data_30243 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30243 _Entry.Title ; NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain 1 of p65 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-11 _Entry.Accession_date 2017-02-11 _Entry.Last_release_date 2017-02-22 _Entry.Original_release_date 2017-02-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Lecoq L. . . . 30243 2 J. Omichinski J. G. . . 30243 3 L. Raiola L. . . . 30243 4 N. Cyr N. . . . 30243 5 P. Chabot P. . . . 30243 6 G. Arseneault G. . . . 30243 7 P. Legault P. . . . 30243 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NUCLEAR FACTOR KAPPA-B' . 30243 'P62/TFB1 SUBUNIT' . 30243 'TRANSACTIVATION DOMAIN' . 30243 TRANSCRIPTION . 30243 'TRANSCRIPTION FACTOR TFIIH' . 30243 'TRANSCRIPTIONAL ACTIVATION' . 30243 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30243 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 641 30243 '15N chemical shifts' 152 30243 '1H chemical shifts' 1019 30243 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-11-27 2017-02-11 update BMRB 'update entry citation' 30243 1 . . 2017-03-01 2017-02-11 original author 'original release' 30243 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5URN 'BMRB Entry Tracking System' 30243 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30243 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkx146 _Citation.PubMed_ID 28334776 _Citation.Full_citation . _Citation.Title ; Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kB and transcription regulatory factors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 5564 _Citation.Page_last 5576 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L. Lecoq L. . . . 30243 1 2 L. Raiola L. . . . 30243 1 3 P. Chabot P. . . . 30243 1 4 N. Cyr N. . . . 30243 1 5 G. Arseneault G. . . . 30243 1 6 P. Legault P. . . . 30243 1 7 J. Omichinski J. G. . . 30243 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30243 _Assembly.ID 1 _Assembly.Name 'RNA polymerase II transcription factor B subunit 1, Transcription factor p65' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30243 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30243 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30243 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; PSHSGAAIFEKVSGIIAINE DVSPAELTWRSTDGDKVHTV VLSTIDKLQATPASSEKMML RLIGKVDESKKRKDNEGNEV VPKPQRHMFSFNNRTVMDNI KMTLQQIISRYKDAD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'PLECKSTRIN HOMOLOGY DOMAIN, UNP RESIDUES 2-115' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12903.701 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'General transcription and DNA repair factor IIH subunit TFB1' na 30243 1 'RNA polymerase II transcription factor B 73 kDa subunit' na 30243 1 'RNA polymerase II transcription factor B p73 subunit' na 30243 1 'TFIIH subunit TFB1' na 30243 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 . PRO . 30243 1 2 . SER . 30243 1 3 . HIS . 30243 1 4 . SER . 30243 1 5 . GLY . 30243 1 6 . ALA . 30243 1 7 . ALA . 30243 1 8 . ILE . 30243 1 9 . PHE . 30243 1 10 . GLU . 30243 1 11 . LYS . 30243 1 12 . VAL . 30243 1 13 . SER . 30243 1 14 . GLY . 30243 1 15 . ILE . 30243 1 16 . ILE . 30243 1 17 . ALA . 30243 1 18 . ILE . 30243 1 19 . ASN . 30243 1 20 . GLU . 30243 1 21 . ASP . 30243 1 22 . VAL . 30243 1 23 . SER . 30243 1 24 . PRO . 30243 1 25 . ALA . 30243 1 26 . GLU . 30243 1 27 . LEU . 30243 1 28 . THR . 30243 1 29 . TRP . 30243 1 30 . ARG . 30243 1 31 . SER . 30243 1 32 . THR . 30243 1 33 . ASP . 30243 1 34 . GLY . 30243 1 35 . ASP . 30243 1 36 . LYS . 30243 1 37 . VAL . 30243 1 38 . HIS . 30243 1 39 . THR . 30243 1 40 . VAL . 30243 1 41 . VAL . 30243 1 42 . LEU . 30243 1 43 . SER . 30243 1 44 . THR . 30243 1 45 . ILE . 30243 1 46 . ASP . 30243 1 47 . LYS . 30243 1 48 . LEU . 30243 1 49 . GLN . 30243 1 50 . ALA . 30243 1 51 . THR . 30243 1 52 . PRO . 30243 1 53 . ALA . 30243 1 54 . SER . 30243 1 55 . SER . 30243 1 56 . GLU . 30243 1 57 . LYS . 30243 1 58 . MET . 30243 1 59 . MET . 30243 1 60 . LEU . 30243 1 61 . ARG . 30243 1 62 . LEU . 30243 1 63 . ILE . 30243 1 64 . GLY . 30243 1 65 . LYS . 30243 1 66 . VAL . 30243 1 67 . ASP . 30243 1 68 . GLU . 30243 1 69 . SER . 30243 1 70 . LYS . 30243 1 71 . LYS . 30243 1 72 . ARG . 30243 1 73 . LYS . 30243 1 74 . ASP . 30243 1 75 . ASN . 30243 1 76 . GLU . 30243 1 77 . GLY . 30243 1 78 . ASN . 30243 1 79 . GLU . 30243 1 80 . VAL . 30243 1 81 . VAL . 30243 1 82 . PRO . 30243 1 83 . LYS . 30243 1 84 . PRO . 30243 1 85 . GLN . 