG HA . 15154 1 103 . 1 1 11 11 ARG HB2 H 1 1.376 0.016 . 1 1 . . . 386 ARG HB2 . 15154 1 104 . 1 1 11 11 ARG HB3 H 1 1.376 0.016 . 1 1 . . . 386 ARG HB3 . 15154 1 105 . 1 1 11 11 ARG HG2 H 1 1.079 0.018 . 1 1 . . . 386 ARG HG2 . 15154 1 106 . 1 1 11 11 ARG HG3 H 1 1.079 0.018 . 1 1 . . . 386 ARG HG3 . 15154 1 107 . 1 1 11 11 ARG HD2 H 1 2.665 0.018 . 2 1 . . . 386 ARG HD2 . 15154 1 108 . 1 1 11 11 ARG HD3 H 1 2.758 0.016 . 2 1 . . . 386 ARG HD3 . 15154 1 109 . 1 1 11 11 ARG HE H 1 6.811 0.013 . 1 1 . . . 386 ARG HE . 15154 1 110 . 1 1 11 11 ARG C C 13 176.637 0.010 . 1 1 . . . 386 ARG C . 15154 1 111 . 1 1 11 11 ARG CA C 13 54.648 0.056 . 1 1 . . . 386 ARG CA . 15154 1 112 . 1 1 11 11 ARG CB C 13 32.132 0.057 . 1 1 . . . 386 ARG CB . 15154 1 113 . 1 1 11 11 ARG CG C 13 28.752 0.053 . 1 1 . . . 386 ARG CG . 15154 1 114 . 1 1 11 11 ARG CD C 13 42.837 0.021 . 1 1 . . . 386 ARG CD . 15154 1 115 . 1 1 11 11 ARG N N 15 117.512 0.023 . 1 1 . . . 386 ARG N . 15154 1 116 . 1 1 11 11 ARG NE N 15 84.465 0.021 . 1 1 . . . 386 ARG NE . 15154 1 117 . 1 1 12 12 MET H H 1 9.457 0.015 . 1 1 . . . 387 MET H . 15154 1 118 . 1 1 12 12 MET HA H 1 5.739 0.013 . 1 1 . . . 387 MET HA . 15154 1 119 . 1 1 12 12 MET HB2 H 1 1.700 0.014 . 1 1 . . . 387 MET HB2 . 15154 1 120 . 1 1 12 12 MET HB3 H 1 1.700 0.014 . 1 1 . . . 387 MET HB3 . 15154 1 121 . 1 1 12 12 MET HG2 H 1 2.339 0.014 . 2 1 . . . 387 MET HG2 . 15154 1 122 . 1 1 12 12 MET HG3 H 1 2.435 0.015 . 2 1 . . . 387 MET HG3 . 15154 1 123 . 1 1 12 12 MET HE1 H 1 1.701 0.011 . 1 1 . . . 387 MET HE . 15154 1 124 . 1 1 12 12 MET HE2 H 1 1.701 0.011 . 1 1 . . . 387 MET HE . 15154 1 125 . 1 1 12 12 MET HE3 H 1 1.701 0.011 . 1 1 . . . 387 MET HE . 15154 1 126 . 1 1 12 12 MET C C 13 173.059 0.010 . 1 1 . . . 387 MET C . 15154 1 127 . 1 1 12 12 MET CA C 13 53.930 0.059 . 1 1 . . . 387 MET CA . 15154 1 128 . 1 1 12 12 MET CB C 13 36.788 0.023 . 1 1 . . . 387 MET CB . 15154 1 129 . 1 1 12 12 MET CG C 13 32.408 0.037 . 1 1 . . . 387 MET CG . 15154 1 130 . 1 1 12 12 MET CE C 13 20.148 0.012 . 1 1 . . . 387 MET CE . 15154 1 131 . 1 1 12 12 MET N N 15 119.915 0.033 . 1 1 . . . 387 MET N . 15154 1 132 . 1 1 13 13 MET H H 1 9.016 0.018 . 1 1 . . . 388 MET H . 15154 1 133 . 1 1 13 13 MET HA H 1 5.159 0.016 . 1 1 . . . 388 MET HA . 15154 1 134 . 1 1 13 13 MET HB2 H 1 2.231 0.015 . 1 1 . . . 388 MET HB2 . 15154 1 135 . 1 1 13 13 MET HB3 H 1 2.231 0.015 . 1 1 . . . 388 MET HB3 . 15154 1 136 . 1 1 13 13 MET HG2 H 1 2.514 0.010 . 2 1 . . . 388 MET HG2 . 15154 1 137 . 1 1 13 13 MET HG3 H 1 2.686 0.010 . 2 1 . . . 388 MET HG3 . 15154 1 138 . 1 1 13 13 MET HE1 H 1 2.061 0.015 . 1 1 . . . 388 MET HE . 15154 1 139 . 1 1 13 13 MET HE2 H 1 2.061 0.015 . 1 1 . . . 388 MET HE . 15154 1 140 . 1 1 13 13 MET HE3 H 1 2.061 0.015 . 1 1 . . . 388 MET HE . 15154 1 141 . 1 1 13 13 MET C C 13 175.097 0.010 . 1 1 . . . 388 MET C . 15154 1 142 . 1 1 13 13 MET CA C 13 54.513 0.039 . 1 1 . . . 388 MET CA . 15154 1 143 . 1 1 13 13 MET CB C 13 37.749 0.040 . 1 1 . . . 388 MET CB . 15154 1 144 . 1 1 13 13 MET CG C 13 31.042 0.059 . 1 1 . . . 388 MET CG . 15154 1 145 . 1 1 13 13 MET CE C 13 17.075 0.049 . 1 1 . . . 388 MET CE . 15154 1 146 . 1 1 13 13 MET N N 15 116.392 0.015 . 1 1 . . . 388 MET N . 15154 1 147 . 1 1 14 14 SER H H 1 9.834 0.052 . 1 1 . . . 389 SER H . 15154 1 148 . 1 1 14 14 SER HA H 1 4.558 0.017 . 1 1 . . . 389 SER HA . 15154 1 149 . 1 1 14 14 SER HB2 H 1 4.027 0.012 . 2 1 . . . 389 SER HB2 . 15154 1 150 . 1 1 14 14 SER HB3 H 1 4.158 0.011 . 2 1 . . . 389 SER HB3 . 15154 1 151 . 1 1 14 14 SER C C 13 173.721 0.010 . 1 1 . . . 389 SER C . 15154 1 152 . 1 1 14 14 SER CA C 13 59.521 0.016 . 1 1 . . . 389 SER CA . 15154 1 153 . 1 1 14 14 SER CB C 13 63.029 0.013 . 1 1 . . . 389 SER CB . 15154 1 154 . 1 1 14 14 SER N N 15 121.327 0.018 . 1 1 . . . 389 SER N . 15154 1 155 . 1 1 15 15 LEU H H 1 8.694 0.023 . 1 1 . . . 390 LEU H . 15154 1 156 . 1 1 15 15 LEU HA H 1 4.305 0.014 . 1 1 . . . 390 LEU HA . 15154 1 157 . 1 1 15 15 LEU HB2 H 1 1.476 0.015 . 2 1 . . . 390 LEU HB2 . 15154 1 158 . 1 1 15 15 LEU HB3 H 1 1.147 0.016 . 2 1 . . . 390 LEU HB3 . 15154 1 159 . 1 1 15 15 LEU HG H 1 1.508 0.010 . 1 1 . . . 390 LEU HG . 15154 1 160 . 1 1 15 15 LEU HD11 H 1 0.686 0.013 . 1 1 . . . 390 LEU HD1 . 15154 1 161 . 1 1 15 15 LEU HD12 H 1 0.686 0.013 . 1 1 . . . 390 LEU HD1 . 15154 1 162 . 1 1 15 15 LEU HD13 H 1 0.686 0.013 . 1 1 . . . 390 LEU HD1 . 15154 1 163 . 1 1 15 15 LEU HD21 H 1 0.732 0.013 . 1 1 . . . 390 LEU HD2 . 15154 1 164 . 1 1 15 15 LEU HD22 H 1 0.732 0.013 . 1 1 . . . 390 LEU HD2 . 15154 1 165 . 1 1 15 15 LEU HD23 H 1 0.732 0.013 . 1 1 . . . 390 LEU HD2 . 15154 1 166 . 1 1 15 15 LEU C C 13 175.663 0.010 . 1 1 . . . 390 LEU C . 15154 1 167 . 1 1 15 15 LEU CA C 13 54.961 0.044 . 1 1 . . . 390 LEU CA . 15154 1 168 . 1 1 15 15 LEU CB C 13 42.866 0.055 . 1 1 . . . 390 LEU CB . 15154 1 169 . 1 1 15 15 LEU CG C 13 26.759 0.010 . 1 1 . . . 390 LEU CG . 15154 1 170 . 1 1 15 15 LEU CD1 C 13 24.907 0.030 . 1 1 . . . 390 LEU CD1 . 15154 1 171 . 1 1 15 15 LEU CD2 C 13 26.147 0.030 . 1 1 . . . 390 LEU CD2 . 15154 1 172 . 1 1 15 15 LEU N N 15 125.401 0.016 . 1 1 . . . 390 LEU N . 15154 1 173 . 1 1 16 16 THR H H 1 6.907 0.014 . 1 1 . . . 391 THR H . 15154 1 174 . 1 1 16 16 THR HA H 1 4.853 0.012 . 1 1 . . . 391 THR HA . 15154 1 175 . 1 1 16 16 THR HB H 1 4.638 0.011 . 1 1 . . . 391 THR HB . 15154 1 176 . 1 1 16 16 THR HG21 H 1 1.248 0.010 . 1 1 . . . 391 THR HG2 . 15154 1 177 . 1 1 16 16 THR HG22 H 1 1.248 0.010 . 1 1 . . . 391 THR HG2 . 15154 1 178 . 1 1 16 16 THR HG23 H 1 1.248 0.010 . 1 1 . . . 391 THR HG2 . 15154 1 179 . 1 1 16 16 THR C C 13 175.471 0.010 . 1 1 . . . 391 THR C . 15154 1 180 . 1 1 16 16 THR CA C 13 59.536 0.010 . 1 1 . . . 391 THR CA . 15154 1 181 . 1 1 16 16 THR CB C 13 72.022 0.010 . 1 1 . . . 391 THR CB . 15154 1 182 . 1 1 16 16 THR CG2 C 13 21.841 0.010 . 1 1 . . . 391 THR CG2 . 15154 1 183 . 1 1 16 16 THR N N 15 113.878 0.010 . 1 1 . . . 391 THR N . 15154 1 184 . 1 1 17 17 SER H H 1 9.125 0.077 . 1 1 . . . 392 SER H . 15154 1 185 . 1 1 17 17 SER HA H 1 4.164 0.011 . 1 1 . . . 392 SER HA . 15154 1 186 . 1 1 17 17 SER HB2 H 1 3.965 0.010 . 2 1 . . . 392 SER HB2 . 15154 1 187 . 1 1 17 17 SER HB3 H 1 3.993 0.019 . 2 1 . . . 392 SER HB3 . 15154 1 188 . 1 1 17 17 SER C C 13 177.210 0.010 . 1 1 . . . 392 SER C . 15154 1 189 . 1 1 17 17 SER CA C 13 61.627 0.010 . 1 1 . . . 392 SER CA . 15154 1 190 . 1 1 17 17 SER CB C 13 62.423 0.010 . 1 1 . . . 392 SER CB . 15154 1 191 . 1 1 17 17 SER N N 15 116.778 0.037 . 1 1 . . . 392 SER N . 15154 1 192 . 1 1 18 18 SER H H 1 8.365 0.039 . 1 1 . . . 393 SER H . 15154 1 193 . 1 1 18 18 SER HA H 1 4.187 0.011 . 1 1 . . . 393 SER HA . 15154 1 194 . 1 1 18 18 SER HB2 H 1 3.838 0.011 . 1 1 . . . 393 SER HB2 . 15154 1 195 . 1 1 18 18 SER HB3 H 1 3.838 0.011 . 1 1 . . . 393 SER HB3 . 15154 1 196 . 1 1 18 18 SER C C 13 176.919 0.010 . 1 1 . . . 393 SER C . 15154 1 197 . 1 1 18 18 SER CA C 13 61.160 0.010 . 1 1 . . . 393 SER CA . 15154 1 198 . 1 1 18 18 SER CB C 13 62.206 0.010 . 1 1 . . . 393 SER CB . 15154 1 199 . 1 1 18 18 SER N N 15 116.450 0.022 . 1 1 . . . 393 SER N . 15154 1 200 . 1 1 19 19 LYS H H 1 7.664 0.013 . 1 1 . . . 394 LYS H . 15154 1 201 . 1 1 19 19 LYS HA H 1 4.134 0.017 . 1 1 . . . 394 LYS HA . 15154 1 202 . 1 1 19 19 LYS HB2 H 1 1.772 0.018 . 1 1 . . . 394 LYS HB2 . 15154 1 203 . 1 1 19 19 LYS HB3 H 1 1.772 0.018 . 1 1 . . . 394 LYS HB3 . 15154 1 204 . 1 1 19 19 LYS HG2 H 1 1.441 0.010 . 2 1 . . . 394 LYS HG2 . 15154 1 205 . 1 1 19 19 LYS HG3 H 1 1.557 0.010 . 2 1 . . . 394 LYS HG3 . 15154 1 206 . 1 1 19 19 LYS HD2 H 1 1.604 0.010 . 1 1 . . . 394 LYS HD2 . 15154 1 207 . 1 1 19 19 LYS HD3 H 1 1.604 0.010 . 1 1 . . . 394 LYS HD3 . 15154 1 208 . 1 1 19 19 LYS HE2 H 1 3.008 0.019 . 1 1 . . . 394 LYS HE2 . 15154 1 209 . 1 1 19 19 LYS HE3 H 1 3.008 0.019 . 1 1 . . . 394 LYS HE3 . 15154 1 210 . 1 1 19 19 LYS C C 13 177.886 0.010 . 1 1 . . . 394 LYS C . 15154 1 211 . 1 1 19 19 LYS CA C 13 57.006 0.010 . 1 1 . . . 394 LYS CA . 15154 1 212 . 1 1 19 19 LYS CB C 13 32.179 0.015 . 1 1 . . . 394 LYS CB . 15154 1 213 . 1 1 19 19 LYS CG C 13 23.971 0.018 . 1 1 . . . 394 LYS CG . 15154 1 214 . 1 1 19 19 LYS CD C 13 27.516 0.010 . 1 1 . . . 394 LYS CD . 15154 1 215 . 1 1 19 19 LYS CE C 13 41.914 0.010 . 1 1 . . . 394 LYS CE . 15154 1 216 . 1 1 19 19 LYS N N 15 123.984 0.017 . 1 1 . . . 394 LYS N . 15154 1 217 . 1 1 20 20 ALA H H 1 8.472 0.038 . 1 1 . . . 395 ALA H . 15154 1 218 . 1 1 20 20 ALA HA H 1 3.748 0.010 . 1 1 . . . 395 ALA HA . 15154 1 219 . 1 1 20 20 ALA HB1 H 1 1.576 0.012 . 1 1 . . . 395 ALA HB . 15154 1 220 . 1 1 20 20 ALA HB2 H 1 1.576 0.012 . 1 1 . . . 395 ALA HB . 15154 1 221 . 1 1 20 20 ALA HB3 H 1 1.576 0.012 . 1 1 . . . 395 ALA HB . 15154 1 222 . 1 1 20 20 ALA C C 13 179.024 0.010 . 1 1 . . . 395 ALA C . 15154 1 223 . 1 1 20 20 ALA CA C 13 55.205 0.016 . 1 1 . . . 395 ALA CA . 15154 1 224 . 1 1 20 20 ALA CB C 13 18.271 0.010 . 1 1 . . . 395 ALA CB . 15154 1 225 . 1 1 20 20 ALA N N 15 121.121 0.011 . 1 1 . . . 395 ALA N . 15154 1 226 . 1 1 21 21 LYS H H 1 7.573 0.019 . 1 1 . . . 396 LYS H . 15154 1 227 . 1 1 21 21 LYS HA H 1 3.876 0.013 . 1 1 . . . 396 LYS HA . 15154 1 228 . 1 1 21 21 LYS HB2 H 1 1.885 0.015 . 1 1 . . . 396 LYS HB2 . 15154 1 229 . 1 1 21 21 LYS HB3 H 1 1.885 0.015 . 1 1 . . . 396 LYS HB3 . 15154 1 230 . 1 1 21 21 LYS HG2 H 1 1.386 0.013 . 2 1 . . . 396 LYS HG2 . 15154 1 231 . 1 1 21 21 LYS HG3 H 1 1.494 0.012 . 2 1 . . . 396 LYS HG3 . 15154 1 232 . 1 1 21 21 LYS HD2 H 1 1.621 0.013 . 1 1 . . . 396 LYS HD2 . 15154 1 233 . 1 1 21 21 LYS HD3 H 1 1.621 0.013 . 1 1 . . . 396 LYS HD3 . 15154 1 234 . 1 1 21 21 LYS HE2 H 1 2.930 0.016 . 1 1 . . . 396 LYS HE2 . 15154 1 235 . 1 1 21 21 LYS HE3 H 1 2.930 0.016 . 1 1 . . . 396 LYS HE3 . 15154 1 236 . 1 1 21 21 LYS C C 13 178.385 0.010 . 1 1 . . . 396 LYS C . 15154 1 237 . 1 1 21 21 LYS CA C 13 59.331 0.041 . 1 1 . . . 396 LYS CA . 15154 1 238 . 1 1 21 21 LYS CB C 13 32.114 0.020 . 1 1 . . . 396 LYS CB . 15154 1 239 . 1 1 21 21 LYS CG C 13 25.091 0.018 . 1 1 . . . 396 LYS CG . 15154 1 240 . 1 1 21 21 LYS CD C 13 28.874 0.021 . 1 1 . . . 396 LYS CD . 15154 1 241 . 1 1 21 21 LYS CE C 13 42.054 0.024 . 1 1 . . . 396 LYS CE . 15154 1 242 . 1 1 21 21 LYS N N 15 117.472 0.012 . 1 1 . . . 396 LYS N . 15154 1 243 . 1 1 22 22 GLU H H 1 7.356 0.014 . 1 1 . . . 397 GLU H . 15154 1 244 . 1 1 22 22 GLU HA H 1 3.969 0.012 . 1 1 . . . 397 GLU HA . 15154 1 245 . 1 1 22 22 GLU HB2 H 1 2.063 0.014 . 1 1 . . . 397 GLU HB2 . 15154 1 246 . 1 1 22 22 GLU HB3 H 1 2.063 0.014 . 1 1 . . . 397 GLU HB3 . 15154 1 247 . 1 1 22 22 GLU HG2 H 1 2.048 0.013 . 2 1 . . . 397 GLU HG2 . 15154 1 248 . 1 1 22 22 GLU HG3 H 1 2.343 0.012 . 2 1 . . . 397 GLU HG3 . 15154 1 249 . 1 1 22 22 GLU C C 13 179.293 0.010 . 1 1 . . . 397 GLU C . 15154 1 250 . 1 1 22 22 GLU CA C 13 58.775 0.030 . 1 1 . . . 397 GLU CA . 15154 1 251 . 1 1 22 22 GLU CB C 13 29.654 0.010 . 1 1 . . . 397 GLU CB . 15154 1 252 . 1 1 22 22 GLU CG C 13 36.108 0.018 . 1 1 . . . 397 GLU CG . 15154 1 253 . 1 1 22 22 GLU N N 15 119.124 0.012 . 1 1 . . . 397 GLU N . 15154 1 254 . 1 1 23 23 LEU H H 1 7.920 0.028 . 1 1 . . . 398 LEU H . 15154 1 255 . 1 1 23 23 LEU HA H 1 3.773 0.013 . 1 1 . . . 398 LEU HA . 15154 1 256 . 1 1 23 23 LEU HB2 H 1 1.060 0.013 . 2 1 . . . 398 LEU HB2 . 15154 1 257 . 1 1 23 23 LEU HB3 H 1 0.422 0.016 . 2 1 . . . 398 LEU HB3 . 15154 1 258 . 1 1 23 23 LEU HG H 1 1.361 0.016 . 1 1 . . . 398 LEU HG . 15154 1 259 . 1 1 23 23 LEU HD11 H 1 0.087 0.013 . 1 1 . . . 398 LEU HD1 . 15154 1 260 . 1 1 23 23 LEU HD12 H 1 0.087 0.013 . 1 1 . . . 398 LEU HD1 . 15154 1 261 . 1 1 23 23 LEU HD13 H 1 0.087 0.013 . 1 1 . . . 398 LEU HD1 . 15154 1 262 . 1 1 23 23 LEU HD21 H 1 0.609 0.012 . 1 1 . . . 398 LEU HD2 . 15154 1 263 . 1 1 23 23 LEU HD22 H 1 0.609 0.012 . 1 1 . . . 398 LEU HD2 . 15154 1 264 . 1 1 23 23 LEU HD23 H 1 0.609 0.012 . 1 1 . . . 398 LEU HD2 . 15154 1 265 . 1 1 23 23 LEU C C 13 179.033 0.010 . 1 1 . . . 398 LEU C . 15154 1 266 . 1 1 23 23 LEU CA C 13 57.510 0.024 . 1 1 . . . 398 LEU CA . 15154 1 267 . 1 1 23 23 LEU CB C 13 40.735 0.053 . 1 1 . . . 398 LEU CB . 15154 1 268 . 1 1 23 23 LEU CG C 13 26.742 0.050 . 1 1 . . . 398 LEU CG . 15154 1 269 . 1 1 23 23 LEU CD1 C 13 25.664 0.072 . 1 1 . . . 398 LEU CD1 . 15154 1 270 . 1 1 23 23 LEU CD2 C 13 22.567 0.022 . 1 1 . . . 398 LEU CD2 . 15154 1 271 . 1 1 23 23 LEU N N 15 119.704 0.019 . 1 1 . . . 398 LEU N . 15154 1 272 . 1 1 24 24 LYS H H 1 7.984 0.033 . 1 1 . . . 399 LYS H . 15154 1 273 . 1 1 24 24 LYS HA H 1 4.130 0.016 . 1 1 . . . 399 LYS HA . 15154 1 274 . 1 1 24 24 LYS HB2 H 1 1.882 0.015 . 1 1 . . . 399 LYS HB2 . 15154 1 275 . 1 1 24 24 LYS HB3 H 1 1.882 0.015 . 1 1 . . . 399 LYS HB3 . 15154 1 276 . 1 1 24 24 LYS HG2 H 1 1.516 0.010 . 1 1 . . . 399 LYS HG2 . 15154 1 277 . 1 1 24 24 LYS HG3 H 1 1.516 0.010 . 1 1 . . . 399 LYS HG3 . 15154 1 278 . 1 1 24 24 LYS HD2 H 1 1.724 0.010 . 1 1 . . . 399 LYS HD2 . 15154 1 279 . 1 1 24 24 LYS HD3 H 1 1.724 0.010 . 1 1 . . . 399 LYS HD3 . 15154 1 280 . 1 1 24 24 LYS HE2 H 1 3.008 0.010 . 1 1 . . . 399 LYS HE2 . 15154 1 281 . 1 1 24 24 LYS HE3 H 1 3.008 0.010 . 1 1 . . . 399 LYS HE3 . 15154 1 282 . 1 1 24 24 LYS C C 13 177.980 0.010 . 1 1 . . . 399 LYS C . 15154 1 283 . 1 1 24 24 LYS CA C 13 58.077 0.010 . 1 1 . . . 399 LYS CA . 15154 1 284 . 1 1 24 24 LYS CB C 13 32.169 0.026 . 1 1 . . . 399 LYS CB . 15154 1 285 . 1 1 24 24 LYS CG C 13 25.360 0.010 . 1 1 . . . 399 LYS CG . 15154 1 286 . 1 1 24 24 LYS CD C 13 29.684 0.010 . 1 1 . . . 399 LYS CD . 15154 1 287 . 1 1 24 24 LYS CE C 13 42.340 0.010 . 1 1 . . . 399 LYS CE . 15154 1 288 . 1 1 24 24 LYS N N 15 120.921 0.011 . 1 1 . . . 399 LYS N . 15154 1 289 . 1 1 25 25 ASP H H 1 7.689 0.018 . 1 1 . . . 400 ASP H . 15154 1 290 . 1 1 25 25 ASP HA H 1 4.367 0.011 . 1 1 . . . 400 ASP HA . 15154 1 291 . 1 1 25 25 ASP HB2 H 1 2.694 0.012 . 2 1 . . . 400 ASP HB2 . 15154 1 292 . 1 1 25 25 ASP HB3 H 1 2.579 0.010 . 2 1 . . . 400 ASP HB3 . 15154 1 293 . 1 1 25 25 ASP C C 13 177.588 0.010 . 1 1 . . . 400 ASP C . 15154 1 294 . 1 1 25 25 ASP CA C 13 56.144 0.016 . 1 1 . . . 400 ASP CA . 15154 1 295 . 1 1 25 25 ASP CB C 13 40.621 0.010 . 1 1 . . . 400 ASP CB . 15154 1 296 . 1 1 25 25 ASP N N 15 117.666 0.011 . 1 1 . . . 400 ASP N . 15154 1 297 . 1 1 26 26 ARG H H 1 7.290 0.023 . 1 1 . . . 401 ARG H . 15154 1 298 . 1 1 26 26 ARG HA H 1 4.154 0.017 . 1 1 . . . 401 ARG HA . 15154 1 299 . 1 1 26 26 ARG HB2 H 1 1.581 0.013 . 1 1 . . . 401 ARG HB2 . 15154 1 300 . 1 1 26 26 ARG HB3 H 1 1.581 0.013 . 1 1 . . . 401 ARG HB3 . 15154 1 301 . 1 1 26 26 ARG HG2 H 1 1.366 0.013 . 2 1 . . . 401 ARG HG2 . 15154 1 302 . 1 1 26 26 ARG HG3 H 1 1.479 0.012 . 2 1 . . . 401 ARG HG3 . 15154 1 303 . 1 1 26 26 ARG HD2 H 1 3.036 0.015 . 1 1 . . . 401 ARG HD2 . 15154 1 304 . 1 1 26 26 ARG HD3 H 1 3.036 0.015 . 1 1 . . . 401 ARG HD3 . 15154 1 305 . 1 1 26 26 ARG C C 13 176.159 0.010 . 1 1 . . . 401 ARG C . 15154 1 306 . 1 1 26 26 ARG CA C 13 56.670 0.059 . 1 1 . . . 401 ARG CA . 15154 1 307 . 1 1 26 26 ARG CB C 13 31.526 0.046 . 1 1 . . . 401 ARG CB . 15154 1 308 . 1 1 26 26 ARG CG C 13 27.091 0.018 . 1 1 . . . 401 ARG CG . 15154 1 309 . 1 1 26 26 ARG CD C 13 43.285 0.024 . 1 1 . . . 401 ARG CD . 15154 1 310 . 1 1 26 26 ARG N N 15 116.777 0.019 . 1 1 . . . 401 ARG N . 15154 1 311 . 1 1 27 27 HIS H H 1 8.108 0.014 . 1 1 . . . 402 HIS H . 15154 1 312 . 1 1 27 27 HIS HA H 1 4.788 0.019 . 1 1 . . . 402 HIS HA . 15154 1 313 . 1 1 27 27 HIS HB2 H 1 3.181 0.017 . 1 1 . . . 402 HIS HB2 . 15154 1 314 . 1 1 27 27 HIS HB3 H 1 3.181 0.017 . 1 1 . . . 402 HIS HB3 . 15154 1 315 . 1 1 27 27 HIS C C 13 174.634 0.010 . 1 1 . . . 402 HIS C . 15154 1 316 . 1 1 27 27 HIS CA C 13 54.654 0.048 . 1 1 . . . 402 HIS CA . 15154 1 317 . 1 1 27 27 HIS CB C 13 29.883 0.046 . 1 1 . . . 402 HIS CB . 15154 1 318 . 1 1 27 27 HIS CD2 C 13 120.623 0.010 . 1 1 . . . 402 HIS CD2 . 15154 1 319 . 1 1 27 27 HIS N N 15 118.602 0.016 . 1 1 . . . 402 HIS N . 15154 1 320 . 1 1 28 28 ARG H H 1 8.595 0.056 . 1 1 . . . 403 ARG H . 15154 1 321 . 1 1 28 28 ARG HA H 1 4.270 0.012 . 1 1 . . . 403 ARG HA . 15154 1 322 . 1 1 28 28 ARG HB2 H 1 1.825 0.013 . 1 1 . . . 403 ARG HB2 . 15154 1 323 . 1 1 28 28 ARG HB3 H 1 1.825 0.013 . 1 1 . . . 403 ARG HB3 . 15154 1 324 . 1 1 28 28 ARG HG2 H 1 1.653 0.011 . 1 1 . . . 403 ARG HG2 . 15154 1 325 . 1 1 28 28 ARG HG3 H 1 1.653 0.011 . 1 1 . . . 403 ARG HG3 . 15154 1 326 . 1 1 28 28 ARG HD2 H 1 3.188 0.010 . 1 1 . . . 403 ARG HD2 . 15154 1 327 . 1 1 28 28 ARG HD3 H 1 3.188 0.010 . 1 1 . . . 403 ARG HD3 . 15154 1 328 . 1 1 28 28 ARG C C 13 176.534 0.010 . 1 1 . . . 403 ARG C . 15154 1 329 . 1 1 28 28 ARG CA C 13 57.913 0.010 . 1 1 . . . 403 ARG CA . 15154 1 330 . 1 1 28 28 ARG CB C 13 29.944 0.019 . 1 1 . . . 403 ARG CB . 15154 1 331 . 1 1 28 28 ARG CG C 13 26.766 0.015 . 1 1 . . . 403 ARG CG . 15154 1 332 . 1 1 28 28 ARG CD C 13 43.045 0.014 . 1 1 . . . 403 ARG CD . 15154 1 333 . 1 1 28 28 ARG N N 15 122.820 0.028 . 1 1 . . . 403 ARG N . 15154 1 334 . 1 1 29 29 ASP H H 1 8.574 0.030 . 1 1 . . . 404 ASP H . 15154 1 335 . 1 1 29 29 ASP HA H 1 4.593 0.016 . 1 1 . . . 404 ASP HA . 15154 1 336 . 1 1 29 29 ASP HB2 H 1 2.524 0.010 . 2 1 . . . 404 ASP HB2 . 15154 1 337 . 1 1 29 29 ASP HB3 H 1 2.651 0.017 . 2 1 . . . 404 ASP HB3 . 15154 1 338 . 1 1 29 29 ASP C C 13 175.459 0.010 . 1 1 . . . 404 ASP C . 15154 1 339 . 1 1 29 29 ASP CA C 13 53.878 0.010 . 1 1 . . . 404 ASP CA . 15154 1 340 . 1 1 29 29 ASP CB C 13 40.053 0.010 . 1 1 . . . 404 ASP CB . 15154 1 341 . 1 1 29 29 ASP N N 15 117.770 0.012 . 1 1 . . . 404 ASP N . 15154 1 342 . 1 1 30 30 PHE H H 1 7.979 0.032 . 1 1 . . . 405 PHE H . 15154 1 343 . 1 1 30 30 PHE HA H 1 4.530 0.017 . 1 1 . . . 405 PHE HA . 15154 1 344 . 1 1 30 30 PHE HB2 H 1 2.903 0.013 . 2 1 . . . 405 PHE HB2 . 15154 1 345 . 1 1 30 30 PHE HB3 H 1 3.260 0.013 . 2 1 . . . 405 PHE HB3 . 15154 1 346 . 1 1 30 30 PHE HD1 H 1 7.292 0.011 . 3 1 . . . 405 PHE HD1 . 15154 1 347 . 1 1 30 30 PHE HZ H 1 7.138 0.010 . 1 1 . . . 405 PHE HZ . 15154 1 348 . 1 1 30 30 PHE CA C 13 57.379 0.046 . 1 1 . . . 405 PHE CA . 15154 1 349 . 1 1 30 30 PHE CB C 13 40.237 0.053 . 1 1 . . . 405 PHE CB . 15154 1 350 . 1 1 30 30 PHE N N 15 124.037 0.017 . 1 1 . . . 405 PHE N . 15154 1 351 . 1 1 31 31 PRO HA H 1 4.267 0.019 . 1 1 . . . 406 PRO HA . 15154 1 352 . 1 1 31 31 PRO HB2 H 1 1.502 0.011 . 2 1 . . . 406 PRO HB2 . 15154 1 353 . 1 1 31 31 PRO HB3 H 1 2.159 0.017 . 2 1 . . . 406 PRO HB3 . 15154 1 354 . 1 1 31 31 PRO HG2 H 1 1.412 0.015 . 2 1 . . . 406 PRO HG2 . 15154 1 355 . 1 1 31 31 PRO HG3 H 1 1.701 0.015 . 2 1 . . . 406 PRO HG3 . 15154 1 356 . 1 1 31 31 PRO HD2 H 1 1.988 0.010 . 2 1 . . . 406 PRO HD2 . 15154 1 357 . 1 1 31 31 PRO HD3 H 1 3.340 0.012 . 2 1 . . . 406 PRO HD3 . 15154 1 358 . 1 1 31 31 PRO C C 13 175.519 0.010 . 1 1 . . . 406 PRO C . 15154 1 359 . 1 1 31 31 PRO CA C 13 62.762 0.046 . 1 1 . . . 406 PRO CA . 15154 1 360 . 1 1 31 31 PRO CB C 13 32.812 0.042 . 1 1 . . . 406 PRO CB . 15154 1 361 . 1 1 31 31 PRO CG C 13 27.316 0.043 . 1 1 . . . 406 PRO CG . 15154 1 362 . 1 1 31 31 PRO CD C 13 50.178 0.023 . 1 1 . . . 406 PRO CD . 15154 1 363 . 1 1 32 32 ASP H H 1 8.215 0.040 . 1 1 . . . 407 ASP H . 15154 1 364 . 1 1 32 32 ASP HA H 1 4.590 0.014 . 1 1 . . . 407 ASP HA . 15154 1 365 . 1 1 32 32 ASP HB2 H 1 2.532 0.011 . 2 1 . . . 407 ASP HB2 . 15154 1 366 . 1 1 32 32 ASP HB3 H 1 2.659 0.013 . 2 1 . . . 407 ASP HB3 . 15154 1 367 . 1 1 32 32 ASP C C 13 175.863 0.010 . 1 1 . . . 407 ASP C . 15154 1 368 . 1 1 32 32 ASP CA C 13 53.699 0.010 . 1 1 . . . 407 ASP CA . 15154 1 369 . 1 1 32 32 ASP CB C 13 39.944 0.010 . 1 1 . . . 407 ASP CB . 15154 1 370 . 1 1 32 32 ASP N N 15 119.440 0.015 . 1 1 . . . 407 ASP N . 15154 1 371 . 1 1 33 33 VAL H H 1 7.479 0.015 . 1 1 . . . 408 VAL H . 15154 1 372 . 1 1 33 33 VAL HA H 1 4.406 0.014 . 1 1 . . . 408 VAL HA . 15154 1 373 . 1 1 33 33 VAL HB H 1 2.119 0.013 . 1 1 . . . 408 VAL HB . 15154 1 374 . 1 1 33 33 VAL HG11 H 1 0.807 0.012 . 1 1 . . . 408 VAL HG1 . 15154 1 375 . 1 1 33 33 VAL HG12 H 1 0.807 0.012 . 1 1 . . . 408 VAL HG1 . 15154 1 376 . 1 1 33 33 VAL HG13 H 1 0.807 0.012 . 1 1 . . . 408 VAL HG1 . 15154 1 377 . 1 1 33 33 VAL HG21 H 1 0.735 0.014 . 1 1 . . . 408 VAL HG2 . 15154 1 378 . 1 1 33 33 VAL HG22 H 1 0.735 0.014 . 1 1 . . . 408 VAL HG2 . 15154 1 379 . 1 1 33 33 VAL HG23 H 1 0.735 0.014 . 1 1 . . . 408 VAL HG2 . 15154 1 380 . 1 1 33 33 VAL C C 13 175.187 0.010 . 1 1 . . . 408 VAL C . 15154 1 381 . 1 1 33 33 VAL CA C 13 60.058 0.042 . 1 1 . . . 408 VAL CA . 15154 1 382 . 1 1 33 33 VAL CB C 13 34.243 0.061 . 1 1 . . . 408 VAL CB . 15154 1 383 . 1 1 33 33 VAL CG1 C 13 21.890 0.060 . 1 1 . . . 408 VAL CG1 . 15154 1 384 . 1 1 33 33 VAL CG2 C 13 19.699 0.047 . 1 1 . . . 408 VAL CG2 . 15154 1 385 . 1 1 33 33 VAL N N 15 116.803 0.017 . 1 1 . . . 408 VAL N . 15154 1 386 . 1 1 34 34 ILE H H 1 8.209 0.048 . 1 1 . . . 409 ILE H . 15154 1 387 . 1 1 34 34 ILE HA H 1 4.311 0.014 . 1 1 . . . 409 ILE HA . 15154 1 388 . 1 1 34 34 ILE HB H 1 1.941 0.017 . 1 1 . . . 409 ILE HB . 15154 1 389 . 1 1 34 34 ILE HG12 H 1 0.993 0.010 . 2 1 . . . 409 ILE HG12 . 15154 1 390 . 1 1 34 34 ILE HG13 H 1 1.233 0.023 . 2 1 . . . 409 ILE HG13 . 15154 1 391 . 1 1 34 34 ILE HG21 H 1 0.796 0.012 . 1 1 . . . 409 ILE HG2 . 15154 1 392 . 1 1 34 34 ILE HG22 H 1 0.796 0.012 . 1 1 . . . 409 ILE HG2 . 15154 1 393 . 1 1 34 34 ILE HG23 H 1 0.796 0.012 . 1 1 . . . 409 ILE HG2 . 15154 1 394 . 1 1 34 34 ILE HD11 H 1 0.780 0.012 . 1 1 . . . 409 ILE HD1 . 15154 1 395 . 1 1 34 34 ILE HD12 H 1 0.780 0.012 . 1 1 . . . 409 ILE HD1 . 15154 1 396 . 1 1 34 34 ILE HD13 H 1 0.780 0.012 . 1 1 . . . 409 ILE HD1 . 15154 1 397 . 1 1 34 34 ILE C C 13 174.013 0.010 . 1 1 . . . 409 ILE C . 15154 1 398 . 1 1 34 34 ILE CA C 13 60.776 0.028 . 1 1 . . . 409 ILE CA . 15154 1 399 . 1 1 34 34 ILE CB C 13 39.521 0.014 . 1 1 . . . 409 ILE CB . 15154 1 400 . 1 1 34 34 ILE CG1 C 13 26.011 0.038 . 1 1 . . . 409 ILE CG1 . 15154 1 401 . 1 1 34 34 ILE CG2 C 13 17.739 0.027 . 1 1 . . . 409 ILE CG2 . 15154 1 402 . 1 1 34 34 ILE CD1 C 13 14.080 0.032 . 1 1 . . . 409 ILE CD1 . 15154 1 403 . 1 1 34 34 ILE N N 15 116.250 0.018 . 1 1 . . . 409 ILE N . 15154 1 404 . 1 1 35 35 SER H H 1 7.474 0.019 . 1 1 . . . 410 SER H . 15154 1 405 . 1 1 35 35 SER HA H 1 4.725 0.016 . 1 1 . . . 410 SER HA . 15154 1 406 . 1 1 35 35 SER HB2 H 1 3.846 0.011 . 2 1 . . . 410 SER HB2 . 15154 1 407 . 1 1 35 35 SER HB3 H 1 3.885 0.018 . 2 1 . . . 410 SER HB3 . 15154 1 408 . 1 1 35 35 SER C C 13 171.980 0.010 . 