30243 1 86 . ARG . 30243 1 87 . HIS . 30243 1 88 . MET . 30243 1 89 . PHE . 30243 1 90 . SER . 30243 1 91 . PHE . 30243 1 92 . ASN . 30243 1 93 . ASN . 30243 1 94 . ARG . 30243 1 95 . THR . 30243 1 96 . VAL . 30243 1 97 . MET . 30243 1 98 . ASP . 30243 1 99 . ASN . 30243 1 100 . ILE . 30243 1 101 . LYS . 30243 1 102 . MET . 30243 1 103 . THR . 30243 1 104 . LEU . 30243 1 105 . GLN . 30243 1 106 . GLN . 30243 1 107 . ILE . 30243 1 108 . ILE . 30243 1 109 . SER . 30243 1 110 . ARG . 30243 1 111 . TYR . 30243 1 112 . LYS . 30243 1 113 . ASP . 30243 1 114 . ALA . 30243 1 115 . ASP . 30243 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 . PRO 1 1 30243 1 . SER 2 2 30243 1 . HIS 3 3 30243 1 . SER 4 4 30243 1 . GLY 5 5 30243 1 . ALA 6 6 30243 1 . ALA 7 7 30243 1 . ILE 8 8 30243 1 . PHE 9 9 30243 1 . GLU 10 10 30243 1 . LYS 11 11 30243 1 . VAL 12 12 30243 1 . SER 13 13 30243 1 . GLY 14 14 30243 1 . ILE 15 15 30243 1 . ILE 16 16 30243 1 . ALA 17 17 30243 1 . ILE 18 18 30243 1 . ASN 19 19 30243 1 . GLU 20 20 30243 1 . ASP 21 21 30243 1 . VAL 22 22 30243 1 . SER 23 23 30243 1 . PRO 24 24 30243 1 . ALA 25 25 30243 1 . GLU 26 26 30243 1 . LEU 27 27 30243 1 . THR 28 28 30243 1 . TRP 29 29 30243 1 . ARG 30 30 30243 1 . SER 31 31 30243 1 . THR 32 32 30243 1 . ASP 33 33 30243 1 . GLY 34 34 30243 1 . ASP 35 35 30243 1 . LYS 36 36 30243 1 . VAL 37 37 30243 1 . HIS 38 38 30243 1 . THR 39 39 30243 1 . VAL 40 40 30243 1 . VAL 41 41 30243 1 . LEU 42 42 30243 1 . SER 43 43 30243 1 . THR 44 44 30243 1 . ILE 45 45 30243 1 . ASP 46 46 30243 1 . LYS 47 47 30243 1 . LEU 48 48 30243 1 . GLN 49 49 30243 1 . ALA 50 50 30243 1 . THR 51 51 30243 1 . PRO 52 52 30243 1 . ALA 53 53 30243 1 . SER 54 54 30243 1 . SER 55 55 30243 1 . GLU 56 56 30243 1 . LYS 57 57 30243 1 . MET 58 58 30243 1 . MET 59 59 30243 1 . LEU 60 60 30243 1 . ARG 61 61 30243 1 . LEU 62 62 30243 1 . ILE 63 63 30243 1 . GLY 64 64 30243 1 . LYS 65 65 30243 1 . VAL 66 66 30243 1 . ASP 67 67 30243 1 . GLU 68 68 30243 1 . SER 69 69 30243 1 . LYS 70 70 30243 1 . LYS 71 71 30243 1 . ARG 72 72 30243 1 . LYS 73 73 30243 1 . ASP 74 74 30243 1 . ASN 75 75 30243 1 . GLU 76 76 30243 1 . GLY 77 77 30243 1 . ASN 78 78 30243 1 . GLU 79 79 30243 1 . VAL 80 80 30243 1 . VAL 81 81 30243 1 . PRO 82 82 30243 1 . LYS 83 83 30243 1 . PRO 84 84 30243 1 . GLN 85 85 30243 1 . ARG 86 86 30243 1 . HIS 87 87 30243 1 . MET 88 88 30243 1 . PHE 89 89 30243 1 . SER 90 90 30243 1 . PHE 91 91 30243 1 . ASN 92 92 30243 1 . ASN 93 93 30243 1 . ARG 94 94 30243 1 . THR 95 95 30243 1 . VAL 96 96 30243 1 . MET 97 97 30243 1 . ASP 98 98 30243 1 . ASN 99 99 30243 1 . ILE 100 100 30243 1 . LYS 101 101 30243 1 . MET 102 102 30243 1 . THR 103 103 30243 1 . LEU 104 104 30243 1 . GLN 105 105 30243 1 . GLN 106 106 30243 1 . ILE 107 107 30243 1 . ILE 108 108 30243 1 . SER 109 109 30243 1 . ARG 110 110 30243 1 . TYR 111 111 30243 1 . LYS 112 112 30243 1 . ASP 113 113 30243 1 . ALA 114 114 30243 1 . ASP 115 115 30243 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30243 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GSPGYPNGLLSGDEDFSSIA DMDFSALLSQISS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'TRANSACTIVATION DOMAIN 1, UNP RESIDUES 521-551' _Entity.Mutation L523Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3378.591 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first GS residues come from a purification TAG.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Nuclear factor NF-kappa-B p65 subunit' na 30243 2 'Nuclear factor of kappa light polypeptide gene enhancer in B-cells 3' na 30243 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 1 519 GLY . 30243 2 2 520 SER . 30243 2 3 521 PRO . 30243 2 4 522 GLY . 30243 2 5 523 TYR . 30243 2 6 524 PRO . 30243 2 7 525 ASN . 30243 2 8 526 GLY . 30243 2 9 527 LEU . 30243 2 10 528 LEU . 30243 2 11 529 SER . 30243 2 12 530 GLY . 30243 2 13 531 ASP . 30243 2 14 532 GLU . 30243 2 15 533 ASP . 30243 2 16 534 PHE . 30243 2 17 535 SER . 30243 2 18 536 SER . 30243 2 19 537 ILE . 30243 2 20 538 ALA . 30243 2 21 539 ASP . 30243 2 22 540 MET . 30243 2 23 541 ASP . 30243 2 24 542 PHE . 30243 2 25 543 SER . 30243 2 26 544 ALA . 30243 2 27 545 LEU . 30243 2 28 546 LEU . 30243 2 29 547 SER . 30243 2 30 548 GLN . 30243 2 31 549 ILE . 30243 2 32 550 SER . 30243 2 33 551 SER . 