1 1 . . . 410 SER C . 15154 1 409 . 1 1 35 35 SER CA C 13 56.817 0.013 . 1 1 . . . 410 SER CA . 15154 1 410 . 1 1 35 35 SER CB C 13 65.383 0.010 . 1 1 . . . 410 SER CB . 15154 1 411 . 1 1 35 35 SER N N 15 115.066 0.010 . 1 1 . . . 410 SER N . 15154 1 412 . 1 1 36 36 GLY H H 1 7.698 0.017 . 1 1 . . . 411 GLY H . 15154 1 413 . 1 1 36 36 GLY HA2 H 1 3.645 0.015 . 2 1 . . . 411 GLY HA2 . 15154 1 414 . 1 1 36 36 GLY HA3 H 1 4.460 0.015 . 2 1 . . . 411 GLY HA3 . 15154 1 415 . 1 1 36 36 GLY C C 13 171.833 0.010 . 1 1 . . . 411 GLY C . 15154 1 416 . 1 1 36 36 GLY CA C 13 43.541 0.012 . 1 1 . . . 411 GLY CA . 15154 1 417 . 1 1 36 36 GLY N N 15 105.880 0.016 . 1 1 . . . 411 GLY N . 15154 1 418 . 1 1 37 37 ALA H H 1 7.877 0.015 . 1 1 . . . 412 ALA H . 15154 1 419 . 1 1 37 37 ALA HA H 1 4.843 0.017 . 1 1 . . . 412 ALA HA . 15154 1 420 . 1 1 37 37 ALA HB1 H 1 1.020 0.013 . 1 1 . . . 412 ALA HB . 15154 1 421 . 1 1 37 37 ALA HB2 H 1 1.020 0.013 . 1 1 . . . 412 ALA HB . 15154 1 422 . 1 1 37 37 ALA HB3 H 1 1.020 0.013 . 1 1 . . . 412 ALA HB . 15154 1 423 . 1 1 37 37 ALA C C 13 174.712 0.010 . 1 1 . . . 412 ALA C . 15154 1 424 . 1 1 37 37 ALA CA C 13 50.099 0.050 . 1 1 . . . 412 ALA CA . 15154 1 425 . 1 1 37 37 ALA CB C 13 21.412 0.010 . 1 1 . . . 412 ALA CB . 15154 1 426 . 1 1 37 37 ALA N N 15 120.947 0.013 . 1 1 . . . 412 ALA N . 15154 1 427 . 1 1 38 38 TYR H H 1 9.167 0.017 . 1 1 . . . 413 TYR H . 15154 1 428 . 1 1 38 38 TYR HA H 1 4.872 0.018 . 1 1 . . . 413 TYR HA . 15154 1 429 . 1 1 38 38 TYR HB2 H 1 2.616 0.010 . 2 1 . . . 413 TYR HB2 . 15154 1 430 . 1 1 38 38 TYR HB3 H 1 2.816 0.014 . 2 1 . . . 413 TYR HB3 . 15154 1 431 . 1 1 38 38 TYR HD1 H 1 6.792 0.016 . 3 1 . . . 413 TYR HD1 . 15154 1 432 . 1 1 38 38 TYR HE1 H 1 7.151 0.012 . 3 1 . . . 413 TYR HE1 . 15154 1 433 . 1 1 38 38 TYR C C 13 174.393 0.010 . 1 1 . . . 413 TYR C . 15154 1 434 . 1 1 38 38 TYR CA C 13 56.683 0.041 . 1 1 . . . 413 TYR CA . 15154 1 435 . 1 1 38 38 TYR CB C 13 40.906 0.014 . 1 1 . . . 413 TYR CB . 15154 1 436 . 1 1 38 38 TYR N N 15 125.924 0.013 . 1 1 . . . 413 TYR N . 15154 1 437 . 1 1 39 39 ILE H H 1 8.443 0.018 . 1 1 . . . 414 ILE H . 15154 1 438 . 1 1 39 39 ILE HA H 1 3.768 0.015 . 1 1 . . . 414 ILE HA . 15154 1 439 . 1 1 39 39 ILE HB H 1 1.910 0.019 . 1 1 . . . 414 ILE HB . 15154 1 440 . 1 1 39 39 ILE HG12 H 1 0.681 0.013 . 2 1 . . . 414 ILE HG12 . 15154 1 441 . 1 1 39 39 ILE HG13 H 1 1.572 0.015 . 2 1 . . . 414 ILE HG13 . 15154 1 442 . 1 1 39 39 ILE HG21 H 1 0.488 0.011 . 1 1 . . . 414 ILE HG2 . 15154 1 443 . 1 1 39 39 ILE HG22 H 1 0.488 0.011 . 1 1 . . . 414 ILE HG2 . 15154 1 444 . 1 1 39 39 ILE HG23 H 1 0.488 0.011 . 1 1 . . . 414 ILE HG2 . 15154 1 445 . 1 1 39 39 ILE HD11 H 1 0.725 0.015 . 1 1 . . . 414 ILE HD1 . 15154 1 446 . 1 1 39 39 ILE HD12 H 1 0.725 0.015 . 1 1 . . . 414 ILE HD1 . 15154 1 447 . 1 1 39 39 ILE HD13 H 1 0.725 0.015 . 1 1 . . . 414 ILE HD1 . 15154 1 448 . 1 1 39 39 ILE C C 13 173.786 0.010 . 1 1 . . . 414 ILE C . 15154 1 449 . 1 1 39 39 ILE CA C 13 62.710 0.019 . 1 1 . . . 414 ILE CA . 15154 1 450 . 1 1 39 39 ILE CB C 13 36.483 0.026 . 1 1 . . . 414 ILE CB . 15154 1 451 . 1 1 39 39 ILE CG1 C 13 27.105 0.050 . 1 1 . . . 414 ILE CG1 . 15154 1 452 . 1 1 39 39 ILE CG2 C 13 18.360 0.011 . 1 1 . . . 414 ILE CG2 . 15154 1 453 . 1 1 39 39 ILE CD1 C 13 14.382 0.013 . 1 1 . . . 414 ILE CD1 . 15154 1 454 . 1 1 39 39 ILE N N 15 126.944 0.017 . 1 1 . . . 414 ILE N . 15154 1 455 . 1 1 40 40 ILE H H 1 8.462 0.012 . 1 1 . . . 415 ILE H . 15154 1 456 . 1 1 40 40 ILE HA H 1 3.867 0.012 . 1 1 . . . 415 ILE HA . 15154 1 457 . 1 1 40 40 ILE HB H 1 1.368 0.012 . 1 1 . . . 415 ILE HB . 15154 1 458 . 1 1 40 40 ILE HG12 H 1 1.018 0.011 . 2 1 . . . 415 ILE HG12 . 15154 1 459 . 1 1 40 40 ILE HG13 H 1 1.455 0.012 . 2 1 . . . 415 ILE HG13 . 15154 1 460 . 1 1 40 40 ILE HG21 H 1 0.843 0.011 . 1 1 . . . 415 ILE HG2 . 15154 1 461 . 1 1 40 40 ILE HG22 H 1 0.843 0.011 . 1 1 . . . 415 ILE HG2 . 15154 1 462 . 1 1 40 40 ILE HG23 H 1 0.843 0.011 . 1 1 . . . 415 ILE HG2 . 15154 1 463 . 1 1 40 40 ILE HD11 H 1 0.835 0.014 . 1 1 . . . 415 ILE HD1 . 15154 1 464 . 1 1 40 40 ILE HD12 H 1 0.835 0.014 . 1 1 . . . 415 ILE HD1 . 15154 1 465 . 1 1 40 40 ILE HD13 H 1 0.835 0.014 . 1 1 . . . 415 ILE HD1 . 15154 1 466 . 1 1 40 40 ILE C C 13 178.633 0.010 . 1 1 . . . 415 ILE C . 15154 1 467 . 1 1 40 40 ILE CA C 13 62.032 0.022 . 1 1 . . . 415 ILE CA . 15154 1 468 . 1 1 40 40 ILE CB C 13 39.941 0.010 . 1 1 . . . 415 ILE CB . 15154 1 469 . 1 1 40 40 ILE CG1 C 13 28.247 0.076 . 1 1 . . . 415 ILE CG1 . 15154 1 470 . 1 1 40 40 ILE CG2 C 13 17.351 0.014 . 1 1 . . . 415 ILE CG2 . 15154 1 471 . 1 1 40 40 ILE CD1 C 13 14.912 0.059 . 1 1 . . . 415 ILE CD1 . 15154 1 472 . 1 1 40 40 ILE N N 15 128.259 0.018 . 1 1 . . . 415 ILE N . 15154 1 473 . 1 1 41 41 GLU H H 1 7.479 0.017 . 1 1 . . . 416 GLU H . 15154 1 474 . 1 1 41 41 GLU HA H 1 4.352 0.016 . 1 1 . . . 416 GLU HA . 15154 1 475 . 1 1 41 41 GLU HB2 H 1 1.858 0.016 . 2 1 . . . 416 GLU HB2 . 15154 1 476 . 1 1 41 41 GLU HB3 H 1 1.554 0.014 . 2 1 . . . 416 GLU HB3 . 15154 1 477 . 1 1 41 41 GLU HG2 H 1 1.774 0.015 . 2 1 . . . 416 GLU HG2 . 15154 1 478 . 1 1 41 41 GLU HG3 H 1 2.219 0.019 . 2 1 . . . 416 GLU HG3 . 15154 1 479 . 1 1 41 41 GLU C C 13 173.562 0.010 . 1 1 . . . 416 GLU C . 15154 1 480 . 1 1 41 41 GLU CA C 13 55.717 0.075 . 1 1 . . . 416 GLU CA . 15154 1 481 . 1 1 41 41 GLU CB C 13 34.587 0.035 . 1 1 . . . 416 GLU CB . 15154 1 482 . 1 1 41 41 GLU CG C 13 35.830 0.044 . 1 1 . . . 416 GLU CG . 15154 1 483 . 1 1 41 41 GLU N N 15 117.727 0.026 . 1 1 . . . 416 GLU N . 15154 1 484 . 1 1 42 42 VAL H H 1 8.803 0.035 . 1 1 . . . 417 VAL H . 15154 1 485 . 1 1 42 42 VAL HA H 1 4.169 0.014 . 1 1 . . . 417 VAL HA . 15154 1 486 . 1 1 42 42 VAL HB H 1 1.783 0.014 . 1 1 . . . 417 VAL HB . 15154 1 487 . 1 1 42 42 VAL HG11 H 1 0.570 0.013 . 1 1 . . . 417 VAL HG1 . 15154 1 488 . 1 1 42 42 VAL HG12 H 1 0.570 0.013 . 1 1 . . . 417 VAL HG1 . 15154 1 489 . 1 1 42 42 VAL HG13 H 1 0.570 0.013 . 1 1 . . . 417 VAL HG1 . 15154 1 490 . 1 1 42 42 VAL HG21 H 1 0.460 0.014 . 1 1 . . . 417 VAL HG2 . 15154 1 491 . 1 1 42 42 VAL HG22 H 1 0.460 0.014 . 1 1 . . . 417 VAL HG2 . 15154 1 492 . 1 1 42 42 VAL HG23 H 1 0.460 0.014 . 1 1 . . . 417 VAL HG2 . 15154 1 493 . 1 1 42 42 VAL C C 13 175.428 0.010 . 1 1 . . . 417 VAL C . 15154 1 494 . 1 1 42 42 VAL CA C 13 61.600 0.068 . 1 1 . . . 417 VAL CA . 15154 1 495 . 1 1 42 42 VAL CB C 13 32.635 0.012 . 1 1 . . . 417 VAL CB . 15154 1 496 . 1 1 42 42 VAL CG1 C 13 20.178 0.038 . 1 1 . . . 417 VAL CG1 . 15154 1 497 . 1 1 42 42 VAL CG2 C 13 21.195 0.026 . 1 1 . . . 417 VAL CG2 . 15154 1 498 . 1 1 42 42 VAL N N 15 126.868 0.018 . 1 1 . . . 417 VAL N . 15154 1 499 . 1 1 43 43 ILE H H 1 8.509 0.029 . 1 1 . . . 418 ILE H . 15154 1 500 . 1 1 43 43 ILE HA H 1 4.171 0.013 . 1 1 . . . 418 ILE HA . 15154 1 501 . 1 1 43 43 ILE HB H 1 1.909 0.012 . 1 1 . . . 418 ILE HB . 15154 1 502 . 1 1 43 43 ILE HG12 H 1 1.104 0.019 . 2 1 . . . 418 ILE HG12 . 15154 1 503 . 1 1 43 43 ILE HG13 H 1 1.314 0.015 . 2 1 . . . 418 ILE HG13 . 15154 1 504 . 1 1 43 43 ILE HG21 H 1 1.113 0.014 . 1 1 . . . 418 ILE HG2 . 15154 1 505 . 1 1 43 43 ILE HG22 H 1 1.113 0.014 . 1 1 . . . 418 ILE HG2 . 15154 1 506 . 1 1 43 43 ILE HG23 H 1 1.113 0.014 . 1 1 . . . 418 ILE HG2 . 15154 1 507 . 1 1 43 43 ILE HD11 H 1 0.552 0.014 . 1 1 . . . 418 ILE HD1 . 15154 1 508 . 1 1 43 43 ILE HD12 H 1 0.552 0.014 . 1 1 . . . 418 ILE HD1 . 15154 1 509 . 1 1 43 43 ILE HD13 H 1 0.552 0.014 . 1 1 . . . 418 ILE HD1 . 15154 1 510 . 1 1 43 43 ILE CA C 13 58.991 0.033 . 1 1 . . . 418 ILE CA . 15154 1 511 . 1 1 43 43 ILE CB C 13 37.744 0.010 . 1 1 . . . 418 ILE CB . 15154 1 512 . 1 1 43 43 ILE CG1 C 13 28.910 0.050 . 1 1 . . . 418 ILE CG1 . 15154 1 513 . 1 1 43 43 ILE CG2 C 13 16.679 0.034 . 1 1 . . . 418 ILE CG2 . 15154 1 514 . 1 1 43 43 ILE CD1 C 13 12.251 0.023 . 1 1 . . . 418 ILE CD1 . 15154 1 515 . 1 1 43 43 ILE N N 15 133.101 0.012 . 1 1 . . . 418 ILE N . 15154 1 516 . 1 1 44 44 PRO HA H 1 4.301 0.012 . 1 1 . . . 419 PRO HA . 15154 1 517 . 1 1 44 44 PRO HB2 H 1 1.776 0.013 . 2 1 . . . 419 PRO HB2 . 15154 1 518 . 1 1 44 44 PRO HB3 H 1 2.330 0.012 . 2 1 . . . 419 PRO HB3 . 15154 1 519 . 1 1 44 44 PRO HG2 H 1 1.905 0.017 . 2 1 . . . 419 PRO HG2 . 15154 1 520 . 1 1 44 44 PRO HG3 H 1 2.020 0.011 . 2 1 . . . 419 PRO HG3 . 15154 1 521 . 1 1 44 44 PRO HD2 H 1 3.571 0.011 . 2 1 . . . 419 PRO HD2 . 15154 1 522 . 1 1 44 44 PRO HD3 H 1 3.991 0.011 . 2 1 . . . 419 PRO HD3 . 15154 1 523 . 1 1 44 44 PRO C C 13 177.016 0.010 . 1 1 . . . 419 PRO C . 15154 1 524 . 1 1 44 44 PRO CA C 13 63.425 0.046 . 1 1 . . . 419 PRO CA . 15154 1 525 . 1 1 44 44 PRO CB C 13 32.375 0.049 . 1 1 . . . 419 PRO CB . 15154 1 526 . 1 1 44 44 PRO CG C 13 27.845 0.032 . 1 1 . . . 419 PRO CG . 15154 1 527 . 1 1 44 44 PRO CD C 13 51.303 0.053 . 1 1 . . . 419 PRO CD . 15154 1 528 . 1 1 45 45 ASP H H 1 9.183 0.014 . 1 1 . . . 420 ASP H . 15154 1 529 . 1 1 45 45 ASP HA H 1 4.340 0.019 . 1 1 . . . 420 ASP HA . 15154 1 530 . 1 1 45 45 ASP HB2 H 1 2.767 0.011 . 2 1 . . . 420 ASP HB2 . 15154 1 531 . 1 1 45 45 ASP HB3 H 1 3.000 0.018 . 2 1 . . . 420 ASP HB3 . 15154 1 532 . 1 1 45 45 ASP C C 13 175.515 0.010 . 1 1 . . . 420 ASP C . 15154 1 533 . 1 1 45 45 ASP CA C 13 55.413 0.013 . 1 1 . . . 420 ASP CA . 15154 1 534 . 1 1 45 45 ASP CB C 13 38.877 0.012 . 1 1 . . . 420 ASP CB . 15154 1 535 . 1 1 45 45 ASP N N 15 116.558 0.018 . 1 1 . . . 420 ASP N . 15154 1 536 . 1 1 46 46 THR H H 1 7.014 0.011 . 1 1 . . . 421 THR H . 15154 1 537 . 1 1 46 46 THR HA H 1 4.901 0.014 . 1 1 . . . 421 THR HA . 15154 1 538 . 1 1 46 46 THR HB H 1 4.690 0.015 . 1 1 . . . 421 THR HB . 15154 1 539 . 1 1 46 46 THR HG21 H 1 1.360 0.012 . 1 1 . . . 421 THR HG2 . 15154 1 540 . 1 1 46 46 THR HG22 H 1 1.360 0.012 . 1 1 . . . 421 THR HG2 . 15154 1 541 . 1 1 46 46 THR HG23 H 1 1.360 0.012 . 1 1 . . . 421 THR HG2 . 15154 1 542 . 1 1 46 46 THR CA C 13 59.585 0.011 . 1 1 . . . 421 THR CA . 15154 1 543 . 1 1 46 46 THR CB C 13 69.799 0.028 . 1 1 . . . 421 THR CB . 15154 1 544 . 1 1 46 46 THR CG2 C 13 21.765 0.016 . 1 1 . . . 421 THR CG2 . 15154 1 545 . 1 1 46 46 THR N N 15 106.005 0.010 . 1 1 . . . 421 THR N . 15154 1 546 . 1 1 47 47 PRO HA H 1 4.317 0.014 . 1 1 . . . 422 PRO HA . 15154 1 547 . 1 1 47 47 PRO HB2 H 1 1.628 0.012 . 2 1 . . . 422 PRO HB2 . 15154 1 548 . 1 1 47 47 PRO HB3 H 1 2.820 0.016 . 2 1 . . . 422 PRO HB3 . 15154 1 549 . 1 1 47 47 PRO HG2 H 1 2.083 0.013 . 2 1 . . . 422 PRO HG2 . 15154 1 550 . 1 1 47 47 PRO HG3 H 1 2.307 0.016 . 2 1 . . . 422 PRO HG3 . 15154 1 551 . 1 1 47 47 PRO HD2 H 1 3.482 0.014 . 2 1 . . . 422 PRO HD2 . 15154 1 552 . 1 1 47 47 PRO HD3 H 1 3.925 0.010 . 2 1 . . . 422 PRO HD3 . 15154 1 553 . 1 1 47 47 PRO C C 13 180.095 0.010 . 1 1 . . . 422 PRO C . 15154 1 554 . 1 1 47 47 PRO CA C 13 65.366 0.058 . 1 1 . . . 422 PRO CA . 15154 1 555 . 1 1 47 47 PRO CB C 13 33.157 0.026 . 1 1 . . . 422 PRO CB . 15154 1 556 . 1 1 47 47 PRO CG C 13 28.803 0.022 . 1 1 . . . 422 PRO CG . 15154 1 557 . 1 1 47 47 PRO CD C 13 50.541 0.010 . 1 1 . . . 422 PRO CD . 15154 1 558 . 1 1 48 48 ALA H H 1 8.996 0.053 . 1 1 . . . 423 ALA H . 15154 1 559 . 1 1 48 48 ALA HA H 1 3.749 0.012 . 1 1 . . . 423 ALA HA . 15154 1 560 . 1 1 48 48 ALA HB1 H 1 1.095 0.013 . 1 1 . . . 423 ALA HB . 15154 1 561 . 1 1 48 48 ALA HB2 H 1 1.095 0.013 . 1 1 . . . 423 ALA HB . 15154 1 562 . 1 1 48 48 ALA HB3 H 1 1.095 0.013 . 1 1 . . . 423 ALA HB . 15154 1 563 . 1 1 48 48 ALA C C 13 178.184 0.010 . 1 1 . . . 423 ALA C . 15154 1 564 . 1 1 48 48 ALA CA C 13 54.971 0.010 . 1 1 . . . 423 ALA CA . 15154 1 565 . 1 1 48 48 ALA CB C 13 21.189 0.010 . 1 1 . . . 423 ALA CB . 15154 1 566 . 1 1 48 48 ALA N N 15 119.444 0.018 . 1 1 . . . 423 ALA N . 15154 1 567 . 1 1 49 49 GLU H H 1 7.543 0.011 . 1 1 . . . 424 GLU H . 15154 1 568 . 1 1 49 49 GLU HA H 1 3.833 0.012 . 1 1 . . . 424 GLU HA . 15154 1 569 . 1 1 49 49 GLU HB2 H 1 2.087 0.018 . 2 1 . . . 424 GLU HB2 . 15154 1 570 . 1 1 49 49 GLU HB3 H 1 2.260 0.016 . 2 1 . . . 424 GLU HB3 . 15154 1 571 . 1 1 49 49 GLU HG2 H 1 2.206 0.012 . 1 1 . . . 424 GLU HG2 . 15154 1 572 . 1 1 49 49 GLU HG3 H 1 2.206 0.012 . 1 1 . . . 424 GLU HG3 . 15154 1 573 . 1 1 49 49 GLU C C 13 180.631 0.010 . 1 1 . . . 424 GLU C . 15154 1 574 . 1 1 49 49 GLU CA C 13 59.308 0.053 . 1 1 . . . 424 GLU CA . 15154 1 575 . 1 1 49 49 GLU CB C 13 29.523 0.014 . 1 1 . . . 424 GLU CB . 15154 1 576 . 1 1 49 49 GLU CG C 13 37.268 0.010 . 1 1 . . . 424 GLU CG . 15154 1 577 . 1 1 49 49 GLU N N 15 119.531 0.012 . 1 1 . . . 424 GLU N . 15154 1 578 . 1 1 50 50 ALA H H 1 8.489 0.033 . 1 1 . . . 425 ALA H . 15154 1 579 . 1 1 50 50 ALA HA H 1 4.072 0.012 . 1 1 . . . 425 ALA HA . 15154 1 580 . 1 1 50 50 ALA HB1 H 1 1.472 0.011 . 1 1 . . . 425 ALA HB . 15154 1 581 . 1 1 50 50 ALA HB2 H 1 1.472 0.011 . 1 1 . . . 425 ALA HB . 15154 1 582 . 1 1 50 50 ALA HB3 H 1 1.472 0.011 . 1 1 . . . 425 ALA HB . 15154 1 583 . 1 1 50 50 ALA C C 13 180.364 0.010 . 1 1 . . . 425 ALA C . 15154 1 584 . 1 1 50 50 ALA CA C 13 54.836 0.012 . 1 1 . . . 425 ALA CA . 15154 1 585 . 1 1 50 50 ALA CB C 13 17.966 0.010 . 1 1 . . . 425 ALA CB . 15154 1 586 . 1 1 50 50 ALA N N 15 123.043 0.011 . 1 1 . . . 425 ALA N . 15154 1 587 . 1 1 51 51 GLY H H 1 8.242 0.018 . 1 1 . . . 426 GLY H . 15154 1 588 . 1 1 51 51 GLY HA2 H 1 3.616 0.010 . 2 1 . . . 426 GLY HA2 . 15154 1 589 . 1 1 51 51 GLY HA3 H 1 4.194 0.017 . 2 1 . . . 426 GLY HA3 . 15154 1 590 . 1 1 51 51 GLY C C 13 174.012 0.010 . 1 1 . . . 426 GLY C . 15154 1 591 . 1 1 51 51 GLY CA C 13 45.671 0.010 . 1 1 . . . 426 GLY CA . 15154 1 592 . 1 1 51 51 GLY N N 15 102.576 0.039 . 1 1 . . . 426 GLY N . 15154 1 593 . 1 1 52 52 GLY H H 1 7.407 0.015 . 1 1 . . . 427 GLY H . 15154 1 594 . 1 1 52 52 GLY HA2 H 1 3.750 0.015 . 2 1 . . . 427 GLY HA2 . 15154 1 595 . 1 1 52 52 GLY HA3 H 1 4.390 0.010 . 2 1 . . . 427 GLY HA3 . 15154 1 596 . 1 1 52 52 GLY C C 13 175.988 0.010 . 1 1 . . . 427 GLY C . 15154 1 597 . 1 1 52 52 GLY CA C 13 44.930 0.010 . 1 1 . . . 427 GLY CA . 15154 1 598 . 1 1 52 52 GLY N N 15 104.002 0.019 . 1 1 . . . 427 GLY N . 15154 1 599 . 1 1 53 53 LEU H H 1 7.445 0.015 . 1 1 . . . 428 LEU H . 15154 1 600 . 1 1 53 53 LEU HA H 1 3.946 0.016 . 1 1 . . . 428 LEU HA . 15154 1 601 . 1 1 53 53 LEU HB2 H 1 1.404 0.016 . 2 1 . . . 428 LEU HB2 . 15154 1 602 . 1 1 53 53 LEU HB3 H 1 1.025 0.016 . 2 1 . . . 428 LEU HB3 . 15154 1 603 . 1 1 53 53 LEU HG H 1 1.462 0.010 . 1 1 . . . 428 LEU HG . 15154 1 604 . 1 1 53 53 LEU HD11 H 1 0.679 0.016 . 1 1 . . . 428 LEU HD1 . 15154 1 605 . 1 1 53 53 LEU HD12 H 1 0.679 0.016 . 1 1 . . . 428 LEU HD1 . 15154 1 606 . 1 1 53 53 LEU HD13 H 1 0.679 0.016 . 1 1 . . . 428 LEU HD1 . 15154 1 607 . 1 1 53 53 LEU HD21 H 1 0.767 0.013 . 1 1 . . . 428 LEU HD2 . 15154 1 608 . 1 1 53 53 LEU HD22 H 1 0.767 0.013 . 1 1 . . . 428 LEU HD2 . 15154 1 609 . 1 1 53 53 LEU HD23 H 1 0.767 0.013 . 1 1 . . . 428 LEU HD2 . 15154 1 610 . 1 1 53 53 LEU C C 13 174.991 0.010 . 1 1 . . . 428 LEU C . 15154 1 611 . 1 1 53 53 LEU CA C 13 55.638 0.017 . 1 1 . . . 428 LEU CA . 15154 1 612 . 1 1 53 53 LEU CB C 13 42.830 0.013 . 1 1 . . . 428 LEU CB . 15154 1 613 . 1 1 53 53 LEU CG C 13 26.858 0.010 . 1 1 . . . 428 LEU CG . 15154 1 614 . 1 1 53 53 LEU CD1 C 13 25.306 0.084 . 1 1 . . . 428 LEU CD1 . 15154 1 615 . 1 1 53 53 LEU CD2 C 13 23.906 0.015 . 1 1 . . . 428 LEU CD2 . 15154 1 616 . 1 1 53 53 LEU N N 15 120.068 0.021 . 1 1 . . . 428 LEU N . 15154 1 617 . 1 1 54 54 LYS H H 1 8.538 0.015 . 1 1 . . . 429 LYS H . 15154 1 618 . 1 1 54 54 LYS HA H 1 4.430 0.015 . 1 1 . . . 429 LYS HA . 15154 1 619 . 1 1 54 54 LYS HB2 H 1 1.562 0.012 . 2 1 . . . 429 LYS HB2 . 15154 1 620 . 1 1 54 54 LYS HB3 H 1 1.674 0.011 . 2 1 . . . 429 LYS HB3 . 15154 1 621 . 1 1 54 54 LYS HG2 H 1 1.280 0.013 . 1 1 . . . 429 LYS HG2 . 15154 1 622 . 1 1 54 54 LYS HG3 H 1 1.280 0.013 . 1 1 . . . 429 LYS HG3 . 15154 1 623 . 1 1 54 54 LYS HD2 H 1 1.474 0.016 . 2 1 . . . 429 LYS HD2 . 15154 1 624 . 1 1 54 54 LYS HD3 H 1 1.588 0.010 . 2 1 . . . 429 LYS HD3 . 15154 1 625 . 1 1 54 54 LYS HE2 H 1 2.815 0.012 . 2 1 . . . 429 LYS HE2 . 15154 1 626 . 1 1 54 54 LYS HE3 H 1 2.924 0.010 . 2 1 . . . 429 LYS HE3 . 15154 1 627 . 1 1 54 54 LYS C C 13 175.351 0.010 . 1 1 . . . 429 LYS C . 15154 1 628 . 1 1 54 54 LYS CA C 13 54.384 0.012 . 1 1 . . . 429 LYS CA . 15154 1 629 . 1 1 54 54 LYS CB C 13 37.113 0.026 . 1 1 . . . 429 LYS CB . 15154 1 630 . 1 1 54 54 LYS CG C 13 24.753 0.010 . 1 1 . . . 429 LYS CG . 15154 1 631 . 1 1 54 54 LYS CD C 13 28.849 0.018 . 1 1 . . . 429 LYS CD . 15154 1 632 . 1 1 54 54 LYS CE C 13 42.215 0.010 . 1 1 . . . 429 LYS CE . 15154 1 633 . 1 1 54 54 LYS N N 15 119.815 0.015 . 1 1 . . . 429 LYS N . 15154 1 634 . 1 1 55 55 GLU H H 1 8.449 0.023 . 1 1 . . . 430 GLU H . 15154 1 635 . 1 1 55 55 GLU HA H 1 3.438 0.018 . 1 1 . . . 430 GLU HA . 15154 1 636 . 1 1 55 55 GLU HB2 H 1 1.892 0.011 . 2 1 . . . 430 GLU HB2 . 15154 1 637 . 1 1 55 55 GLU HB3 H 1 1.803 0.011 . 2 1 . . . 430 GLU HB3 . 15154 1 638 . 1 1 55 55 GLU HG2 H 1 2.191 0.012 . 1 1 . . . 430 GLU HG2 . 15154 1 639 . 1 1 55 55 GLU HG3 H 1 2.191 0.012 . 1 1 . . . 430 GLU HG3 . 15154 1 640 . 1 1 55 55 GLU C C 13 177.475 0.010 . 1 1 . . . 430 GLU C . 15154 1 641 . 1 1 55 55 GLU CA C 13 57.554 0.060 . 1 1 . . . 430 GLU CA . 15154 1 642 . 1 1 55 55 GLU CB C 13 28.945 0.019 . 1 1 . . . 430 GLU CB . 15154 1 643 . 1 1 55 55 GLU CG C 13 35.440 0.051 . 1 1 . . . 430 GLU CG . 15154 1 644 . 1 1 55 55 GLU N N 15 119.538 0.028 . 1 1 . . . 430 GLU N . 15154 1 645 . 1 1 56 56 ASN H H 1 8.943 0.026 . 1 1 . . . 431 ASN H . 15154 1 646 . 1 1 56 56 ASN HA H 1 4.159 0.014 . 1 1 . . . 431 ASN HA . 15154 1 647 . 1 1 56 56 ASN HB2 H 1 3.160 0.019 . 1 1 . . . 431 ASN HB2 . 15154 1 648 . 1 1 56 56 ASN HB3 H 1 3.160 0.019 . 1 1 . . . 431 ASN HB3 . 15154 1 649 . 1 1 56 56 ASN HD21 H 1 7.641 0.012 . 2 1 . . . 431 ASN HD21 . 15154 1 650 . 1 1 56 56 ASN HD22 H 1 6.726 0.010 . 2 1 . . . 431 ASN HD22 . 15154 1 651 . 1 1 56 56 ASN C C 13 173.971 0.010 . 1 1 . . . 431 ASN C . 15154 1 652 . 1 1 56 56 ASN CA C 13 55.656 0.017 . 1 1 . . . 431 ASN CA . 15154 1 653 . 1 1 56 56 ASN CB C 13 37.906 0.010 . 1 1 . . . 431 ASN CB . 15154 1 654 . 1 1 56 56 ASN N N 15 118.172 0.019 . 1 1 . . . 431 ASN N . 15154 1 655 . 1 1 56 56 ASN ND2 N 15 114.439 0.080 . 1 1 . . . 431 ASN ND2 . 15154 1 656 . 1 1 57 57 ASP H H 1 7.590 0.011 . 1 1 . . . 432 ASP H . 15154 1 657 . 1 1 57 57 ASP HA H 1 4.555 0.016 . 1 1 . . . 432 ASP HA . 15154 1 658 . 1 1 57 57 ASP HB2 H 1 2.794 0.012 . 2 1 . . . 432 ASP HB2 . 15154 1 659 . 1 1 57 57 ASP HB3 H 1 2.150 0.018 . 2 1 . . . 432 ASP HB3 . 15154 1 660 . 1 1 57 57 ASP C C 13 175.891 0.010 . 1 1 . . . 432 ASP C . 15154 1 661 . 1 1 57 57 ASP CA C 13 55.676 0.018 . 1 1 . . . 432 ASP CA . 15154 1 662 . 1 1 57 57 ASP CB C 13 42.540 0.052 . 1 1 . . . 432 ASP CB . 15154 1 663 . 1 1 57 57 ASP N N 15 120.447 0.013 . 1 1 . . . 432 ASP N . 15154 1 664 . 1 1 58 58 VAL H H 1 7.655 0.017 . 1 1 . . . 433 VAL H . 15154 1 665 . 1 1 58 58 VAL HA H 1 4.819 0.010 . 1 1 . . . 433 VAL HA . 15154 1 666 . 1 1 58 58 VAL HB H 1 1.908 0.013 . 1 1 . . . 433 VAL HB . 15154 1 667 . 1 1 58 58 VAL HG11 H 1 0.683 0.019 . 1 1 . . . 433 VAL HG1 . 15154 1 668 . 1 1 58 58 VAL HG12 H 1 0.683 0.019 . 1 1 . . . 433 VAL HG1 . 15154 1 669 . 1 1 58 58 VAL HG13 H 1 0.683 0.019 . 1 1 . . . 433 VAL HG1 . 15154 1 670 . 1 1 58 58 VAL HG21 H 1 0.956 0.013 . 1 1 . . . 433 VAL HG2 . 15154 1 671 . 1 1 58 58 VAL HG22 H 1 0.956 0.013 . 1 1 . . . 433 VAL HG2 . 15154 1 672 . 1 1 58 58 VAL HG23 H 1 0.956 0.013 . 1 1 . . . 433 VAL HG2 . 15154 1 673 . 1 1 58 58 VAL C C 13 176.416 0.010 . 1 1 . . . 433 VAL C . 15154 1 674 . 1 1 58 58 VAL CA C 13 60.637 0.015 . 1 1 . . . 433 VAL CA . 15154 1 675 . 1 1 58 58 VAL CB C 13 34.239 0.091 . 1 1 . . . 433 VAL CB . 15154 1 676 . 1 1 58 58 VAL CG1 C 13 21.863 0.020 . 1 1 . . . 433 VAL CG1 . 15154 1 677 . 1 1 58 58 VAL CG2 C 13 22.513 0.064 . 1 1 . . . 433 VAL CG2 . 15154 1 678 . 1 1 58 58 VAL N N 15 116.718 0.012 . 1 1 . . . 433 VAL N . 15154 1 679 . 1 1 59 59 ILE H H 1 9.387 0.014 . 1 1 . . . 434 ILE H . 15154 1 680 . 1 1 59 59 ILE HA H 1 4.054 0.014 . 1 1 . . . 434 ILE HA . 15154 1 681 . 1 1 59 59 ILE HB H 1 1.696 0.019 . 1 1 . . . 434 ILE HB . 15154 1 682 . 1 1 59 59 ILE HG12 H 1 0.843 0.015 . 2 1 . . . 434 ILE HG12 . 15154 1 683 . 1 1 59 59 ILE HG13 H 1 1.675 0.010 . 2 1 . . . 434 ILE HG13 . 15154 1 684 . 1 1 59 59 ILE HG21 H 1 0.773 0.014 . 1 1 . . . 434 ILE HG2 . 15154 1 685 . 1 1 59 59 ILE HG22 H 1 0.773 0.014 . 1 1 . . . 434 ILE HG2 . 15154 1 686 . 1 1 59 59 ILE HG23 H 1 0.773 0.014 . 1 1 . . . 434 ILE HG2 . 15154 1 687 . 1 1 59 59 ILE HD11 H 1 0.639 0.014 . 1 1 . . . 434 ILE HD1 . 15154 1 688 . 1 1 59 59 ILE HD12 H 1 0.639 0.014 . 1 1 . . . 434 ILE HD1 . 15154 1 689 . 1 1 59 59 ILE HD13 H 1 0.639 0.014 . 1 1 . . . 434 ILE HD1 . 15154 1 690 . 1 1 59 59 ILE C C 13 175.710 0.010 . 1 1 . . . 434 ILE C . 15154 1 691 . 1 1 59 59 ILE CA C 13 62.911 0.018 . 1 1 . . . 434 ILE CA . 15154 1 692 . 1 1 59 59 ILE CB C 13 39.144 0.010 . 1 1 . . . 434 ILE CB . 15154 1 693 . 1 1 59 59 ILE CG1 C 13 26.983 0.058 . 1 1 . . . 434 ILE CG1 . 15154 1 694 . 1 1 59 59 ILE CG2 C 13 18.303 0.015 . 1 1 . . . 434 ILE CG2 . 15154 1 695 . 1 1 59 59 ILE CD1 C 13 14.022 0.010 . 1 1 . . . 434 ILE CD1 . 15154 1 696 . 1 1 59 59 ILE N N 15 127.732 0.022 . 1 1 . . . 434 ILE N . 15154 1 697 . 1 1 60 60 ILE H H 1 8.521 0.016 . 1 1 . . . 435 ILE H . 15154 1 698 . 1 1 60 60 ILE HA H 1 4.832 0.017 . 1 1 . . . 435 ILE HA . 15154 1 699 . 1 1 60 60 ILE HB H 1 1.974 0.015 . 1 1 . . . 435 ILE HB . 15154 1 700 . 1 1 60 60 ILE HG12 H 1 0.984 0.014 . 2 1 . . . 435 ILE HG12 . 15154 1 701 . 1 1 60 60 ILE HG13 H 1 1.187 0.012 . 2 1 . . . 435 ILE HG13 . 15154 1 702 . 1 1 60 60 ILE HG21 H 1 0.887 0.012 . 1 1 . . . 435 ILE HG2 . 15154 1 703 . 1 1 60 60 ILE HG22 H 1 0.887 0.012 . 1 1 . . . 435 ILE HG2 . 15154 1 704 . 1 1 60 60 ILE HG23 H 1 0.887 0.012 . 1 1 . . . 435 ILE HG2 . 15154 1 705 . 1 1 60 60 ILE HD11 H 1 0.692 0.013 . 1 1 . . . 435 ILE HD1 . 15154 1 706 . 1 1 60 60 ILE HD12 H 1 0.692 0.013 . 1 1 . . . 435 ILE HD1 . 15154 1 707 . 1 1 60 60 ILE HD13 H 1 0.692 0.013 . 1 1 . . . 435 ILE HD1 . 15154 1 708 . 1 1 60 60 ILE C C 13 177.873 0.010 . 1 1 . . . 435 ILE C . 15154 1 709 . 1 1 60 60 ILE CA C 13 61.414 0.016 . 1 1 . . . 435 ILE CA . 15154 1 710 . 1 1 60 60 ILE CB C 13 39.463 0.014 . 1 1 . . . 435 ILE CB . 15154 1 711 . 1 1 60 60 ILE CG1 C 13 26.188 0.025 . 1 1 . . . 435 ILE CG1 . 15154 1 712 . 1 1 60 60 ILE CG2 C 13 17.953 0.045 . 1 1 . . . 435 ILE CG2 . 15154 1 713 . 