30243 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 . GLY 1 1 30243 2 . SER 2 2 30243 2 . PRO 3 3 30243 2 . GLY 4 4 30243 2 . TYR 5 5 30243 2 . PRO 6 6 30243 2 . ASN 7 7 30243 2 . GLY 8 8 30243 2 . LEU 9 9 30243 2 . LEU 10 10 30243 2 . SER 11 11 30243 2 . GLY 12 12 30243 2 . ASP 13 13 30243 2 . GLU 14 14 30243 2 . ASP 15 15 30243 2 . PHE 16 16 30243 2 . SER 17 17 30243 2 . SER 18 18 30243 2 . ILE 19 19 30243 2 . ALA 20 20 30243 2 . ASP 21 21 30243 2 . MET 22 22 30243 2 . ASP 23 23 30243 2 . PHE 24 24 30243 2 . SER 25 25 30243 2 . ALA 26 26 30243 2 . LEU 27 27 30243 2 . LEU 28 28 30243 2 . SER 29 29 30243 2 . GLN 30 30 30243 2 . ILE 31 31 30243 2 . SER 32 32 30243 2 . SER 33 33 30243 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 30243 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' . . . . . . . . . . 'TFB1, YDR311W, D9740.3' . 30243 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'RELA, NFKB3' . 30243 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 30243 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . PGEX-TEV . . . 30243 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . PGEX-TEV . . . 30243 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30243 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-99% 13C; U-99% 15N] RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 1.6 mM TRANSCRIPTION FACTOR P65, 100% D2O ; _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 'RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 30243 3 2 'TRANSCRIPTION FACTOR P65' 'natural abundance' . . 2 $entity_2 . . 1.6 . . mM . . . . 30243 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30243 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-99% 13C; U-99% 15N] TRANSCRIPTION FACTOR P65, 1.6 mM RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 100% D2O ; _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 'RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1' 'natural abundance' . . 1 $entity_1 . . 1.6 . . mM . . . . 30243 4 2 'TRANSCRIPTION FACTOR P65' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.8 . . mM . . . . 30243 4 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30243 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-99% 13C; U-99% 15N] RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 1.6 mM TRANSCRIPTION FACTOR P65, 90% H2O/10% D2O ; _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 'RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 30243 1 2 'TRANSCRIPTION FACTOR P65' 'natural abundance' . . 2 $entity_2 . . 1.6 . . mM . . . . 30243 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30243 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-99% 13C; U-99% 15N] TRANSCRIPTION FACTOR P65, 1.6 mM RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1, 90% H2O/10% D2O ; _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 'RNA POLYMERASE II TRANSCRIPTION FACTOR B SUBUNIT 1' 'natural abundance' . . 1 $entity_1 . . 1.6 . . mM . . . . 30243 2 2 'TRANSCRIPTION FACTOR P65' '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 0.8 . . mM . . . . 30243 2 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 30243 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 30243 1 pH 6.5 . pH 30243 1 pressure 1 . atm 30243 1 temperature 298 . K 30243 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30243 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30243 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30243 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30243 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 30243 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30243 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30243 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30243 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30243 3 'peak picking' 30243 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30243 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30243 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30243 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30243 _Software.ID 5 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30243 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30243 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30243 _Software.ID 6 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Krieger et al' . . 30243 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30243 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30243 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30243 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 30243 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 VARIAN INOVA . 600 . . . 