1 1 60 60 ILE CD1 C 13 13.338 0.033 . 1 1 . . . 435 ILE CD1 . 15154 1 714 . 1 1 60 60 ILE N N 15 120.144 0.017 . 1 1 . . . 435 ILE N . 15154 1 715 . 1 1 61 61 SER H H 1 7.843 0.012 . 1 1 . . . 436 SER H . 15154 1 716 . 1 1 61 61 SER HA H 1 5.061 0.019 . 1 1 . . . 436 SER HA . 15154 1 717 . 1 1 61 61 SER HB2 H 1 3.465 0.011 . 2 1 . . . 436 SER HB2 . 15154 1 718 . 1 1 61 61 SER HB3 H 1 3.628 0.011 . 2 1 . . . 436 SER HB3 . 15154 1 719 . 1 1 61 61 SER C C 13 173.459 0.010 . 1 1 . . . 436 SER C . 15154 1 720 . 1 1 61 61 SER CA C 13 57.869 0.011 . 1 1 . . . 436 SER CA . 15154 1 721 . 1 1 61 61 SER CB C 13 64.479 0.013 . 1 1 . . . 436 SER CB . 15154 1 722 . 1 1 61 61 SER N N 15 116.547 0.017 . 1 1 . . . 436 SER N . 15154 1 723 . 1 1 62 62 ILE H H 1 8.761 0.017 . 1 1 . . . 437 ILE H . 15154 1 724 . 1 1 62 62 ILE HA H 1 4.534 0.014 . 1 1 . . . 437 ILE HA . 15154 1 725 . 1 1 62 62 ILE HB H 1 1.553 0.014 . 1 1 . . . 437 ILE HB . 15154 1 726 . 1 1 62 62 ILE HG12 H 1 0.806 0.016 . 2 1 . . . 437 ILE HG12 . 15154 1 727 . 1 1 62 62 ILE HG13 H 1 0.853 0.010 . 2 1 . . . 437 ILE HG13 . 15154 1 728 . 1 1 62 62 ILE HG21 H 1 0.682 0.014 . 1 1 . . . 437 ILE HG2 . 15154 1 729 . 1 1 62 62 ILE HG22 H 1 0.682 0.014 . 1 1 . . . 437 ILE HG2 . 15154 1 730 . 1 1 62 62 ILE HG23 H 1 0.682 0.014 . 1 1 . . . 437 ILE HG2 . 15154 1 731 . 1 1 62 62 ILE HD11 H 1 0.784 0.015 . 1 1 . . . 437 ILE HD1 . 15154 1 732 . 1 1 62 62 ILE HD12 H 1 0.784 0.015 . 1 1 . . . 437 ILE HD1 . 15154 1 733 . 1 1 62 62 ILE HD13 H 1 0.784 0.015 . 1 1 . . . 437 ILE HD1 . 15154 1 734 . 1 1 62 62 ILE C C 13 175.020 0.010 . 1 1 . . . 437 ILE C . 15154 1 735 . 1 1 62 62 ILE CA C 13 61.403 0.019 . 1 1 . . . 437 ILE CA . 15154 1 736 . 1 1 62 62 ILE CB C 13 41.294 0.010 . 1 1 . . . 437 ILE CB . 15154 1 737 . 1 1 62 62 ILE CG1 C 13 27.750 0.030 . 1 1 . . . 437 ILE CG1 . 15154 1 738 . 1 1 62 62 ILE CG2 C 13 18.742 0.017 . 1 1 . . . 437 ILE CG2 . 15154 1 739 . 1 1 62 62 ILE CD1 C 13 15.287 0.015 . 1 1 . . . 437 ILE CD1 . 15154 1 740 . 1 1 62 62 ILE N N 15 119.607 0.024 . 1 1 . . . 437 ILE N . 15154 1 741 . 1 1 63 63 ASN H H 1 9.543 0.016 . 1 1 . . . 438 ASN H . 15154 1 742 . 1 1 63 63 ASN HA H 1 4.550 0.019 . 1 1 . . . 438 ASN HA . 15154 1 743 . 1 1 63 63 ASN HB2 H 1 3.132 0.012 . 2 1 . . . 438 ASN HB2 . 15154 1 744 . 1 1 63 63 ASN HB3 H 1 2.870 0.014 . 2 1 . . . 438 ASN HB3 . 15154 1 745 . 1 1 63 63 ASN HD21 H 1 7.597 0.013 . 2 1 . . . 438 ASN HD21 . 15154 1 746 . 1 1 63 63 ASN HD22 H 1 7.192 0.016 . 2 1 . . . 438 ASN HD22 . 15154 1 747 . 1 1 63 63 ASN C C 13 175.337 0.010 . 1 1 . . . 438 ASN C . 15154 1 748 . 1 1 63 63 ASN CA C 13 53.954 0.013 . 1 1 . . . 438 ASN CA . 15154 1 749 . 1 1 63 63 ASN CB C 13 35.469 0.049 . 1 1 . . . 438 ASN CB . 15154 1 750 . 1 1 63 63 ASN N N 15 128.259 0.015 . 1 1 . . . 438 ASN N . 15154 1 751 . 1 1 63 63 ASN ND2 N 15 108.573 0.056 . 1 1 . . . 438 ASN ND2 . 15154 1 752 . 1 1 64 64 GLY H H 1 8.652 0.025 . 1 1 . . . 439 GLY H . 15154 1 753 . 1 1 64 64 GLY HA2 H 1 3.525 0.010 . 2 1 . . . 439 GLY HA2 . 15154 1 754 . 1 1 64 64 GLY HA3 H 1 4.141 0.010 . 2 1 . . . 439 GLY HA3 . 15154 1 755 . 1 1 64 64 GLY C C 13 173.780 0.010 . 1 1 . . . 439 GLY C . 15154 1 756 . 1 1 64 64 GLY CA C 13 45.109 0.010 . 1 1 . . . 439 GLY CA . 15154 1 757 . 1 1 64 64 GLY N N 15 103.563 0.013 . 1 1 . . . 439 GLY N . 15154 1 758 . 1 1 65 65 GLN H H 1 7.965 0.017 . 1 1 . . . 440 GLN H . 15154 1 759 . 1 1 65 65 GLN HA H 1 4.555 0.011 . 1 1 . . . 440 GLN HA . 15154 1 760 . 1 1 65 65 GLN HB2 H 1 1.995 0.011 . 2 1 . . . 440 GLN HB2 . 15154 1 761 . 1 1 65 65 GLN HB3 H 1 2.086 0.013 . 2 1 . . . 440 GLN HB3 . 15154 1 762 . 1 1 65 65 GLN HE21 H 1 7.419 0.012 . 2 1 . . . 440 GLN HE21 . 15154 1 763 . 1 1 65 65 GLN HE22 H 1 6.900 0.011 . 2 1 . . . 440 GLN HE22 . 15154 1 764 . 1 1 65 65 GLN C C 13 175.632 0.010 . 1 1 . . . 440 GLN C . 15154 1 765 . 1 1 65 65 GLN CA C 13 53.722 0.014 . 1 1 . . . 440 GLN CA . 15154 1 766 . 1 1 65 65 GLN CB C 13 30.014 0.017 . 1 1 . . . 440 GLN CB . 15154 1 767 . 1 1 65 65 GLN CG C 13 33.243 0.010 . 1 1 . . . 440 GLN CG . 15154 1 768 . 1 1 65 65 GLN N N 15 121.068 0.010 . 1 1 . . . 440 GLN N . 15154 1 769 . 1 1 65 65 GLN NE2 N 15 112.288 0.086 . 1 1 . . . 440 GLN NE2 . 15154 1 770 . 1 1 66 66 SER H H 1 8.732 0.060 . 1 1 . . . 441 SER H . 15154 1 771 . 1 1 66 66 SER HA H 1 4.399 0.017 . 1 1 . . . 441 SER HA . 15154 1 772 . 1 1 66 66 SER HB2 H 1 3.758 0.017 . 1 1 . . . 441 SER HB2 . 15154 1 773 . 1 1 66 66 SER HB3 H 1 3.758 0.017 . 1 1 . . . 441 SER HB3 . 15154 1 774 . 1 1 66 66 SER C C 13 173.792 0.010 . 1 1 . . . 441 SER C . 15154 1 775 . 1 1 66 66 SER CA C 13 59.865 0.043 . 1 1 . . . 441 SER CA . 15154 1 776 . 1 1 66 66 SER CB C 13 63.737 0.010 . 1 1 . . . 441 SER CB . 15154 1 777 . 1 1 66 66 SER N N 15 121.663 0.013 . 1 1 . . . 441 SER N . 15154 1 778 . 1 1 67 67 VAL H H 1 7.700 0.011 . 1 1 . . . 442 VAL H . 15154 1 779 . 1 1 67 67 VAL HA H 1 4.303 0.014 . 1 1 . . . 442 VAL HA . 15154 1 780 . 1 1 67 67 VAL HB H 1 1.672 0.014 . 1 1 . . . 442 VAL HB . 15154 1 781 . 1 1 67 67 VAL HG11 H 1 0.685 0.012 . 1 1 . . . 442 VAL HG1 . 15154 1 782 . 1 1 67 67 VAL HG12 H 1 0.685 0.012 . 1 1 . . . 442 VAL HG1 . 15154 1 783 . 1 1 67 67 VAL HG13 H 1 0.685 0.012 . 1 1 . . . 442 VAL HG1 . 15154 1 784 . 1 1 67 67 VAL HG21 H 1 0.637 0.010 . 1 1 . . . 442 VAL HG2 . 15154 1 785 . 1 1 67 67 VAL HG22 H 1 0.637 0.010 . 1 1 . . . 442 VAL HG2 . 15154 1 786 . 1 1 67 67 VAL HG23 H 1 0.637 0.010 . 1 1 . . . 442 VAL HG2 . 15154 1 787 . 1 1 67 67 VAL C C 13 174.783 0.010 . 1 1 . . . 442 VAL C . 15154 1 788 . 1 1 67 67 VAL CA C 13 60.626 0.010 . 1 1 . . . 442 VAL CA . 15154 1 789 . 1 1 67 67 VAL CB C 13 33.712 0.054 . 1 1 . . . 442 VAL CB . 15154 1 790 . 1 1 67 67 VAL CG1 C 13 22.557 0.010 . 1 1 . . . 442 VAL CG1 . 15154 1 791 . 1 1 67 67 VAL CG2 C 13 20.434 0.010 . 1 1 . . . 442 VAL CG2 . 15154 1 792 . 1 1 67 67 VAL N N 15 122.370 0.021 . 1 1 . . . 442 VAL N . 15154 1 793 . 1 1 68 68 VAL H H 1 9.177 0.026 . 1 1 . . . 443 VAL H . 15154 1 794 . 1 1 68 68 VAL HA H 1 4.257 0.011 . 1 1 . . . 443 VAL HA . 15154 1 795 . 1 1 68 68 VAL HB H 1 2.239 0.013 . 1 1 . . . 443 VAL HB . 15154 1 796 . 1 1 68 68 VAL HG11 H 1 0.872 0.019 . 1 1 . . . 443 VAL HG1 . 15154 1 797 . 1 1 68 68 VAL HG12 H 1 0.872 0.019 . 1 1 . . . 443 VAL HG1 . 15154 1 798 . 1 1 68 68 VAL HG13 H 1 0.872 0.019 . 1 1 . . . 443 VAL HG1 . 15154 1 799 . 1 1 68 68 VAL HG21 H 1 0.854 0.019 . 1 1 . . . 443 VAL HG2 . 15154 1 800 . 1 1 68 68 VAL HG22 H 1 0.854 0.019 . 1 1 . . . 443 VAL HG2 . 15154 1 801 . 1 1 68 68 VAL HG23 H 1 0.854 0.019 . 1 1 . . . 443 VAL HG2 . 15154 1 802 . 1 1 68 68 VAL C C 13 175.867 0.010 . 1 1 . . . 443 VAL C . 15154 1 803 . 1 1 68 68 VAL CA C 13 61.425 0.035 . 1 1 . . . 443 VAL CA . 15154 1 804 . 1 1 68 68 VAL CB C 13 33.397 0.027 . 1 1 . . . 443 VAL CB . 15154 1 805 . 1 1 68 68 VAL CG1 C 13 20.953 0.096 . 1 1 . . . 443 VAL CG1 . 15154 1 806 . 1 1 68 68 VAL CG2 C 13 20.118 0.017 . 1 1 . . . 443 VAL CG2 . 15154 1 807 . 1 1 68 68 VAL N N 15 120.933 0.014 . 1 1 . . . 443 VAL N . 15154 1 808 . 1 1 69 69 SER H H 1 7.875 0.033 . 1 1 . . . 444 SER H . 15154 1 809 . 1 1 69 69 SER HA H 1 4.709 0.013 . 1 1 . . . 444 SER HA . 15154 1 810 . 1 1 69 69 SER HB2 H 1 4.175 0.012 . 2 1 . . . 444 SER HB2 . 15154 1 811 . 1 1 69 69 SER HB3 H 1 3.773 0.012 . 2 1 . . . 444 SER HB3 . 15154 1 812 . 1 1 69 69 SER C C 13 174.414 0.010 . 1 1 . . . 444 SER C . 15154 1 813 . 1 1 69 69 SER CA C 13 55.964 0.025 . 1 1 . . . 444 SER CA . 15154 1 814 . 1 1 69 69 SER CB C 13 66.781 0.015 . 1 1 . . . 444 SER CB . 15154 1 815 . 1 1 69 69 SER N N 15 114.570 0.011 . 1 1 . . . 444 SER N . 15154 1 816 . 1 1 70 70 ALA H H 1 8.843 0.017 . 1 1 . . . 445 ALA H . 15154 1 817 . 1 1 70 70 ALA HA H 1 3.577 0.017 . 1 1 . . . 445 ALA HA . 15154 1 818 . 1 1 70 70 ALA HB1 H 1 0.484 0.016 . 1 1 . . . 445 ALA HB . 15154 1 819 . 1 1 70 70 ALA HB2 H 1 0.484 0.016 . 1 1 . . . 445 ALA HB . 15154 1 820 . 1 1 70 70 ALA HB3 H 1 0.484 0.016 . 1 1 . . . 445 ALA HB . 15154 1 821 . 1 1 70 70 ALA C C 13 178.494 0.010 . 1 1 . . . 445 ALA C . 15154 1 822 . 1 1 70 70 ALA CA C 13 54.736 0.034 . 1 1 . . . 445 ALA CA . 15154 1 823 . 1 1 70 70 ALA CB C 13 17.378 0.025 . 1 1 . . . 445 ALA CB . 15154 1 824 . 1 1 70 70 ALA N N 15 123.063 0.018 . 1 1 . . . 445 ALA N . 15154 1 825 . 1 1 71 71 ASN H H 1 8.038 0.067 . 1 1 . . . 446 ASN H . 15154 1 826 . 1 1 71 71 ASN HA H 1 3.433 0.013 . 1 1 . . . 446 ASN HA . 15154 1 827 . 1 1 71 71 ASN HB2 H 1 2.675 0.016 . 2 1 . . . 446 ASN HB2 . 15154 1 828 . 1 1 71 71 ASN HB3 H 1 2.553 0.016 . 2 1 . . . 446 ASN HB3 . 15154 1 829 . 1 1 71 71 ASN HD21 H 1 7.808 0.012 . 2 1 . . . 446 ASN HD21 . 15154 1 830 . 1 1 71 71 ASN HD22 H 1 7.132 0.012 . 2 1 . . . 446 ASN HD22 . 15154 1 831 . 1 1 71 71 ASN C C 13 176.899 0.010 . 1 1 . . . 446 ASN C . 15154 1 832 . 1 1 71 71 ASN CA C 13 55.828 0.010 . 1 1 . . . 446 ASN CA . 15154 1 833 . 1 1 71 71 ASN CB C 13 37.700 0.016 . 1 1 . . . 446 ASN CB . 15154 1 834 . 1 1 71 71 ASN N N 15 114.754 0.010 . 1 1 . . . 446 ASN N . 15154 1 835 . 1 1 71 71 ASN ND2 N 15 115.555 0.042 . 1 1 . . . 446 ASN ND2 . 15154 1 836 . 1 1 72 72 ASP H H 1 7.425 0.039 . 1 1 . . . 447 ASP H . 15154 1 837 . 1 1 72 72 ASP HA H 1 4.205 0.015 . 1 1 . . . 447 ASP HA . 15154 1 838 . 1 1 72 72 ASP HB2 H 1 2.889 0.011 . 2 1 . . . 447 ASP HB2 . 15154 1 839 . 1 1 72 72 ASP HB3 H 1 2.701 0.011 . 2 1 . . . 447 ASP HB3 . 15154 1 840 . 1 1 72 72 ASP C C 13 178.140 0.010 . 1 1 . . . 447 ASP C . 15154 1 841 . 1 1 72 72 ASP CA C 13 57.305 0.014 . 1 1 . . . 447 ASP CA . 15154 1 842 . 1 1 72 72 ASP CB C 13 41.290 0.020 . 1 1 . . . 447 ASP CB . 15154 1 843 . 1 1 72 72 ASP N N 15 117.787 0.010 . 1 1 . . . 447 ASP N . 15154 1 844 . 1 1 73 73 VAL H H 1 6.774 0.014 . 1 1 . . . 448 VAL H . 15154 1 845 . 1 1 73 73 VAL HA H 1 3.254 0.017 . 1 1 . . . 448 VAL HA . 15154 1 846 . 1 1 73 73 VAL HB H 1 1.841 0.010 . 1 1 . . . 448 VAL HB . 15154 1 847 . 1 1 73 73 VAL HG11 H 1 0.599 0.010 . 1 1 . . . 448 VAL HG1 . 15154 1 848 . 1 1 73 73 VAL HG12 H 1 0.599 0.010 . 1 1 . . . 448 VAL HG1 . 15154 1 849 . 1 1 73 73 VAL HG13 H 1 0.599 0.010 . 1 1 . . . 448 VAL HG1 . 15154 1 850 . 1 1 73 73 VAL HG21 H 1 0.784 0.019 . 1 1 . . . 448 VAL HG2 . 15154 1 851 . 1 1 73 73 VAL HG22 H 1 0.784 0.019 . 1 1 . . . 448 VAL HG2 . 15154 1 852 . 1 1 73 73 VAL HG23 H 1 0.784 0.019 . 1 1 . . . 448 VAL HG2 . 15154 1 853 . 1 1 73 73 VAL C C 13 176.954 0.010 . 1 1 . . . 448 VAL C . 15154 1 854 . 1 1 73 73 VAL CA C 13 66.043 0.050 . 1 1 . . . 448 VAL CA . 15154 1 855 . 1 1 73 73 VAL CB C 13 31.316 0.019 . 1 1 . . . 448 VAL CB . 15154 1 856 . 1 1 73 73 VAL CG1 C 13 20.220 0.010 . 1 1 . . . 448 VAL CG1 . 15154 1 857 . 1 1 73 73 VAL CG2 C 13 23.649 0.010 . 1 1 . . . 448 VAL CG2 . 15154 1 858 . 1 1 73 73 VAL N N 15 117.166 0.014 . 1 1 . . . 448 VAL N . 15154 1 859 . 1 1 74 74 SER H H 1 7.450 0.011 . 1 1 . . . 449 SER H . 15154 1 860 . 1 1 74 74 SER HA H 1 3.872 0.015 . 1 1 . . . 449 SER HA . 15154 1 861 . 1 1 74 74 SER HB2 H 1 3.563 0.011 . 2 1 . . . 449 SER HB2 . 15154 1 862 . 1 1 74 74 SER HB3 H 1 3.770 0.011 . 2 1 . . . 449 SER HB3 . 15154 1 863 . 1 1 74 74 SER C C 13 176.648 0.010 . 1 1 . . . 449 SER C . 15154 1 864 . 1 1 74 74 SER CA C 13 61.495 0.010 . 1 1 . . . 449 SER CA . 15154 1 865 . 1 1 74 74 SER CB C 13 62.800 0.029 . 1 1 . . . 