30243 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 30243 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 30243 _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 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 2 '2D 1H-13C HSQC ALIPHATIC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30243 1 3 '2D 1H-13C HSQC AROMATIC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30243 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 8 '3D 1H- 15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30243 1 10 '3D INTERMOLECULAR NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30243 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 13 '2D 1H-13C HSQC ALIPHATIC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 14 '2D 1H-13C HSQC AROMATIC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 15 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 16 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 17 '3D 1H- 15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30243 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30243 1 19 '3D INTERMOLECULAR NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30243 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30243 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30243 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30243 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30243 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30243 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Chemical shifts of chain A Tfb1 and chain B p65 TA1' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30243 1 2 '2D 1H-13C HSQC ALIPHATIC' . . . 30243 1 3 '2D 1H-13C HSQC AROMATIC' . . . 30243 1 4 '3D HNCO' . . . 30243 1 5 '3D HNCACB' . . . 30243 1 6 '3D HBHA(CO)NH' . . . 30243 1 7 '3D HCCH-TOCSY' . . . 30243 1 8 '3D 1H- 15N NOESY' . . . 30243 1 9 '3D 1H-13C NOESY' . . . 30243 1 10 '3D INTERMOLECULAR NOESY' . . . 30243 1 11 '3D C(CO)NH' . . . 30243 1 12 '2D 1H-15N HSQC' . . . 30243 1 13 '2D 1H-13C HSQC ALIPHATIC' . . . 30243 1 14 '2D 1H-13C HSQC AROMATIC' . . . 30243 1 15 '3D HNCO' . . . 30243 1 16 '3D HNCACB' . . . 30243 1 17 '3D 1H- 15N NOESY' . . . 30243 1 18 '3D 1H-13C NOESY' . . . 30243 1 19 '3D INTERMOLECULAR NOESY' . . . 30243 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO HA H 1 4.579 0.000 . 1 . . . . A 1 PRO HA . 30243 1 2 . 1 1 1 1 PRO HB2 H 1 1.553 0.000 . 2 . . . . A 1 PRO HB2 . 30243 1 3 . 1 1 1 1 PRO HB3 H 1 1.109 0.000 . 2 . . . . A 1 PRO HB3 . 30243 1 4 . 1 1 1 1 PRO C C 13 176.877 0.000 . 1 . . . . A 1 PRO C . 30243 1 5 . 1 1 1 1 PRO CA C 13 63.978 0.035 . 1 . . . . A 1 PRO CA . 30243 1 6 . 1 1 1 1 PRO CB C 13 32.404 0.000 . 1 . . . . A 1 PRO CB . 30243 1 7 . 1 1 1 1 PRO CG C 13 27.563 0.000 . 1 . . . . A 1 PRO CG . 30243 1 8 . 1 1 2 2 SER H H 1 8.070 0.009 . 1 . . . . A 2 SER H . 30243 1 9 . 1 1 2 2 SER HA H 1 4.303 0.000 . 1 . . . . A 2 SER HA . 30243 1 10 . 1 1 2 2 SER CA C 13 58.946 0.000 . 1 . . . . A 2 SER CA . 30243 1 11 . 1 1 2 2 SER CB C 13 63.289 0.000 . 1 . . . . A 2 SER CB . 30243 1 12 . 1 1 2 2 SER N N 15 113.111 0.034 . 1 . . . . A 2 SER N . 30243 1 13 . 1 1 3 3 HIS HA H 1 4.644 0.002 . 1 . . . . A 3 HIS HA . 30243 1 14 . 1 1 3 3 HIS HB2 H 1 2.970 0.003 . 2 . . . . A 3 HIS HB2 . 30243 1 15 . 1 1 3 3 HIS HB3 H 1 3.585 0.005 . 2 . . . . A 3 HIS HB3 . 30243 1 16 . 1 1 3 3 HIS HD2 H 1 7.021 0.000 . 1 . . . . A 3 HIS HD2 . 30243 1 17 . 1 1 3 3 HIS HE1 H 1 7.992 0.000 . 1 . . . . A 3 HIS HE1 . 30243 1 18 . 1 1 3 3 HIS C C 13 173.974 0.000 . 1 . . . . A 3 HIS C . 30243 1 19 . 1 1 3 3 HIS CA C 13 56.397 0.000 . 1 . . . . A 3 HIS CA . 30243 1 20 . 1 1 3 3 HIS CB C 13 31.445 0.026 . 1 . . . . A 3 HIS CB . 30243 1 21 . 1 1 3 3 HIS CD2 C 13 118.119 0.000 . 1 . . . . A 3 HIS CD2 . 30243 1 22 . 1 1 3 3 HIS CE1 C 13 138.135 0.000 . 1 . . . . A 3 HIS CE1 . 30243 1 23 . 1 1 4 4 SER H H 1 7.839 0.004 . 1 . . . . A 4 SER H . 30243 1 24 . 1 1 4 4 SER HA H 1 5.457 0.004 . 1 . . . . A 4 SER HA . 30243 1 25 . 1 1 4 4 SER HB2 H 1 3.862 0.007 . 2 . . . . A 4 SER HB2 . 30243 1 26 . 1 1 4 4 SER HB3 H 1 3.861 0.006 . 2 . . . . A 4 SER HB3 . 30243 1 27 . 1 1 4 4 SER C C 13 173.573 0.000 . 1 . . . . A 4 SER C . 30243 1 28 . 1 1 4 4 SER CA C 13 56.838 0.000 . 1 . . . . A 4 SER CA . 30243 1 29 . 1 1 4 4 SER CB C 13 65.942 0.001 . 1 . . . . A 4 SER CB . 30243 1 30 . 1 1 4 4 SER N N 15 113.605 0.010 . 1 . . . . A 4 SER N . 30243 1 31 . 1 1 5 5 GLY H H 1 8.362 0.004 . 1 . . . . A 5 GLY H . 30243 1 32 . 1 1 5 5 GLY HA2 H 1 4.236 0.004 . 2 . . . . A 5 GLY HA2 . 30243 1 33 . 