449 SER CB . 15154 1 866 . 1 1 74 74 SER N N 15 111.799 0.012 . 1 1 . . . 449 SER N . 15154 1 867 . 1 1 75 75 ASP H H 1 7.980 0.020 . 1 1 . . . 450 ASP H . 15154 1 868 . 1 1 75 75 ASP HA H 1 4.316 0.013 . 1 1 . . . 450 ASP HA . 15154 1 869 . 1 1 75 75 ASP HB2 H 1 2.556 0.013 . 2 1 . . . 450 ASP HB2 . 15154 1 870 . 1 1 75 75 ASP HB3 H 1 2.774 0.010 . 2 1 . . . 450 ASP HB3 . 15154 1 871 . 1 1 75 75 ASP C C 13 178.620 0.010 . 1 1 . . . 450 ASP C . 15154 1 872 . 1 1 75 75 ASP CA C 13 57.486 0.032 . 1 1 . . . 450 ASP CA . 15154 1 873 . 1 1 75 75 ASP CB C 13 40.664 0.012 . 1 1 . . . 450 ASP CB . 15154 1 874 . 1 1 75 75 ASP N N 15 118.001 0.016 . 1 1 . . . 450 ASP N . 15154 1 875 . 1 1 76 76 VAL H H 1 7.554 0.013 . 1 1 . . . 451 VAL H . 15154 1 876 . 1 1 76 76 VAL HA H 1 3.657 0.013 . 1 1 . . . 451 VAL HA . 15154 1 877 . 1 1 76 76 VAL HB H 1 1.968 0.013 . 1 1 . . . 451 VAL HB . 15154 1 878 . 1 1 76 76 VAL HG11 H 1 0.840 0.014 . 1 1 . . . 451 VAL HG1 . 15154 1 879 . 1 1 76 76 VAL HG12 H 1 0.840 0.014 . 1 1 . . . 451 VAL HG1 . 15154 1 880 . 1 1 76 76 VAL HG13 H 1 0.840 0.014 . 1 1 . . . 451 VAL HG1 . 15154 1 881 . 1 1 76 76 VAL HG21 H 1 0.964 0.012 . 1 1 . . . 451 VAL HG2 . 15154 1 882 . 1 1 76 76 VAL HG22 H 1 0.964 0.012 . 1 1 . . . 451 VAL HG2 . 15154 1 883 . 1 1 76 76 VAL HG23 H 1 0.964 0.012 . 1 1 . . . 451 VAL HG2 . 15154 1 884 . 1 1 76 76 VAL C C 13 177.980 0.010 . 1 1 . . . 451 VAL C . 15154 1 885 . 1 1 76 76 VAL CA C 13 66.319 0.043 . 1 1 . . . 451 VAL CA . 15154 1 886 . 1 1 76 76 VAL CB C 13 31.443 0.047 . 1 1 . . . 451 VAL CB . 15154 1 887 . 1 1 76 76 VAL CG1 C 13 22.143 0.030 . 1 1 . . . 451 VAL CG1 . 15154 1 888 . 1 1 76 76 VAL CG2 C 13 22.770 0.023 . 1 1 . . . 451 VAL CG2 . 15154 1 889 . 1 1 76 76 VAL N N 15 119.230 0.039 . 1 1 . . . 451 VAL N . 15154 1 890 . 1 1 77 77 ILE H H 1 7.887 0.017 . 1 1 . . . 452 ILE H . 15154 1 891 . 1 1 77 77 ILE HA H 1 3.453 0.014 . 1 1 . . . 452 ILE HA . 15154 1 892 . 1 1 77 77 ILE HB H 1 1.838 0.014 . 1 1 . . . 452 ILE HB . 15154 1 893 . 1 1 77 77 ILE HG12 H 1 0.722 0.017 . 2 1 . . . 452 ILE HG12 . 15154 1 894 . 1 1 77 77 ILE HG13 H 1 1.748 0.016 . 2 1 . . . 452 ILE HG13 . 15154 1 895 . 1 1 77 77 ILE HG21 H 1 0.763 0.019 . 1 1 . . . 452 ILE HG2 . 15154 1 896 . 1 1 77 77 ILE HG22 H 1 0.763 0.019 . 1 1 . . . 452 ILE HG2 . 15154 1 897 . 1 1 77 77 ILE HG23 H 1 0.763 0.019 . 1 1 . . . 452 ILE HG2 . 15154 1 898 . 1 1 77 77 ILE HD11 H 1 0.670 0.013 . 1 1 . . . 452 ILE HD1 . 15154 1 899 . 1 1 77 77 ILE HD12 H 1 0.670 0.013 . 1 1 . . . 452 ILE HD1 . 15154 1 900 . 1 1 77 77 ILE HD13 H 1 0.670 0.013 . 1 1 . . . 452 ILE HD1 . 15154 1 901 . 1 1 77 77 ILE C C 13 176.276 0.010 . 1 1 . . . 452 ILE C . 15154 1 902 . 1 1 77 77 ILE CA C 13 65.528 0.011 . 1 1 . . . 452 ILE CA . 15154 1 903 . 1 1 77 77 ILE CB C 13 38.095 0.048 . 1 1 . . . 452 ILE CB . 15154 1 904 . 1 1 77 77 ILE CG1 C 13 29.582 0.064 . 1 1 . . . 452 ILE CG1 . 15154 1 905 . 1 1 77 77 ILE CG2 C 13 17.598 0.073 . 1 1 . . . 452 ILE CG2 . 15154 1 906 . 1 1 77 77 ILE CD1 C 13 15.398 0.037 . 1 1 . . . 452 ILE CD1 . 15154 1 907 . 1 1 77 77 ILE N N 15 119.799 0.038 . 1 1 . . . 452 ILE N . 15154 1 908 . 1 1 78 78 LYS H H 1 7.207 0.012 . 1 1 . . . 453 LYS H . 15154 1 909 . 1 1 78 78 LYS HA H 1 3.942 0.013 . 1 1 . . . 453 LYS HA . 15154 1 910 . 1 1 78 78 LYS HB2 H 1 1.913 0.012 . 1 1 . . . 453 LYS HB2 . 15154 1 911 . 1 1 78 78 LYS HB3 H 1 1.913 0.012 . 1 1 . . . 453 LYS HB3 . 15154 1 912 . 1 1 78 78 LYS HG2 H 1 1.474 0.013 . 2 1 . . . 453 LYS HG2 . 15154 1 913 . 1 1 78 78 LYS HG3 H 1 1.706 0.019 . 2 1 . . . 453 LYS HG3 . 15154 1 914 . 1 1 78 78 LYS HD2 H 1 1.731 0.013 . 1 1 . . . 453 LYS HD2 . 15154 1 915 . 1 1 78 78 LYS HD3 H 1 1.731 0.013 . 1 1 . . . 453 LYS HD3 . 15154 1 916 . 1 1 78 78 LYS HE2 H 1 3.004 0.013 . 1 1 . . . 453 LYS HE2 . 15154 1 917 . 1 1 78 78 LYS HE3 H 1 3.004 0.013 . 1 1 . . . 453 LYS HE3 . 15154 1 918 . 1 1 78 78 LYS C C 13 178.519 0.010 . 1 1 . . . 453 LYS C . 15154 1 919 . 1 1 78 78 LYS CA C 13 59.130 0.031 . 1 1 . . . 453 LYS CA . 15154 1 920 . 1 1 78 78 LYS CB C 13 32.858 0.027 . 1 1 . . . 453 LYS CB . 15154 1 921 . 1 1 78 78 LYS CG C 13 25.571 0.047 . 1 1 . . . 453 LYS CG . 15154 1 922 . 1 1 78 78 LYS CD C 13 29.652 0.062 . 1 1 . . . 453 LYS CD . 15154 1 923 . 1 1 78 78 LYS CE C 13 42.050 0.013 . 1 1 . . . 453 LYS CE . 15154 1 924 . 1 1 78 78 LYS N N 15 113.199 0.011 . 1 1 . . . 453 LYS N . 15154 1 925 . 1 1 79 79 ARG H H 1 7.377 0.015 . 1 1 . . . 454 ARG H . 15154 1 926 . 1 1 79 79 ARG HA H 1 4.365 0.014 . 1 1 . . . 454 ARG HA . 15154 1 927 . 1 1 79 79 ARG HB2 H 1 1.849 0.014 . 1 1 . . . 454 ARG HB2 . 15154 1 928 . 1 1 79 79 ARG HB3 H 1 1.849 0.014 . 1 1 . . . 454 ARG HB3 . 15154 1 929 . 1 1 79 79 ARG HG2 H 1 1.630 0.014 . 2 1 . . . 454 ARG HG2 . 15154 1 930 . 1 1 79 79 ARG HG3 H 1 1.707 0.016 . 2 1 . . . 454 ARG HG3 . 15154 1 931 . 1 1 79 79 ARG HD2 H 1 3.182 0.014 . 1 1 . . . 454 ARG HD2 . 15154 1 932 . 1 1 79 79 ARG HD3 H 1 3.182 0.014 . 1 1 . . . 454 ARG HD3 . 15154 1 933 . 1 1 79 79 ARG HE H 1 7.573 0.012 . 1 1 . . . 454 ARG HE . 15154 1 934 . 1 1 79 79 ARG C C 13 176.831 0.010 . 1 1 . . . 454 ARG C . 15154 1 935 . 1 1 79 79 ARG CA C 13 57.576 0.049 . 1 1 . . . 454 ARG CA . 15154 1 936 . 1 1 79 79 ARG CB C 13 33.367 0.044 . 1 1 . . . 454 ARG CB . 15154 1 937 . 1 1 79 79 ARG CG C 13 27.802 0.020 . 1 1 . . . 454 ARG CG . 15154 1 938 . 1 1 79 79 ARG CD C 13 43.466 0.011 . 1 1 . . . 454 ARG CD . 15154 1 939 . 1 1 79 79 ARG N N 15 116.117 0.013 . 1 1 . . . 454 ARG N . 15154 1 940 . 1 1 79 79 ARG NE N 15 85.369 0.018 . 1 1 . . . 454 ARG NE . 15154 1 941 . 1 1 80 80 GLU H H 1 7.840 0.026 . 1 1 . . . 455 GLU H . 15154 1 942 . 1 1 80 80 GLU HA H 1 4.645 0.015 . 1 1 . . . 455 GLU HA . 15154 1 943 . 1 1 80 80 GLU HB2 H 1 1.602 0.018 . 2 1 . . . 455 GLU HB2 . 15154 1 944 . 1 1 80 80 GLU HB3 H 1 1.994 0.014 . 2 1 . . . 455 GLU HB3 . 15154 1 945 . 1 1 80 80 GLU HG2 H 1 2.161 0.015 . 2 1 . . . 455 GLU HG2 . 15154 1 946 . 1 1 80 80 GLU HG3 H 1 2.289 0.011 . 2 1 . . . 455 GLU HG3 . 15154 1 947 . 1 1 80 80 GLU C C 13 176.210 0.010 . 1 1 . . . 455 GLU C . 15154 1 948 . 1 1 80 80 GLU CA C 13 55.498 0.010 . 1 1 . . . 455 GLU CA . 15154 1 949 . 1 1 80 80 GLU CB C 13 31.500 0.038 . 1 1 . . . 455 GLU CB . 15154 1 950 . 1 1 80 80 GLU CG C 13 36.552 0.019 . 1 1 . . . 455 GLU CG . 15154 1 951 . 1 1 80 80 GLU N N 15 118.057 0.010 . 1 1 . . . 455 GLU N . 15154 1 952 . 1 1 81 81 SER H H 1 8.623 0.031 . 1 1 . . . 456 SER H . 15154 1 953 . 1 1 81 81 SER HA H 1 4.390 0.011 . 1 1 . . . 456 SER HA . 15154 1 954 . 1 1 81 81 SER HB2 H 1 3.847 0.010 . 1 1 . . . 456 SER HB2 . 15154 1 955 . 1 1 81 81 SER HB3 H 1 3.847 0.010 . 1 1 . . . 456 SER HB3 . 15154 1 956 . 1 1 81 81 SER C C 13 174.468 0.010 . 1 1 . . . 456 SER C . 15154 1 957 . 1 1 81 81 SER CA C 13 59.181 0.010 . 1 1 . . . 456 SER CA . 15154 1 958 . 1 1 81 81 SER CB C 13 63.855 0.010 . 1 1 . . . 456 SER CB . 15154 1 959 . 1 1 81 81 SER N N 15 115.070 0.018 . 1 1 . . . 456 SER N . 15154 1 960 . 1 1 82 82 THR H H 1 7.736 0.040 . 1 1 . . . 457 THR H . 15154 1 961 . 1 1 82 82 THR HA H 1 4.268 0.013 . 1 1 . . . 457 THR HA . 15154 1 962 . 1 1 82 82 THR HB H 1 3.841 0.015 . 1 1 . . . 457 THR HB . 15154 1 963 . 1 1 82 82 THR HG21 H 1 1.009 0.011 . 1 1 . . . 457 THR HG2 . 15154 1 964 . 1 1 82 82 THR HG22 H 1 1.009 0.011 . 1 1 . . . 457 THR HG2 . 15154 1 965 . 1 1 82 82 THR HG23 H 1 1.009 0.011 . 1 1 . . . 457 THR HG2 . 15154 1 966 . 1 1 82 82 THR C C 13 172.580 0.010 . 1 1 . . . 457 THR C . 15154 1 967 . 1 1 82 82 THR CA C 13 62.881 0.017 . 1 1 . . . 457 THR CA . 15154 1 968 . 1 1 82 82 THR CB C 13 70.790 0.024 . 1 1 . . . 457 THR CB . 15154 1 969 . 1 1 82 82 THR CG2 C 13 21.703 0.010 . 1 1 . . . 457 THR CG2 . 15154 1 970 . 1 1 82 82 THR N N 15 116.743 0.010 . 1 1 . . . 457 THR N . 15154 1 971 . 1 1 83 83 LEU H H 1 8.498 0.010 . 1 1 . . . 458 LEU H . 15154 1 972 . 1 1 83 83 LEU HA H 1 4.539 0.014 . 1 1 . . . 458 LEU HA . 15154 1 973 . 1 1 83 83 LEU HB2 H 1 2.196 0.017 . 2 1 . . . 458 LEU HB2 . 15154 1 974 . 1 1 83 83 LEU HB3 H 1 0.914 0.013 . 2 1 . . . 458 LEU HB3 . 15154 1 975 . 1 1 83 83 LEU HG H 1 1.451 0.015 . 1 1 . . . 458 LEU HG . 15154 1 976 . 1 1 83 83 LEU HD11 H 1 0.676 0.013 . 1 1 . . . 458 LEU HD1 . 15154 1 977 . 1 1 83 83 LEU HD12 H 1 0.676 0.013 . 1 1 . . . 458 LEU HD1 . 15154 1 978 . 1 1 83 83 LEU HD13 H 1 0.676 0.013 . 1 1 . . . 458 LEU HD1 . 15154 1 979 . 1 1 83 83 LEU HD21 H 1 0.604 0.013 . 1 1 . . . 458 LEU HD2 . 15154 1 980 . 1 1 83 83 LEU HD22 H 1 0.604 0.013 . 1 1 . . . 458 LEU HD2 . 15154 1 981 . 1 1 83 83 LEU HD23 H 1 0.604 0.013 . 1 1 . . . 458 LEU HD2 . 15154 1 982 . 1 1 83 83 LEU C C 13 173.833 0.010 . 1 1 . . . 458 LEU C . 15154 1 983 . 1 1 83 83 LEU CA C 13 52.866 0.010 . 1 1 . . . 458 LEU CA . 15154 1 984 . 1 1 83 83 LEU CB C 13 41.892 0.050 . 1 1 . . . 458 LEU CB . 15154 1 985 . 1 1 83 83 LEU CG C 13 27.186 0.056 . 1 1 . . . 458 LEU CG . 15154 1 986 . 1 1 83 83 LEU CD1 C 13 27.413 0.029 . 1 1 . . . 458 LEU CD1 . 15154 1 987 . 1 1 83 83 LEU CD2 C 13 24.352 0.049 . 1 1 . . . 458 LEU CD2 . 15154 1 988 . 1 1 83 83 LEU N N 15 124.252 0.012 . 1 1 . . . 458 LEU N . 15154 1 989 . 1 1 84 84 ASN H H 1 9.398 0.025 . 1 1 . . . 459 ASN H . 15154 1 990 . 1 1 84 84 ASN HA H 1 5.081 0.012 . 1 1 . . . 459 ASN HA . 15154 1 991 . 1 1 84 84 ASN HB2 H 1 2.939 0.019 . 2 1 . . . 459 ASN HB2 . 15154 1 992 . 1 1 84 84 ASN HB3 H 1 2.668 0.010 . 2 1 . . . 459 ASN HB3 . 15154 1 993 . 1 1 84 84 ASN HD21 H 1 6.709 0.018 . 2 1 . . . 459 ASN HD21 . 15154 1 994 . 1 1 84 84 ASN HD22 H 1 7.208 0.012 . 2 1 . . . 459 ASN HD22 . 15154 1 995 . 1 1 84 84 ASN C C 13 174.915 0.010 . 1 1 . . . 459 ASN C . 15154 1 996 . 1 1 84 84 ASN CA C 13 52.826 0.043 . 1 1 . . . 459 ASN CA . 15154 1 997 . 1 1 84 84 ASN CB C 13 37.814 0.035 . 1 1 . . . 459 ASN CB . 15154 1 998 . 1 1 84 84 ASN N N 15 125.003 0.075 . 1 1 . . . 459 ASN N . 15154 1 999 . 1 1 84 84 ASN ND2 N 15 113.551 0.043 . 1 1 . . . 459 ASN ND2 . 15154 1 1000 . 1 1 85 85 MET H H 1 9.640 0.024 . 1 1 . . . 460 MET H . 15154 1 1001 . 1 1 85 85 MET HA H 1 4.994 0.017 . 1 1 . . . 460 MET HA . 15154 1 1002 . 1 1 85 85 MET HB2 H 1 1.752 0.018 . 2 1 . . . 460 MET HB2 . 15154 1 1003 . 1 1 85 85 MET HB3 H 1 2.042 0.011 . 2 1 . . . 460 MET HB3 . 15154 1 1004 . 1 1 85 85 MET HG2 H 1 2.146 0.014 . 2 1 . . . 460 MET HG2 . 15154 1 1005 . 1 1 85 85 MET HG3 H 1 2.543 0.011 . 2 1 . . . 460 MET HG3 . 15154 1 1006 . 1 1 85 85 MET HE1 H 1 1.720 0.010 . 1 1 . . . 460 MET HE . 15154 1 1007 . 1 1 85 85 MET HE2 H 1 1.720 0.010 . 1 1 . . . 460 MET HE . 15154 1 1008 . 1 1 85 85 MET HE3 H 1 1.720 0.010 . 1 1 . . . 460 MET HE . 15154 1 1009 . 1 1 85 85 MET C C 13 175.084 0.010 . 1 1 . . . 460 MET C . 15154 1 1010 . 1 1 85 85 MET CA C 13 55.278 0.016 . 1 1 . . . 460 MET CA . 15154 1 1011 . 1 1 85 85 MET CB C 13 34.921 0.044 . 1 1 . . . 460 MET CB . 15154 1 1012 . 1 1 85 85 MET CG C 13 33.574 0.036 . 1 1 . . . 460 MET CG . 15154 1 1013 . 1 1 85 85 MET CE C 13 17.747 0.010 . 1 1 . . . 460 MET CE . 15154 1 1014 . 1 1 85 85 MET N N 15 125.252 0.012 . 1 1 . . . 460 MET N . 15154 1 1015 . 1 1 86 86 VAL H H 1 8.526 0.018 . 1 1 . . . 461 VAL H . 15154 1 1016 . 1 1 86 86 VAL HA H 1 4.642 0.015 . 1 1 . . . 461 VAL HA . 15154 1 1017 . 1 1 86 86 VAL HB H 1 1.934 0.016 . 1 1 . . . 461 VAL HB . 15154 1 1018 . 