1 1 5 5 GLY HA3 H 1 4.095 0.007 . 2 . . . . A 5 GLY HA3 . 30243 1 34 . 1 1 5 5 GLY C C 13 170.978 0.000 . 1 . . . . A 5 GLY C . 30243 1 35 . 1 1 5 5 GLY CA C 13 45.302 0.009 . 1 . . . . A 5 GLY CA . 30243 1 36 . 1 1 5 5 GLY N N 15 107.049 0.019 . 1 . . . . A 5 GLY N . 30243 1 37 . 1 1 6 6 ALA H H 1 8.642 0.002 . 1 . . . . A 6 ALA H . 30243 1 38 . 1 1 6 6 ALA HA H 1 4.940 0.000 . 1 . . . . A 6 ALA HA . 30243 1 39 . 1 1 6 6 ALA HB1 H 1 1.538 0.001 . 1 . . . . A 6 ALA HB1 . 30243 1 40 . 1 1 6 6 ALA HB2 H 1 1.538 0.001 . 1 . . . . A 6 ALA HB2 . 30243 1 41 . 1 1 6 6 ALA HB3 H 1 1.538 0.001 . 1 . . . . A 6 ALA HB3 . 30243 1 42 . 1 1 6 6 ALA C C 13 176.859 0.000 . 1 . . . . A 6 ALA C . 30243 1 43 . 1 1 6 6 ALA CA C 13 52.615 0.000 . 1 . . . . A 6 ALA CA . 30243 1 44 . 1 1 6 6 ALA CB C 13 19.248 0.001 . 1 . . . . A 6 ALA CB . 30243 1 45 . 1 1 6 6 ALA N N 15 125.247 0.009 . 1 . . . . A 6 ALA N . 30243 1 46 . 1 1 7 7 ALA H H 1 8.399 0.003 . 1 . . . . A 7 ALA H . 30243 1 47 . 1 1 7 7 ALA HA H 1 4.631 0.004 . 1 . . . . A 7 ALA HA . 30243 1 48 . 1 1 7 7 ALA HB1 H 1 0.990 0.007 . 1 . . . . A 7 ALA HB1 . 30243 1 49 . 1 1 7 7 ALA HB2 H 1 0.990 0.007 . 1 . . . . A 7 ALA HB2 . 30243 1 50 . 1 1 7 7 ALA HB3 H 1 0.990 0.007 . 1 . . . . A 7 ALA HB3 . 30243 1 51 . 1 1 7 7 ALA C C 13 176.669 0.000 . 1 . . . . A 7 ALA C . 30243 1 52 . 1 1 7 7 ALA CA C 13 51.614 0.000 . 1 . . . . A 7 ALA CA . 30243 1 53 . 1 1 7 7 ALA CB C 13 23.927 0.001 . 1 . . . . A 7 ALA CB . 30243 1 54 . 1 1 7 7 ALA N N 15 120.097 0.008 . 1 . . . . A 7 ALA N . 30243 1 55 . 1 1 8 8 ILE H H 1 9.340 0.003 . 1 . . . . A 8 ILE H . 30243 1 56 . 1 1 8 8 ILE HA H 1 4.956 0.008 . 1 . . . . A 8 ILE HA . 30243 1 57 . 1 1 8 8 ILE HB H 1 1.554 0.005 . 1 . . . . A 8 ILE HB . 30243 1 58 . 1 1 8 8 ILE HG12 H 1 0.958 0.006 . 2 . . . . A 8 ILE HG12 . 30243 1 59 . 1 1 8 8 ILE HG13 H 1 1.467 0.004 . 2 . . . . A 8 ILE HG13 . 30243 1 60 . 1 1 8 8 ILE HG21 H 1 0.592 0.004 . 1 . . . . A 8 ILE HG21 . 30243 1 61 . 1 1 8 8 ILE HG22 H 1 0.592 0.004 . 1 . . . . A 8 ILE HG22 . 30243 1 62 . 1 1 8 8 ILE HG23 H 1 0.592 0.004 . 1 . . . . A 8 ILE HG23 . 30243 1 63 . 1 1 8 8 ILE HD11 H 1 0.751 0.003 . 1 . . . . A 8 ILE HD11 . 30243 1 64 . 1 1 8 8 ILE HD12 H 1 0.751 0.003 . 1 . . . . A 8 ILE HD12 . 30243 1 65 . 1 1 8 8 ILE HD13 H 1 0.751 0.003 . 1 . . . . A 8 ILE HD13 . 30243 1 66 . 1 1 8 8 ILE C C 13 175.248 0.000 . 1 . . . . A 8 ILE C . 30243 1 67 . 1 1 8 8 ILE CA C 13 59.739 0.003 . 1 . . . . A 8 ILE CA . 30243 1 68 . 1 1 8 8 ILE CB C 13 39.334 0.001 . 1 . . . . A 8 ILE CB . 30243 1 69 . 1 1 8 8 ILE CG1 C 13 28.675 0.022 . 1 . . . . A 8 ILE CG1 . 30243 1 70 . 1 1 8 8 ILE CG2 C 13 17.176 0.000 . 1 . . . . A 8 ILE CG2 . 30243 1 71 . 1 1 8 8 ILE CD1 C 13 13.416 0.000 . 1 . . . . A 8 ILE CD1 . 30243 1 72 . 1 1 8 8 ILE N N 15 125.544 0.032 . 1 . . . . A 8 ILE N . 30243 1 73 . 1 1 9 9 PHE H H 1 8.475 0.002 . 1 . . . . A 9 PHE H . 30243 1 74 . 1 1 9 9 PHE HA H 1 4.310 0.000 . 1 . . . . A 9 PHE HA . 30243 1 75 . 1 1 9 9 PHE HB2 H 1 0.308 0.004 . 2 . . . . A 9 PHE HB2 . 30243 1 76 . 1 1 9 9 PHE HB3 H 1 1.126 0.004 . 2 . . . . A 9 PHE HB3 . 30243 1 77 . 1 1 9 9 PHE HD1 H 1 6.141 0.002 . 3 . . . . A 9 PHE HD1 . 30243 1 78 . 1 1 9 9 PHE HD2 H 1 6.141 0.002 . 3 . . . . A 9 PHE HD2 . 30243 1 79 . 1 1 9 9 PHE HE1 H 1 6.559 0.004 . 3 . . . . A 9 PHE HE1 . 30243 1 80 . 1 1 9 9 PHE HE2 H 1 6.559 0.004 . 3 . . . . A 9 PHE HE2 . 30243 1 81 . 1 1 9 9 PHE HZ H 1 6.317 0.000 . 1 . . . . A 9 PHE HZ . 30243 1 82 . 1 1 9 9 PHE C C 13 174.028 0.000 . 1 . . . . A 9 PHE C . 30243 1 83 . 1 1 9 9 PHE CA C 13 55.912 0.000 . 1 . . . . A 9 PHE CA . 30243 1 84 . 1 1 9 9 PHE CB C 13 39.418 0.003 . 1 . . . . A 9 PHE CB . 30243 1 85 . 1 1 9 9 PHE CD1 C 13 131.712 0.000 . 3 . . . . A 9 PHE CD1 . 30243 1 86 . 1 1 9 9 PHE CD2 C 13 131.712 0.000 . 3 . . . . A 9 PHE CD2 . 30243 1 87 . 1 1 9 9 PHE CE1 C 13 129.820 0.000 . 3 . . . . A 9 PHE CE1 . 30243 1 88 . 1 1 9 9 PHE CE2 C 13 129.820 0.000 . 3 . . . . A 9 PHE CE2 . 30243 1 89 . 1 1 9 9 PHE CZ C 13 128.576 0.000 . 1 . . . . A 9 PHE CZ . 30243 1 90 . 1 1 9 9 PHE N N 15 128.883 0.014 . 1 . . . . A 9 PHE N . 30243 1 91 . 1 1 10 10 GLU H H 1 8.773 0.002 . 1 . . . . A 10 GLU H . 30243 1 92 . 1 1 10 10 GLU HA H 1 3.164 0.001 . 1 . . . . A 10 GLU HA . 30243 1 93 . 1 1 10 10 GLU HB2 H 1 1.560 0.007 . 2 . . . . A 10 GLU HB2 . 30243 1 94 . 1 1 10 10 GLU HB3 H 1 1.203 0.004 . 2 . . . . A 10 GLU HB3 . 30243 1 95 . 1 1 10 10 GLU HG2 H 1 0.694 0.009 . 2 . . . . A 10 GLU HG2 . 30243 1 96 . 1 1 10 10 GLU HG3 H 1 0.913 0.007 . 2 . . . . A 10 GLU HG3 . 30243 1 97 . 1 1 10 10 GLU CA C 13 56.672 0.000 . 1 . . . . A 10 GLU CA . 30243 1 98 . 1 1 10 10 GLU CB C 13 26.672 0.005 . 1 . . . . A 10 GLU CB . 30243 1 99 . 1 1 10 10 GLU CG C 13 35.119 0.000 . 1 . . . . A 10 GLU CG . 30243 1 100 . 1 1 10 10 GLU N N 15 126.420 0.008 . 1 . . . . A 10 GLU N . 30243 1 101 . 1 1 11 11 LYS H H 1 7.916 0.002 . 1 . . . . A 11 LYS H . 30243 1 102 . 1 1 11 11 LYS HA H 1 3.383 0.003 . 1 . . . . A 11 LYS HA . 30243 1 103 . 1 1 11 11 LYS HB2 H 1 1.943 0.007 . 2 . . . . A 11 LYS HB2 . 30243 1 104 . 1 1 11 11 LYS HB3 H 1 2.158 0.004 . 2 . . . . A 11 LYS HB3 . 30243 1 105 . 1 1 11 11 LYS HG2 H 1 1.153 0.018 . 2 . . . . A 11 LYS HG2 . 30243 1 106 . 1 1 11 11 LYS HG3 H 1 1.171 0.000 . 2 . . . . A 11 LYS HG3 . 30243 1 107 . 1 1 11 11 LYS HD2 H 1 1.611 0.000 . 2 . . . . A 11 LYS HD2 . 30243 1 108 . 1 1 11 11 LYS HD3 H 1 1.533 0.000 . 2 . . . . A 11 LYS HD3 . 30243 1 109 . 1 1 11 11 LYS HE2 H 1 2.863 0.000 . 1 . . . . A 11 LYS HE2 . 30243 1 110 . 1 1 11 11 LYS HE3 H 1 2.863 0.000 . 1 . . . . A 11 LYS HE3 . 30243 1 111 . 1 1 11 11 LYS C C 13 175.523 0.000 . 1 . . . . A 11 LYS C . 30243 1 112 . 1 1 11 11 LYS CA C 13 58.404 0.001 . 1 . . . . A 11 LYS CA . 30243 1 113 . 1 1 11 11 LYS CB C 13 30.004 0.007 . 1 . . . . A 11 LYS CB . 30243 1 114 . 1 1 11 11 LYS CG C 13 25.696 0.000 . 1 . . . . A 11 LYS CG . 30243 1 115 . 1 1 11 11 LYS CD C 13 29.001 0.011 . 1 . . . . A 11 LYS CD . 30243 1 116 . 1 1 11 11 LYS CE C 13 41.881 0.000 . 1 . . . . A 11 LYS CE . 30243 1 117 . 1 1 11 11 LYS N N 15 105.917 0.027 . 1 . . . . A 11 LYS N . 30243 1 118 . 1 1 12 12 VAL H H 1 7.918 0.002 . 1 . . . . A 12 VAL H . 30243 1 119 . 1 1 12 12 VAL HA H 1 4.400 0.003 . 1 . . . . A 12 VAL HA . 30243 1 120 . 1 1 12 12 VAL HB H 1 2.523 0.004 . 1 . . . . A 12 VAL HB . 30243 1 121 . 1 1 12 12 VAL HG11 H 1 1.114 0.004 . 2 . . . . A 12 VAL HG11 . 30243 1 122 . 1 1 12 12 VAL HG12 H 1 1.114 0.004 . 2 . . . . A 12 VAL HG12 . 30243 1 123 . 1 1 12 12 VAL HG13 H 1 1.114 0.004 . 2 . . . . A 12 VAL HG13 . 30243 1 124 . 1 1 12 12 VAL HG21 H 1 1.471 0.003 . 2 . . . . A 12 VAL HG21 . 30243 1 125 . 1 1 12 12 VAL HG22 H 1 1.471 0.003 . 2 . . . . A 12 VAL HG22 . 30243 1 126 . 1 1 12 12 VAL HG23 H 1 1.471 0.003 . 2 . . . . A 12 VAL HG23 . 30243 1 127 . 1 1 12 12 VAL C C 13 175.181 0.000 . 1 . . . . A 12 VAL C . 30243 1 128 . 1 1 12 12 VAL CA C 13 61.844 0.002 . 1 . . . . A 12 VAL CA . 30243 1 129 . 1 1 12 12 VAL CB C 13 34.181 0.002 . 1 . . . . A 12 VAL CB . 30243 1 130 . 1 1 12 12 VAL CG1 C 13 21.897 0.000 . 2 . . . . A 12 VAL CG1 . 30243 1 131 . 1 1 12 12 VAL CG2 C 13 22.552 0.000 . 2 . . . . A 12 VAL CG2 . 30243 1 132 . 1 1 12 12 VAL N N 15 123.709 0.011 . 1 . . . . A 12 VAL N . 30243 1 133 . 1 1 13 13 SER H H 1 8.888 0.002 . 1 . . . . A 13 SER H . 30243 1 134 . 1 1 13 13 SER HA H 1 4.612 0.004 . 1 . . . . A 13 SER HA . 30243 1 135 . 1 1 13 13 SER HB2 H 1 3.973 0.008 . 2 . . . . A 13 SER HB2 . 30243 1 136 . 1 1 13 13 SER HB3 H 1 4.012 0.004 . 2 . . . . A 13 SER HB3 . 30243 1 137 . 1 1 13 13 SER C C 13 175.349 0.000 . 1 . . . . A 13 SER C . 30243 1 138 . 1 1 13 13 SER CA C 13 59.682 0.002 . 1 . . . . A 13 SER CA . 30243 1 139 . 1 1 13 13 SER CB C 13 63.506 0.027 . 1 . . . . A 13 SER CB . 30243 1 140 . 1 1 13 13 SER N N 15 121.991 0.034 . 1 . . . . A 13 SER N . 30243 1 141 . 1 1 14 14 GLY H H 1 8.304 0.002 . 1 . . . . A 14 GLY H . 30243 1 142 . 1 1 14 14 GLY HA2 H 1 4.120 0.004 . 2 . . . . A 14 GLY HA2 . 30243 1 143 . 1 1 14 14 GLY HA3 H 1 4.331 0.005 . 2 . . . . A 14 GLY HA3 . 30243 1 144 . 1 1 14 14 GLY C C 13 172.767 0.000 . 1 . . . . A 14 GLY C . 30243 1 145 . 1 1 14 14 GLY CA C 13 46.337 0.012 . 1 . . . . A 14 GLY CA . 30243 1 146 . 1 1 14 14 GLY N N 15 113.244 0.024 . 1 . . . . A 14 GLY N . 30243 1 147 . 1 1 15 15 ILE H H 1 8.314 0.002 . 1 . . . . A 15 ILE H . 30243 1 148 . 1 1 15 15 ILE HA H 1 4.786 0.011 . 1 . . . . A 15 ILE HA . 30243 1 149 . 1 1 15 15 ILE HB H 1 1.621 0.002 . 1 . . . . A 15 ILE HB . 30243 1 150 . 1 1 15 15 ILE HG12 H 1 1.351 0.001 . 2 . . . . A 15 ILE HG12 . 30243 1 151 . 1 1 15 15 ILE HG13 H 1 1.079 0.001 . 2 . . . . A 15 ILE HG13 . 30243 1 152 . 1 1 15 15 ILE HG21 H 1 0.758 0.002 . 1 . . . . A 15 ILE HG21 . 30243 1 153 . 1 1 15 15 ILE HG22 H 1 0.758 0.002 . 1 . . . . A 15 ILE HG22 . 30243 1 154 . 1 1 15 15 ILE HG23 H 1 0.758 0.002 . 1 . . . . A 15 ILE HG23 . 30243 1 155 . 1 1 15 15 ILE HD11 H 1 0.762 0.002 . 1 . . . . A 15 ILE HD11 . 30243 1 156 . 1 1 15 15 ILE HD12 H 1 0.762 0.002 . 1 . . . . A 15 ILE HD12 . 