1 1 86 86 VAL HG11 H 1 0.686 0.015 . 1 1 . . . 461 VAL HG1 . 15154 1 1019 . 1 1 86 86 VAL HG12 H 1 0.686 0.015 . 1 1 . . . 461 VAL HG1 . 15154 1 1020 . 1 1 86 86 VAL HG13 H 1 0.686 0.015 . 1 1 . . . 461 VAL HG1 . 15154 1 1021 . 1 1 86 86 VAL HG21 H 1 0.739 0.015 . 1 1 . . . 461 VAL HG2 . 15154 1 1022 . 1 1 86 86 VAL HG22 H 1 0.739 0.015 . 1 1 . . . 461 VAL HG2 . 15154 1 1023 . 1 1 86 86 VAL HG23 H 1 0.739 0.015 . 1 1 . . . 461 VAL HG2 . 15154 1 1024 . 1 1 86 86 VAL C C 13 176.954 0.010 . 1 1 . . . 461 VAL C . 15154 1 1025 . 1 1 86 86 VAL CA C 13 62.724 0.031 . 1 1 . . . 461 VAL CA . 15154 1 1026 . 1 1 86 86 VAL CB C 13 32.112 0.055 . 1 1 . . . 461 VAL CB . 15154 1 1027 . 1 1 86 86 VAL CG1 C 13 21.188 0.010 . 1 1 . . . 461 VAL CG1 . 15154 1 1028 . 1 1 86 86 VAL CG2 C 13 21.588 0.010 . 1 1 . . . 461 VAL CG2 . 15154 1 1029 . 1 1 86 86 VAL N N 15 123.788 0.018 . 1 1 . . . 461 VAL N . 15154 1 1030 . 1 1 87 87 VAL H H 1 9.028 0.016 . 1 1 . . . 462 VAL H . 15154 1 1031 . 1 1 87 87 VAL HA H 1 5.139 0.017 . 1 1 . . . 462 VAL HA . 15154 1 1032 . 1 1 87 87 VAL HB H 1 1.685 0.015 . 1 1 . . . 462 VAL HB . 15154 1 1033 . 1 1 87 87 VAL HG11 H 1 0.666 0.012 . 1 1 . . . 462 VAL HG1 . 15154 1 1034 . 1 1 87 87 VAL HG12 H 1 0.666 0.012 . 1 1 . . . 462 VAL HG1 . 15154 1 1035 . 1 1 87 87 VAL HG13 H 1 0.666 0.012 . 1 1 . . . 462 VAL HG1 . 15154 1 1036 . 1 1 87 87 VAL HG21 H 1 0.692 0.015 . 1 1 . . . 462 VAL HG2 . 15154 1 1037 . 1 1 87 87 VAL HG22 H 1 0.692 0.015 . 1 1 . . . 462 VAL HG2 . 15154 1 1038 . 1 1 87 87 VAL HG23 H 1 0.692 0.015 . 1 1 . . . 462 VAL HG2 . 15154 1 1039 . 1 1 87 87 VAL C C 13 174.171 0.010 . 1 1 . . . 462 VAL C . 15154 1 1040 . 1 1 87 87 VAL CA C 13 57.976 0.031 . 1 1 . . . 462 VAL CA . 15154 1 1041 . 1 1 87 87 VAL CB C 13 34.871 0.033 . 1 1 . . . 462 VAL CB . 15154 1 1042 . 1 1 87 87 VAL CG1 C 13 21.189 0.016 . 1 1 . . . 462 VAL CG1 . 15154 1 1043 . 1 1 87 87 VAL CG2 C 13 20.205 0.016 . 1 1 . . . 462 VAL CG2 . 15154 1 1044 . 1 1 87 87 VAL N N 15 123.157 0.014 . 1 1 . . . 462 VAL N . 15154 1 1045 . 1 1 88 88 ARG H H 1 9.399 0.017 . 1 1 . . . 463 ARG H . 15154 1 1046 . 1 1 88 88 ARG HA H 1 5.054 0.016 . 1 1 . . . 463 ARG HA . 15154 1 1047 . 1 1 88 88 ARG HB2 H 1 1.547 0.013 . 2 1 . . . 463 ARG HB2 . 15154 1 1048 . 1 1 88 88 ARG HB3 H 1 1.766 0.011 . 2 1 . . . 463 ARG HB3 . 15154 1 1049 . 1 1 88 88 ARG HG2 H 1 1.343 0.014 . 2 1 . . . 463 ARG HG2 . 15154 1 1050 . 1 1 88 88 ARG HG3 H 1 1.443 0.013 . 2 1 . . . 463 ARG HG3 . 15154 1 1051 . 1 1 88 88 ARG HD2 H 1 2.968 0.011 . 2 1 . . . 463 ARG HD2 . 15154 1 1052 . 1 1 88 88 ARG HD3 H 1 3.055 0.010 . 2 1 . . . 463 ARG HD3 . 15154 1 1053 . 1 1 88 88 ARG HE H 1 7.861 0.011 . 1 1 . . . 463 ARG HE . 15154 1 1054 . 1 1 88 88 ARG C C 13 174.876 0.010 . 1 1 . . . 463 ARG C . 15154 1 1055 . 1 1 88 88 ARG CA C 13 53.594 0.011 . 1 1 . . . 463 ARG CA . 15154 1 1056 . 1 1 88 88 ARG CB C 13 29.986 0.019 . 1 1 . . . 463 ARG CB . 15154 1 1057 . 1 1 88 88 ARG CG C 13 26.335 0.043 . 1 1 . . . 463 ARG CG . 15154 1 1058 . 1 1 88 88 ARG CD C 13 41.585 0.054 . 1 1 . . . 463 ARG CD . 15154 1 1059 . 1 1 88 88 ARG N N 15 124.758 0.012 . 1 1 . . . 463 ARG N . 15154 1 1060 . 1 1 88 88 ARG NE N 15 83.310 0.013 . 1 1 . . . 463 ARG NE . 15154 1 1061 . 1 1 89 89 ARG H H 1 8.869 0.014 . 1 1 . . . 464 ARG H . 15154 1 1062 . 1 1 89 89 ARG HA H 1 4.581 0.014 . 1 1 . . . 464 ARG HA . 15154 1 1063 . 1 1 89 89 ARG HB2 H 1 1.589 0.017 . 1 1 . . . 464 ARG HB2 . 15154 1 1064 . 1 1 89 89 ARG HB3 H 1 1.589 0.017 . 1 1 . . . 464 ARG HB3 . 15154 1 1065 . 1 1 89 89 ARG HG2 H 1 1.399 0.012 . 2 1 . . . 464 ARG HG2 . 15154 1 1066 . 1 1 89 89 ARG HG3 H 1 1.506 0.017 . 2 1 . . . 464 ARG HG3 . 15154 1 1067 . 1 1 89 89 ARG HD2 H 1 2.874 0.016 . 2 1 . . . 464 ARG HD2 . 15154 1 1068 . 1 1 89 89 ARG HD3 H 1 3.138 0.013 . 2 1 . . . 464 ARG HD3 . 15154 1 1069 . 1 1 89 89 ARG C C 13 176.529 0.010 . 1 1 . . . 464 ARG C . 15154 1 1070 . 1 1 89 89 ARG CA C 13 54.659 0.010 . 1 1 . . . 464 ARG CA . 15154 1 1071 . 1 1 89 89 ARG CB C 13 32.283 0.010 . 1 1 . . . 464 ARG CB . 15154 1 1072 . 1 1 89 89 ARG CG C 13 25.364 0.073 . 1 1 . . . 464 ARG CG . 15154 1 1073 . 1 1 89 89 ARG CD C 13 43.435 0.050 . 1 1 . . . 464 ARG CD . 15154 1 1074 . 1 1 89 89 ARG N N 15 132.279 0.026 . 1 1 . . . 464 ARG N . 15154 1 1075 . 1 1 90 90 GLY H H 1 8.908 0.036 . 1 1 . . . 465 GLY H . 15154 1 1076 . 1 1 90 90 GLY HA2 H 1 3.797 0.012 . 2 1 . . . 465 GLY HA2 . 15154 1 1077 . 1 1 90 90 GLY HA3 H 1 3.462 0.010 . 2 1 . . . 465 GLY HA3 . 15154 1 1078 . 1 1 90 90 GLY C C 13 173.804 0.010 . 1 1 . . . 465 GLY C . 15154 1 1079 . 1 1 90 90 GLY CA C 13 47.091 0.010 . 1 1 . . . 465 GLY CA . 15154 1 1080 . 1 1 90 90 GLY N N 15 118.113 0.018 . 1 1 . . . 465 GLY N . 15154 1 1081 . 1 1 91 91 ASN H H 1 8.683 0.038 . 1 1 . . . 466 ASN H . 15154 1 1082 . 1 1 91 91 ASN HA H 1 4.707 0.016 . 1 1 . . . 466 ASN HA . 15154 1 1083 . 1 1 91 91 ASN HB2 H 1 2.721 0.016 . 2 1 . . . 466 ASN HB2 . 15154 1 1084 . 1 1 91 91 ASN HB3 H 1 2.837 0.014 . 2 1 . . . 466 ASN HB3 . 15154 1 1085 . 1 1 91 91 ASN HD21 H 1 7.513 0.011 . 2 1 . . . 466 ASN HD21 . 15154 1 1086 . 1 1 91 91 ASN HD22 H 1 6.845 0.010 . 2 1 . . . 466 ASN HD22 . 15154 1 1087 . 1 1 91 91 ASN C C 13 174.601 0.010 . 1 1 . . . 466 ASN C . 15154 1 1088 . 1 1 91 91 ASN CA C 13 52.693 0.049 . 1 1 . . . 466 ASN CA . 15154 1 1089 . 1 1 91 91 ASN CB C 13 38.975 0.013 . 1 1 . . . 466 ASN CB . 15154 1 1090 . 1 1 91 91 ASN N N 15 124.278 0.016 . 1 1 . . . 466 ASN N . 15154 1 1091 . 1 1 91 91 ASN ND2 N 15 112.264 0.049 . 1 1 . . . 466 ASN ND2 . 15154 1 1092 . 1 1 92 92 GLU H H 1 7.759 0.016 . 1 1 . . . 467 GLU H . 15154 1 1093 . 1 1 92 92 GLU HA H 1 4.556 0.012 . 1 1 . . . 467 GLU HA . 15154 1 1094 . 1 1 92 92 GLU HB2 H 1 1.899 0.018 . 1 1 . . . 467 GLU HB2 . 15154 1 1095 . 1 1 92 92 GLU HB3 H 1 1.899 0.018 . 1 1 . . . 467 GLU HB3 . 15154 1 1096 . 1 1 92 92 GLU HG2 H 1 2.168 0.013 . 1 1 . . . 467 GLU HG2 . 15154 1 1097 . 1 1 92 92 GLU HG3 H 1 2.168 0.013 . 1 1 . . . 467 GLU HG3 . 15154 1 1098 . 1 1 92 92 GLU C C 13 174.039 0.010 . 1 1 . . . 467 GLU C . 15154 1 1099 . 1 1 92 92 GLU CA C 13 55.242 0.011 . 1 1 . . . 467 GLU CA . 15154 1 1100 . 1 1 92 92 GLU CB C 13 33.635 0.060 . 1 1 . . . 467 GLU CB . 15154 1 1101 . 1 1 92 92 GLU CG C 13 36.089 0.010 . 1 1 . . . 467 GLU CG . 15154 1 1102 . 1 1 92 92 GLU N N 15 118.630 0.012 . 1 1 . . . 467 GLU N . 15154 1 1103 . 1 1 93 93 ASP H H 1 8.231 0.057 . 1 1 . . . 468 ASP H . 15154 1 1104 . 1 1 93 93 ASP HA H 1 5.466 0.012 . 1 1 . . . 468 ASP HA . 15154 1 1105 . 1 1 93 93 ASP HB2 H 1 2.159 0.013 . 2 1 . . . 468 ASP HB2 . 15154 1 1106 . 1 1 93 93 ASP HB3 H 1 2.410 0.012 . 2 1 . . . 468 ASP HB3 . 15154 1 1107 . 1 1 93 93 ASP C C 13 176.256 0.010 . 1 1 . . . 468 ASP C . 15154 1 1108 . 1 1 93 93 ASP CA C 13 52.945 0.011 . 1 1 . . . 468 ASP CA . 15154 1 1109 . 1 1 93 93 ASP CB C 13 40.922 0.012 . 1 1 . . . 468 ASP CB . 15154 1 1110 . 1 1 93 93 ASP N N 15 122.395 0.024 . 1 1 . . . 468 ASP N . 15154 1 1111 . 1 1 94 94 ILE H H 1 9.504 0.021 . 1 1 . . . 469 ILE H . 15154 1 1112 . 1 1 94 94 ILE HA H 1 4.396 0.013 . 1 1 . . . 469 ILE HA . 15154 1 1113 . 1 1 94 94 ILE HB H 1 1.700 0.013 . 1 1 . . . 469 ILE HB . 15154 1 1114 . 1 1 94 94 ILE HG12 H 1 1.083 0.011 . 2 1 . . . 469 ILE HG12 . 15154 1 1115 . 1 1 94 94 ILE HG13 H 1 1.210 0.014 . 2 1 . . . 469 ILE HG13 . 15154 1 1116 . 1 1 94 94 ILE HG21 H 1 0.781 0.015 . 1 1 . . . 469 ILE HG2 . 15154 1 1117 . 1 1 94 94 ILE HG22 H 1 0.781 0.015 . 1 1 . . . 469 ILE HG2 . 15154 1 1118 . 1 1 94 94 ILE HG23 H 1 0.781 0.015 . 1 1 . . . 469 ILE HG2 . 15154 1 1119 . 1 1 94 94 ILE HD11 H 1 0.704 0.012 . 1 1 . . . 469 ILE HD1 . 15154 1 1120 . 1 1 94 94 ILE HD12 H 1 0.704 0.012 . 1 1 . . . 469 ILE HD1 . 15154 1 1121 . 1 1 94 94 ILE HD13 H 1 0.704 0.012 . 1 1 . . . 469 ILE HD1 . 15154 1 1122 . 1 1 94 94 ILE C C 13 174.297 0.010 . 1 1 . . . 469 ILE C . 15154 1 1123 . 1 1 94 94 ILE CA C 13 59.398 0.041 . 1 1 . . . 469 ILE CA . 15154 1 1124 . 1 1 94 94 ILE CB C 13 40.687 0.017 . 1 1 . . . 469 ILE CB . 15154 1 1125 . 1 1 94 94 ILE CG1 C 13 27.146 0.027 . 1 1 . . . 469 ILE CG1 . 15154 1 1126 . 1 1 94 94 ILE CG2 C 13 17.154 0.057 . 1 1 . . . 469 ILE CG2 . 15154 1 1127 . 1 1 94 94 ILE CD1 C 13 12.675 0.017 . 1 1 . . . 469 ILE CD1 . 15154 1 1128 . 1 1 94 94 ILE N N 15 123.853 0.013 . 1 1 . . . 469 ILE N . 15154 1 1129 . 1 1 95 95 MET H H 1 8.345 0.053 . 1 1 . . . 470 MET H . 15154 1 1130 . 1 1 95 95 MET HA H 1 5.119 0.017 . 1 1 . . . 470 MET HA . 15154 1 1131 . 1 1 95 95 MET HB2 H 1 1.881 0.013 . 2 1 . . . 470 MET HB2 . 15154 1 1132 . 1 1 95 95 MET HB3 H 1 1.993 0.013 . 2 1 . . . 470 MET HB3 . 15154 1 1133 . 1 1 95 95 MET HG2 H 1 2.440 0.017 . 1 1 . . . 470 MET HG2 . 15154 1 1134 . 1 1 95 95 MET HG3 H 1 2.440 0.017 . 1 1 . . . 470 MET HG3 . 15154 1 1135 . 1 1 95 95 MET HE1 H 1 1.927 0.011 . 1 1 . . . 470 MET HE . 15154 1 1136 . 1 1 95 95 MET HE2 H 1 1.927 0.011 . 1 1 . . . 470 MET HE . 15154 1 1137 . 1 1 95 95 MET HE3 H 1 1.927 0.011 . 1 1 . . . 470 MET HE . 15154 1 1138 . 1 1 95 95 MET C C 13 175.611 0.010 . 1 1 . . . 470 MET C . 15154 1 1139 . 1 1 95 95 MET CA C 13 54.814 0.018 . 1 1 . . . 470 MET CA . 15154 1 1140 . 1 1 95 95 MET CB C 13 32.868 0.017 . 1 1 . . . 470 MET CB . 15154 1 1141 . 1 1 95 95 MET CG C 13 32.461 0.038 . 1 1 . . . 470 MET CG . 15154 1 1142 . 1 1 95 95 MET CE C 13 16.916 0.066 . 1 1 . . . 470 MET CE . 15154 1 1143 . 1 1 95 95 MET N N 15 124.573 0.015 . 1 1 . . . 470 MET N . 15154 1 1144 . 1 1 96 96 ILE H H 1 8.816 0.018 . 1 1 . . . 471 ILE H . 15154 1 1145 . 1 1 96 96 ILE HA H 1 4.358 0.013 . 1 1 . . . 471 ILE HA . 15154 1 1146 . 1 1 96 96 ILE HB H 1 1.539 0.012 . 1 1 . . . 471 ILE HB . 15154 1 1147 . 1 1 96 96 ILE HG12 H 1 1.152 0.018 . 1 1 . . . 471 ILE HG12 . 15154 1 1148 . 1 1 96 96 ILE HG13 H 1 1.152 0.018 . 1 1 . . . 471 ILE HG13 . 15154 1 1149 . 1 1 96 96 ILE HG21 H 1 0.591 0.013 . 1 1 . . . 471 ILE HG2 . 15154 1 1150 . 1 1 96 96 ILE HG22 H 1 0.591 0.013 . 1 1 . . . 471 ILE HG2 . 15154 1 1151 . 1 1 96 96 ILE HG23 H 1 0.591 0.013 . 1 1 . . . 471 ILE HG2 . 15154 1 1152 . 1 1 96 96 ILE HD11 H 1 0.623 0.014 . 1 1 . . . 471 ILE HD1 . 15154 1 1153 . 1 1 96 96 ILE HD12 H 1 0.623 0.014 . 1 1 . . . 471 ILE HD1 . 15154 1 1154 . 1 1 96 96 ILE HD13 H 1 0.623 0.014 . 1 1 . . . 471 ILE HD1 . 15154 1 1155 . 1 1 96 96 ILE C C 13 174.808 0.010 . 1 1 . . . 471 ILE C . 15154 1 1156 . 1 1 96 96 ILE CA C 13 58.671 0.043 . 1 1 . . . 471 ILE CA . 15154 1 1157 . 1 1 96 96 ILE CB C 13 41.758 0.018 . 1 1 . . . 471 ILE CB . 15154 1 1158 . 1 1 96 96 ILE CG1 C 13 27.045 0.010 . 1 1 . . . 471 ILE CG1 . 15154 1 1159 . 1 1 96 96 ILE CG2 C 13 17.029 0.037 . 1 1 . . . 471 ILE CG2 . 15154 1 1160 . 1 1 96 96 ILE CD1 C 13 11.728 0.011 . 1 1 . . . 471 ILE CD1 . 15154 1 1161 . 1 1 96 96 ILE N N 15 128.002 0.013 . 1 1 . . . 471 ILE N . 15154 1 1162 . 1 1 97 97 THR H H 1 9.019 0.089 . 1 1 . . . 472 THR H . 15154 1 1163 . 1 1 97 97 THR HA H 1 5.330 0.017 . 1 1 . . . 472 THR HA . 15154 1 1164 . 1 1 97 97 THR HB H 1 3.803 0.010 . 1 1 . . . 472 THR HB . 15154 1 1165 . 1 1 97 97 THR HG21 H 1 1.024 0.012 . 1 1 . . . 472 THR HG2 . 15154 1 1166 . 1 1 97 97 THR HG22 H 1 1.024 0.012 . 1 1 . . . 472 THR HG2 . 15154 1 1167 . 1 1 97 97 THR HG23 H 1 1.024 0.012 . 1 1 . . . 472 THR HG2 . 15154 1 1168 . 1 1 97 97 THR C C 13 173.983 0.010 . 1 1 . . . 472 THR C . 15154 1 1169 . 1 1 97 97 THR CA C 13 62.010 0.018 . 1 1 . . . 472 THR CA . 15154 1 1170 . 1 1 97 97 THR CB C 13 70.464 0.012 . 1 1 . . . 472 THR CB . 15154 1 1171 . 1 1 97 97 THR CG2 C 13 21.451 0.010 . 1 1 . . . 472 THR CG2 . 15154 1 1172 . 1 1 97 97 THR N N 15 125.588 0.011 . 1 1 . . . 472 THR N . 15154 1 1173 . 1 1 98 98 VAL H H 1 9.009 0.018 . 1 1 . . . 473 VAL H . 15154 1 1174 . 1 1 98 98 VAL HA H 1 4.327 0.016 . 1 1 . . . 473 VAL HA . 15154 1 1175 . 1 1 98 98 VAL HB H 1 1.704 0.020 . 1 1 . . . 473 VAL HB . 15154 1 1176 . 1 1 98 98 VAL HG11 H 1 0.596 0.016 . 1 1 . . . 473 VAL HG1 . 15154 1 1177 . 1 1 98 98 VAL HG12 H 1 0.596 0.016 . 1 1 . . . 473 VAL HG1 . 15154 1 1178 . 1 1 98 98 VAL HG13 H 1 0.596 0.016 . 1 1 . . . 473 VAL HG1 . 15154 1 1179 . 1 1 98 98 VAL HG21 H 1 0.801 0.015 . 1 1 . . . 473 VAL HG2 . 15154 1 1180 . 1 1 98 98 VAL HG22 H 1 0.801 0.015 . 1 1 . . . 473 VAL HG2 . 15154 1 1181 . 1 1 98 98 VAL HG23 H 1 0.801 0.015 . 1 1 . . . 473 VAL HG2 . 15154 1 1182 . 1 1 98 98 VAL C C 13 174.805 0.010 . 1 1 . . . 473 VAL C . 15154 1 1183 . 1 1 98 98 VAL CA C 13 60.173 0.034 . 1 1 . . . 473 VAL CA . 15154 1 1184 . 1 1 98 98 VAL CB C 13 36.005 0.018 . 1 1 . . . 473 VAL CB . 15154 1 1185 . 1 1 98 98 VAL CG1 C 13 22.062 0.045 . 1 1 . . . 473 VAL CG1 . 15154 1 1186 . 1 1 98 98 VAL CG2 C 13 22.788 0.011 . 1 1 . . . 473 VAL CG2 . 15154 1 1187 . 1 1 98 98 VAL N N 15 126.285 0.010 . 1 1 . . . 473 VAL N . 15154 1 1188 . 1 1 99 99 ILE H H 1 8.549 0.040 . 1 1 . . . 474 ILE H . 15154 1 1189 . 1 1 99 99 ILE HA H 1 4.706 0.014 . 1 1 . . . 474 ILE HA . 15154 1 1190 . 1 1 99 99 ILE HB H 1 1.906 0.010 . 1 1 . . . 474 ILE HB . 15154 1 1191 . 1 1 99 99 ILE HG12 H 1 1.247 0.012 . 2 1 . . . 474 ILE HG12 . 15154 1 1192 . 1 1 99 99 ILE HG13 H 1 1.421 0.014 . 2 1 . . . 474 ILE HG13 . 15154 1 1193 . 1 1 99 99 ILE HG21 H 1 0.942 0.012 . 1 1 . . . 474 ILE HG2 . 15154 1 1194 . 1 1 99 99 ILE HG22 H 1 0.942 0.012 . 1 1 . . . 474 ILE HG2 . 15154 1 1195 . 1 1 99 99 ILE HG23 H 1 0.942 0.012 . 1 1 . . . 474 ILE HG2 . 15154 1 1196 . 1 1 99 99 ILE HD11 H 1 0.819 0.011 . 1 1 . . . 474 ILE HD1 . 15154 1 1197 . 1 1 99 99 ILE HD12 H 1 0.819 0.011 . 1 1 . . . 474 ILE HD1 . 15154 1 1198 . 1 1 99 99 ILE HD13 H 1 0.819 0.011 . 1 1 . . . 474 ILE HD1 . 15154 1 1199 . 1 1 99 99 ILE CA C 13 56.908 0.015 . 1 1 . . . 474 ILE CA . 15154 1 1200 . 1 1 99 99 ILE CB C 13 38.014 0.010 . 1 1 . . . 474 ILE CB . 15154 1 1201 . 1 1 99 99 ILE CG1 C 13 27.208 0.030 . 1 1 . . . 474 ILE CG1 . 15154 1 1202 . 1 1 99 99 ILE CG2 C 13 17.244 0.010 . 1 1 . . . 474 ILE CG2 . 15154 1 1203 . 1 1 99 99 ILE CD1 C 13 12.531 0.010 . 1 1 . . . 474 ILE CD1 . 15154 1 1204 . 1 1 99 99 ILE N N 15 129.446 0.018 . 1 1 . . . 474 ILE N . 15154 1 1205 . 1 1 100 100 PRO HA H 1 4.190 0.014 . 1 1 . . . 475 PRO HA . 15154 1 1206 . 1 1 100 100 PRO HB2 H 1 1.746 0.010 . 2 1 . . . 475 PRO HB2 . 15154 1 1207 . 1 1 100 100 PRO HB3 H 1 1.918 0.018 . 2 1 . . . 475 PRO HB3 . 15154 1 1208 . 1 1 100 100 PRO HG2 H 1 1.561 0.014 . 2 1 . . . 475 PRO HG2 . 15154 1 1209 . 1 1 100 100 PRO HG3 H 1 2.063 0.012 . 2 1 . . . 475 PRO HG3 . 15154 1 1210 . 1 1 100 100 PRO HD2 H 1 3.750 0.017 . 2 1 . . . 475 PRO HD2 . 15154 1 1211 . 1 1 100 100 PRO HD3 H 1 3.833 0.011 . 2 1 . . . 475 PRO HD3 . 15154 1 1212 . 1 1 100 100 PRO C C 13 175.663 0.010 . 1 1 . . . 475 PRO C . 15154 1 1213 . 1 1 100 100 PRO CA C 13 62.960 0.023 . 1 1 . . . 475 PRO CA . 15154 1 1214 . 1 1 100 100 PRO CB C 13 32.898 0.026 . 1 1 . . . 475 PRO CB . 15154 1 1215 . 1 1 100 100 PRO CG C 13 27.054 0.021 . 1 1 . . . 475 PRO CG . 15154 1 1216 . 1 1 100 100 PRO CD C 13 50.665 0.058 . 1 1 . . . 475 PRO CD . 15154 1 1217 . 1 1 101 101 GLU H H 1 8.515 0.041 . 1 1 . . . 476 GLU H . 15154 1 1218 . 1 1 101 101 GLU HA H 1 4.659 0.014 . 1 1 . . . 476 GLU HA . 15154 1 1219 . 1 1 101 101 GLU HB2 H 1 1.945 0.010 . 2 1 . . . 476 GLU HB2 . 15154 1 1220 . 1 1 101 101 GLU HB3 H 1 2.056 0.010 . 2 1 . . . 476 GLU HB3 . 15154 1 1221 . 1 1 101 101 GLU HG2 H 1 2.313 0.014 . 1 1 . . . 476 GLU HG2 . 15154 1 1222 . 1 1 101 101 GLU HG3 H 1 2.313 0.014 . 1 1 . . . 476 GLU HG3 . 15154 1 1223 . 1 1 101 101 GLU C C 13 175.375 0.010 . 1 1 . . . 476 GLU C . 15154 1 1224 . 1 1 101 101 GLU CA C 13 54.219 0.029 . 1 1 . . . 476 GLU CA . 15154 1 1225 . 1 1 101 101 GLU CB C 13 32.605 0.031 . 1 1 . . . 476 GLU CB . 15154 1 1226 . 1 1 101 101 GLU CG C 13 35.832 0.010 . 1 1 . . . 476 GLU CG . 15154 1 1227 . 1 1 101 101 GLU N N 15 121.113 0.016 . 1 1 . . . 476 GLU N . 15154 1 1228 . 1 1 102 102 GLU H H 1 8.543 0.059 . 1 1 . . . 477 GLU H . 15154 1 1229 . 1 1 102 102 GLU HA H 1 4.882 0.014 . 1 1 . . . 477 GLU HA . 15154 1 1230 . 1 1 102 102 GLU HB2 H 1 1.852 0.013 . 1 1 . . . 477 GLU HB2 . 15154 1 1231 . 1 1 102 102 GLU HB3 H 1 1.852 0.013 . 1 1 . . . 477 GLU HB3 . 15154 1 1232 . 1 1 102 102 GLU HG2 H 1 1.996 0.015 . 2 1 . . . 477 GLU HG2 . 15154 1 1233 . 1 1 102 102 GLU HG3 H 1 2.230 0.013 . 2 1 . . . 477 GLU HG3 . 15154 1 1234 . 1 1 102 102 GLU C C 13 176.130 0.010 . 1 1 . . . 477 GLU C . 15154 1 1235 . 1 1 102 102 GLU CA C 13 55.681 0.065 . 1 1 . . . 477 GLU CA . 15154 1 1236 . 1 1 102 102 GLU CB C 13 31.011 0.010 . 1 1 . . . 477 GLU CB . 15154 1 1237 . 1 1 102 102 GLU CG C 13 37.044 0.025 . 1 1 . . . 477 GLU CG . 15154 1 1238 . 1 1 102 102 GLU N N 15 121.843 0.013 . 1 1 . . . 477 GLU N . 15154 1 1239 . 1 1 103 103 ILE H H 1 8.738 0.011 . 1 1 . . . 478 ILE H . 15154 1 1240 . 1 1 103 103 ILE HA H 1 4.342 0.011 . 1 1 . . . 478 ILE HA . 15154 1 1241 . 1 1 103 103 ILE HB H 1 1.649 0.017 . 1 1 . . . 478 ILE HB . 15154 1 1242 . 1 1 103 103 ILE HG12 H 1 0.841 0.011 . 2 1 . . . 478 ILE HG12 . 15154 1 1243 . 1 1 103 103 ILE HG13 H 1 1.172 0.015 . 2 1 . . . 478 ILE HG13 . 15154 1 1244 . 1 1 103 103 ILE HG21 H 1 0.688 0.012 . 1 1 . . . 478 ILE HG2 . 15154 1 1245 . 1 1 103 103 ILE HG22 H 1 0.688 0.012 . 1 1 . . . 478 ILE HG2 . 15154 1 1246 . 1 1 103 103 ILE HG23 H 1 0.688 0.012 . 1 1 . . . 478 ILE HG2 . 15154 1 1247 . 1 1 103 103 ILE HD11 H 1 0.413 0.014 . 1 1 . . . 478 ILE HD1 . 15154 1 1248 . 1 1 103 103 ILE HD12 H 1 0.413 0.014 . 1 1 . . . 478 ILE HD1 . 15154 1 1249 . 1 1 103 103 ILE HD13 H 1 0.413 0.014 . 1 1 . . . 478 ILE HD1 . 15154 1 1250 . 1 1 103 103 ILE C C 13 174.622 0.010 . 1 1 . . . 478 ILE C . 15154 1 1251 . 1 1 103 103 ILE CA C 13 60.205 0.010 . 1 1 . . . 478 ILE CA . 15154 1 1252 . 1 1 103 103 ILE CB C 13 40.964 0.018 . 1 1 . . . 478 ILE CB . 15154 1 1253 . 1 1 103 103 ILE CG1 C 13 26.817 0.035 . 1 1 . . . 478 ILE CG1 . 15154 1 1254 . 1 1 103 103 ILE CG2 C 13 17.413 0.018 . 1 1 . . . 478 ILE CG2 . 15154 1 1255 . 1 1 103 103 ILE CD1 C 13 13.275 0.064 . 1 1 . . . 478 ILE CD1 . 15154 1 1256 . 1 1 103 103 ILE N N 15 121.687 0.022 . 1 1 . . . 478 ILE N . 15154 1 1257 . 1 1 104 104 ASP H H 1 8.298 0.011 . 1 1 . . . 479 ASP H . 15154 1 1258 . 1 1 104 104 ASP HA H 1 4.860 0.012 . 1 1 . . . 479 ASP HA . 15154 1 1259 . 1 1 104 104 ASP HB2 H 1 2.382 0.013 . 2 1 . . . 479 ASP HB2 . 15154 1 1260 . 1 1 104 104 ASP HB3 H 1 2.688 0.013 . 2 1 . . . 479 ASP HB3 . 15154 1 1261 . 1 1 104 104 ASP CA C 13 52.633 0.012 . 1 1 . . . 479 ASP CA . 15154 1 1262 . 1 1 104 104 ASP CB C 13 40.575 0.010 . 1 1 . . . 479 ASP CB . 15154 1 1263 . 1 1 104 104 ASP N N 15 123.920 0.019 . 1 1 . . . 479 ASP N . 15154 1 1264 . 2 2 1 1 ASP H H 1 8.347 0.014 . 1 1 . . . 1 ASP H . 15154 1 1265 . 2 2 1 1 ASP HA H 1 4.652 0.012 . 1 1 . . . 1 ASP HA . 15154 1 1266 . 2 2 1 1 ASP HB2 H 1 2.769 0.015 . 2 1 . . . 1 ASP HB2 . 15154 1 1267 . 2 2 1 1 ASP HB3 H 1 2.788 0.010 . 2 1 . . . 1 ASP HB3 . 15154 1 1268 . 2 2 2 2 SER H H 1 8.514 0.013 . 1 1 . . . 2 SER H . 15154 1 1269 . 2 2 2 2 SER HA H 1 4.600 0.018 . 1 1 . . . 2 SER HA . 15154 1 1270 . 2 2 2 2 SER HB2 H 1 3.926 0.028 . 2 1 . . . 2 SER HB2 . 15154 1 1271 . 2 2 2 2 SER HB3 H 1 3.948 0.014 . 2 1 . . . 2 SER HB3 . 15154 1 1272 . 2 2 3 3 ARG H H 1 8.001 0.013 . 1 1 . . . 3 ARG H . 15154 1 1273 . 2 2 3 3 ARG HA H 1 4.129 0.016 . 1 1 . . . 3 ARG HA . 15154 1 1274 . 2 2 3 3 ARG HB2 H 1 1.683 0.015 . 2 1 . . . 3 ARG HB2 . 15154 1 1275 . 2 2 3 3 ARG HB3 H 1 1.819 0.019 . 2 1 . . . 3 ARG HB3 . 15154 1 1276 . 2 2 3 3 ARG HG2 H 1 1.183 0.015 . 2 1 . . . 3 ARG HG2 . 15154 1 1277 . 2 2 3 3 ARG HG3 H 1 1.413 0.014 . 2 1 . . . 3 ARG HG3 . 15154 1 1278 . 2 2 3 3 ARG HD2 H 1 2.787 0.010 . 2 1 . . . 3 ARG HD2 . 15154 1 1279 . 2 2 3 3 ARG HD3 H 1 2.751 0.010 . 2 1 . . . 3 ARG HD3 . 15154 1 1280 . 2 2 4 4 ILE H H 1 8.420 0.014 . 1 1 . . . 4 ILE H . 15154 1 1281 . 2 2 4 4 ILE HA H 1 4.619 0.014 . 1 1 . . . 4 ILE HA . 15154 1 1282 . 2 2 4 4 ILE HB H 1 1.771 0.013 . 1 1 . . . 4 ILE HB . 15154 1 1283 . 2 2 4 4 ILE HG12 H 1 1.017 0.017 . 2 1 . . . 4 ILE HG12 . 15154 1 1284 . 2 2 4 4 ILE HG13 H 1 1.709 0.013 . 2 1 . . . 4 ILE HG13 . 15154 1 1285 . 2 2 4 4 ILE HG21 H 1 0.843 0.017 . 1 1 . . . 4 ILE HG2 . 15154 1 1286 . 2 2 4 4 ILE HG22 H 1 0.843 0.017 . 1 1 . . . 4 ILE HG2 . 15154 1 1287 . 2 2 4 4 ILE HG23 H 1 0.843 0.017 . 1 1 . . . 4 ILE HG2 . 15154 1 1288 . 2 2 4 4 ILE HD11 H 1 0.339 0.015 . 1 1 . . . 4 ILE HD1 . 15154 1 1289 . 2 2 4 4 ILE HD12 H 1 0.339 0.015 . 1 1 . . . 4 ILE HD1 . 15154 1 1290 . 2 2 4 4 ILE HD13 H 1 0.339 0.015 . 1 1 . . . 4 ILE HD1 . 15154 1 1291 . 2 2 5 5 TRP H H 1 9.598 0.013 . 1 1 . . . 5 TRP H . 15154 1 1292 . 2 2 5 5 TRP HA H 1 4.690 0.015 . 1 1 . . . 5 TRP HA . 15154 1 1293 . 2 2 5 5 TRP HB2 H 1 3.008 0.017 . 2 1 . . . 5 TRP HB2 . 15154 1 1294 . 2 2 5 5 TRP HB3 H 1 3.093 0.016 . 2 1 . . . 5 TRP HB3 . 15154 1 1295 . 2 2 5 5 TRP HD1 H 1 7.362 0.017 . 1 1 . . . 5 TRP HD1 . 15154 1 1296 . 2 2 5 5 TRP HE1 H 1 10.447 0.013 . 1 1 . . . 5 TRP HE1 . 15154 1 1297 . 2 2 5 5 TRP HE3 H 1 7.451 0.018 . 1 1 . . . 5 TRP HE3 . 15154 1 1298 . 2 2 5 5 TRP HZ2 H 1 7.409 0.012 . 1 1 . . . 5 TRP HZ2 . 15154 1 1299 . 2 2 5 5 TRP HZ3 H 1 7.155 0.013 . 1 1 . . . 5 TRP HZ3 . 15154 1 1300 . 2 2 5 5 TRP HH2 H 1 7.196 0.016 . 2 1 . . . 5 TRP HH2 . 15154 1 1301 . 2 2 6 6 TRP H H 1 8.994 0.013 . 1 1 . . . 6 TRP H . 15154 1 1302 . 2 2 6 6 TRP HA H 1 5.861 0.013 . 1 1 . . . 6 TRP HA . 15154 1 1303 . 2 2 6 6 TRP HB2 H 1 3.040 0.016 . 2 1 . . . 6 TRP HB2 . 15154 1 1304 . 2 2 6 6 TRP HB3 H 1 3.489 0.014 . 2 1 . . . 6 TRP HB3 . 15154 1 1305 . 2 2 6 6 TRP HD1 H 1 7.335 0.011 . 1 1 . . . 6 TRP HD1 . 15154 1 1306 . 2 2 6 6 TRP HE1 H 1 9.930 0.011 . 1 1 . . . 6 TRP HE1 . 15154 1 1307 . 2 2 6 6 TRP HE3 H 1 7.614 0.013 . 1 1 . . . 6 TRP HE3 . 15154 1 1308 . 2 2 6 6 TRP HZ2 H 1 7.369 0.015 . 1 1 . . . 6 TRP HZ2 . 15154 1 1309 . 2 2 6 6 TRP HZ3 H 1 7.056 0.012 . 1 1 . . . 6 TRP HZ3 . 15154 1 1310 . 2 2 6 6 TRP HH2 H 1 7.106 0.013 . 2 1 . . . 6 TRP HH2 . 15154 1 1311 . 2 2 7 7 VAL H H 1 8.970 0.015 . 1 1 . . . 7 VAL H . 15154 1 1312 . 2 2 7 7 VAL HA H 1 4.640 0.016 . 1 1 . . . 7 VAL HA . 15154 1 1313 . 2 2 7 7 VAL HB H 1 2.427 0.016 . 1 1 . . . 7 VAL HB . 15154 1 1314 . 2 2 7 7 VAL HG11 H 1 1.024 0.016 . 1 1 . . . 7 VAL HG1 . 15154 1 1315 . 2 2 7 7 VAL HG12 H 1 1.024 0.016 . 1 1 . . . 7 VAL HG1 . 15154 1 1316 . 2 2 7 7 VAL HG13 H 1 1.024 0.016 . 1 1 . . . 7 VAL HG1 . 15154 1 1317 . 2 2 7 7 VAL HG21 H 1 0.642 0.017 . 1 1 . . . 7 VAL HG2 . 15154 1 1318 . 2 2 7 7 VAL HG22 H 1 0.642 0.017 . 1 1 . . . 7 VAL HG2 . 15154 1 1319 . 2 2 7 7 VAL HG23 H 1 0.642 0.017 . 1 1 . . . 7 VAL HG2 . 15154 1 stop_ save_