30243 1 157 . 1 1 15 15 ILE HD13 H 1 0.762 0.002 . 1 . . . . A 15 ILE HD13 . 30243 1 158 . 1 1 15 15 ILE C C 13 175.432 0.000 . 1 . . . . A 15 ILE C . 30243 1 159 . 1 1 15 15 ILE CA C 13 59.236 0.000 . 1 . . . . A 15 ILE CA . 30243 1 160 . 1 1 15 15 ILE CB C 13 41.385 0.002 . 1 . . . . A 15 ILE CB . 30243 1 161 . 1 1 15 15 ILE CG1 C 13 27.224 0.022 . 1 . . . . A 15 ILE CG1 . 30243 1 162 . 1 1 15 15 ILE CG2 C 13 17.217 0.000 . 1 . . . . A 15 ILE CG2 . 30243 1 163 . 1 1 15 15 ILE CD1 C 13 12.025 0.000 . 1 . . . . A 15 ILE CD1 . 30243 1 164 . 1 1 15 15 ILE N N 15 123.197 0.014 . 1 . . . . A 15 ILE N . 30243 1 165 . 1 1 16 16 ILE H H 1 9.426 0.002 . 1 . . . . A 16 ILE H . 30243 1 166 . 1 1 16 16 ILE HA H 1 4.961 0.005 . 1 . . . . A 16 ILE HA . 30243 1 167 . 1 1 16 16 ILE HB H 1 1.620 0.007 . 1 . . . . A 16 ILE HB . 30243 1 168 . 1 1 16 16 ILE HG12 H 1 1.562 0.008 . 2 . . . . A 16 ILE HG12 . 30243 1 169 . 1 1 16 16 ILE HG13 H 1 0.772 0.000 . 2 . . . . A 16 ILE HG13 . 30243 1 170 . 1 1 16 16 ILE HG21 H 1 0.759 0.001 . 1 . . . . A 16 ILE HG21 . 30243 1 171 . 1 1 16 16 ILE HG22 H 1 0.759 0.001 . 1 . . . . A 16 ILE HG22 . 30243 1 172 . 1 1 16 16 ILE HG23 H 1 0.759 0.001 . 1 . . . . A 16 ILE HG23 . 30243 1 173 . 1 1 16 16 ILE HD11 H 1 0.146 0.000 . 1 . . . . A 16 ILE HD11 . 30243 1 174 . 1 1 16 16 ILE HD12 H 1 0.146 0.000 . 1 . . . . A 16 ILE HD12 . 30243 1 175 . 1 1 16 16 ILE HD13 H 1 0.146 0.000 . 1 . . . . A 16 ILE HD13 . 30243 1 176 . 1 1 16 16 ILE C C 13 173.330 0.000 . 1 . . . . A 16 ILE C . 30243 1 177 . 1 1 16 16 ILE CA C 13 59.625 0.000 . 1 . . . . A 16 ILE CA . 30243 1 178 . 1 1 16 16 ILE CB C 13 41.491 0.001 . 1 . . . . A 16 ILE CB . 30243 1 179 . 1 1 16 16 ILE CG1 C 13 29.685 0.000 . 1 . . . . A 16 ILE CG1 . 30243 1 180 . 1 1 16 16 ILE CG2 C 13 16.469 0.000 . 1 . . . . A 16 ILE CG2 . 30243 1 181 . 1 1 16 16 ILE CD1 C 13 13.681 0.000 . 1 . . . . A 16 ILE CD1 . 30243 1 182 . 1 1 16 16 ILE N N 15 127.746 0.011 . 1 . . . . A 16 ILE N . 30243 1 183 . 1 1 17 17 ALA H H 1 8.977 0.002 . 1 . . . . A 17 ALA H . 30243 1 184 . 1 1 17 17 ALA HA H 1 5.090 0.015 . 1 . . . . A 17 ALA HA . 30243 1 185 . 1 1 17 17 ALA HB1 H 1 1.346 0.004 . 1 . . . . A 17 ALA HB1 . 30243 1 186 . 1 1 17 17 ALA HB2 H 1 1.346 0.004 . 1 . . . . A 17 ALA HB2 . 30243 1 187 . 1 1 17 17 ALA HB3 H 1 1.346 0.004 . 1 . . . . A 17 ALA HB3 . 30243 1 188 . 1 1 17 17 ALA C C 13 176.226 0.000 . 1 . . . . A 17 ALA C . 30243 1 189 . 1 1 17 17 ALA CA C 13 51.428 0.000 . 1 . . . . A 17 ALA CA . 30243 1 190 . 1 1 17 17 ALA CB C 13 22.001 0.002 . 1 . . . . A 17 ALA CB . 30243 1 191 . 1 1 17 17 ALA N N 15 127.830 0.019 . 1 . . . . A 17 ALA N . 30243 1 192 . 1 1 18 18 ILE H H 1 8.691 0.002 . 1 . . . . A 18 ILE H . 30243 1 193 . 1 1 18 18 ILE HA H 1 4.558 0.004 . 1 . . . . A 18 ILE HA . 30243 1 194 . 1 1 18 18 ILE HB H 1 1.824 0.007 . 1 . . . . A 18 ILE HB . 30243 1 195 . 1 1 18 18 ILE HG12 H 1 1.529 0.009 . 2 . . . . A 18 ILE HG12 . 30243 1 196 . 1 1 18 18 ILE HG13 H 1 0.783 0.000 . 2 . . . . A 18 ILE HG13 . 30243 1 197 . 1 1 18 18 ILE HG21 H 1 0.679 0.006 . 1 . . . . A 18 ILE HG21 . 30243 1 198 . 1 1 18 18 ILE HG22 H 1 0.679 0.006 . 1 . . . . A 18 ILE HG22 . 30243 1 199 . 1 1 18 18 ILE HG23 H 1 0.679 0.006 . 1 . . . . A 18 ILE HG23 . 30243 1 200 . 1 1 18 18 ILE HD11 H 1 0.779 0.006 . 1 . . . . A 18 ILE HD11 . 30243 1 201 . 1 1 18 18 ILE HD12 H 1 0.779 0.006 . 1 . . . . A 18 ILE HD12 . 30243 1 202 . 1 1 18 18 ILE HD13 H 1 0.779 0.006 . 1 . . . . A 18 ILE HD13 . 30243 1 203 . 1 1 18 18 ILE C C 13 174.312 0.000 . 1 . . . . A 18 ILE C . 30243 1 204 . 1 1 18 18 ILE CA C 13 60.598 0.000 . 1 . . . . A 18 ILE CA . 30243 1 205 . 1 1 18 18 ILE CB C 13 38.982 0.000 . 1 . . . . A 18 ILE CB . 30243 1 206 . 1 1 18 18 ILE CG1 C 13 28.490 0.011 . 1 . . . . A 18 ILE CG1 . 30243 1 207 . 1 1 18 18 ILE CG2 C 13 17.828 0.000 . 1 . . . . A 18 ILE CG2 . 30243 1 208 . 1 1 18 18 ILE CD1 C 13 14.802 0.000 . 1 . . . . A 18 ILE CD1 . 30243 1 209 . 1 1 18 18 ILE N N 15 122.279 0.045 . 1 . . . . A 18 ILE N . 30243 1 210 . 1 1 19 19 ASN H H 1 9.378 0.013 . 1 . . . . A 19 ASN H . 30243 1 211 . 1 1 19 19 ASN HA H 1 5.071 0.008 . 1 . . . . A 19 ASN HA . 30243 1 212 . 1 1 19 19 ASN HB2 H 1 2.732 0.002 . 2 . . . . A 19 ASN HB2 . 30243 1 213 . 1 1 19 19 ASN HB3 H 1 3.109 0.006 . 2 . . . . A 19 ASN HB3 . 30243 1 214 . 1 1 19 19 ASN HD21 H 1 6.853 0.003 . 1 . . . . A 19 ASN HD21 . 30243 1 215 . 1 1 19 19 ASN HD22 H 1 7.708 0.002 . 1 . . . . A 19 ASN HD22 . 30243 1 216 . 1 1 19 19 ASN C C 13 174.761 0.000 . 1 . . . . A 19 ASN C . 30243 1 217 . 1 1 19 19 ASN CA C 13 51.683 0.001 . 1 . . . . A 19 ASN CA . 30243 1 218 . 1 1 19 19 ASN CB C 13 39.410 0.015 . 1 . . . . A 19 ASN CB . 30243 1 219 . 1 1 19 19 ASN CG C 13 176.813 0.039 . 1 . . . . A 19 ASN CG . 30243 1 220 . 1 1 19 19 ASN N N 15 127.574 0.066 . 1 . . . . A 19 ASN N . 30243 1 221 . 1 1 19 19 ASN ND2 N 15 110.833 0.031 . 1 . . . . A 19 ASN ND2 . 30243 1 222 . 1 1 20 20 GLU H H 1 9.044 0.008 . 1 . . . . A 20 GLU H . 30243 1 223 . 1 1 20 20 GLU HA H 1 4.684 0.006 . 1 . . . . A 20 GLU HA . 30243 1 224 . 1 1 20 20 GLU HB2 H 1 2.410 0.004 . 2 . . . . A 20 GLU HB2 . 30243 1 225 . 1 1 20 20 GLU HB3 H 1 1.983 0.008 . 2 . . . . A 20 GLU HB3 . 30243 1 226 . 1 1 20 20 GLU HG2 H 1 2.044 0.002 . 2 . . . . A 20 GLU HG2 . 30243 1 227 . 1 1 20 20 GLU HG3 H 1 2.185 0.005 . 2 . . . . A 20 GLU HG3 . 30243 1 228 . 1 1 20 20 GLU C C 13 176.166 0.000 . 1 . . . . A 20 GLU C . 30243 1 229 . 1 1 20 20 GLU CA C 13 55.691 0.000 . 1 . . . . A 20 GLU CA . 30243 1 230 . 1 1 20 20 GLU CB C 13 30.718 0.067 . 1 . . . . A 20 GLU CB . 30243 1 231 . 1 1 20 20 GLU CG C 13 39.028 0.032 . 1 . . . . A 20 GLU CG . 30243 1 232 . 1 1 20 20 GLU N N 15 121.613 0.038 . 1 . . . . A 20 GLU N . 30243 1 233 . 1 1 21 21 ASP H H 1 8.721 0.001 . 1 . . . . A 21 ASP H . 30243 1 234 . 1 1 21 21 ASP HA H 1 4.603 0.006 . 1 . . . . A 21 ASP HA . 30243 1 235 . 1 1 21 21 ASP HB2 H 1 2.795 0.004 . 2 . . . . A 21 ASP HB2 . 30243 1 236 . 1 1 21 21 ASP HB3 H 1 2.865 0.003 . 2 . . . . A 21 ASP HB3 . 30243 1 237 . 1 1 21 21 ASP C C 13 175.717 0.000 . 1 . . . . A 21 ASP C . 30243 1 238 . 1 1 21 21 ASP CA C 13 55.386 0.001 . 1 . . . . A 21 ASP CA . 30243 1 239 . 1 1 21 21 ASP CB C 13 40.489 0.007 . 1 . . . . A 21 ASP CB . 30243 1 240 . 1 1 21 21 ASP N N 15 121.100 0.021 . 1 . . . . A 21 ASP N . 30243 1 241 . 1 1 22 22 VAL H H 1 6.836 0.003 . 1 . . . . A 22 VAL H . 30243 1 242 . 1 1 22 22 VAL HA H 1 4.303 0.002 . 1 . . . . A 22 VAL HA . 30243 1 243 . 1 1 22 22 VAL HB H 1 1.995 0.000 . 1 . . . . A 22 VAL HB . 30243 1 244 . 1 1 22 22 VAL HG11 H 1 0.807 0.005 . 2 . . . . A 22 VAL HG11 . 30243 1 245 . 1 1 22 22 VAL HG12 H 1 0.807 0.005 . 2 . . . . A 22 VAL HG12 . 30243 1 246 . 1 1 22 22 VAL HG13 H 1 0.807 0.005 . 2 . . . . A 22 VAL HG13 . 30243 1 247 . 1 1 22 22 VAL HG21 H 1 0.769 0.009 . 2 . . . . A 22 VAL HG21 . 30243 1 248 . 1 1 22 22 VAL HG22 H 1 0.769 0.009 . 2 . . . . A 22 VAL HG22 . 30243 1 249 . 1 1 22 22 VAL HG23 H 1 0.769 0.009 . 2 . . . . A 22 VAL HG23 . 30243 1 250 . 1 1 22 22 VAL C C 13 173.427 0.000 . 1 . . . . A 22 VAL C . 30243 1 251 . 1 1 22 22 VAL CA C 13 58.823 0.001 . 1 . . . . A 22 VAL CA . 30243 1 252 . 1 1 22 22 VAL CB C 13 33.891 0.000 . 1 . . . . A 22 VAL CB . 30243 1 253 . 1 1 22 22 VAL CG1 C 13 21.103 0.000 . 2 . . . . A 22 VAL CG1 . 30243 1 254 . 1 1 22 22 VAL CG2 C 13 18.105 0.000 . 2 . . . . A 22 VAL CG2 . 30243 1 255 . 1 1 22 22 VAL N N 15 113.108 0.039 . 1 . . . . A 22 VAL N . 30243 1 256 . 1 1 23 23 SER H H 1 8.049 0.003 . 1 . . . . A 23 SER H . 30243 1 257 . 1 1 23 23 SER HA H 1 4.728 0.005 . 1 . . . . A 23 SER HA . 30243 1 258 . 1 1 23 23 SER HB2 H 1 3.725 0.004 . 2 . . . . A 23 SER HB2 . 30243 1 259 . 1 1 23 23 SER HB3 H 1 3.599 0.006 . 2 . . . . A 23 SER HB3 . 30243 1 260 . 1 1 23 23 SER CA C 13 53.507 0.000 . 1 . . . . A 23 SER CA . 30243 1 261 . 1 1 23 23 SER CB C 13 64.598 0.003 . 1 . . . . A 23 SER CB . 30243 1 262 . 1 1 23 23 SER N N 15 114.997 0.007 . 1 . . . . A 23 SER N . 30243 1 263 . 1 1 24 24 PRO HA H 1 4.753 0.000 . 1 . . . . A 24 PRO HA . 30243 1 264 . 1 1 24 24 PRO HB2 H 1 1.801 0.003 . 2 . . . . A 24 PRO HB2 . 30243 1 265 . 1 1 24 24 PRO HB3 H 1 2.122 0.006 . 2 . . . . A 24 PRO HB3 . 30243 1 266 . 1 1 24 24 PRO HG2 H 1 1.826 0.000 . 2 . . . . A 24 PRO HG2 . 30243 1 267 . 1 1 24 24 PRO HG3 H 1 1.763 0.000 . 2 . . . . A 24 PRO HG3 . 30243 1 268 . 1 1 24 24 PRO HD2 H 1 3.459 0.004 . 2 . . . . A 24 PRO HD2 . 30243 1 269 . 1 1 24 24 PRO HD3 H 1 3.463 0.000 . 2 . . . . A 24 PRO HD3 . 30243 1 270 . 1 1 24 24 PRO C C 13 174.783 0.000 . 1 . . . . A 24 PRO C . 30243 1 271 . 1 1 24 24 PRO CA C 13 62.741 0.001 . 1 . . . . A 24 PRO CA . 30243 1 272 . 1 1 24 24 PRO CB C 13 34.728 0.007 . 1 . . . . A 24 PRO CB . 30243 1 273 . 1 1 24 24 PRO CG C 13 25.889 0.006 . 1 . . . . A 24 PRO CG . 30243 1 274 . 1 1 24 24 PRO CD C 13 49.590 0.000 . 1 . . . . A 24 PRO CD . 30243 1 275 . 1 1 25 25 ALA H H 1 7.953 0.001 . 1 . . . . A 25 ALA H . 30243 1 276 . 1 1 25 25 ALA HA H 1 4.498 0.003 . 1 . . . . A 25 ALA HA . 30243 1 277 . 1 1 25 25 ALA HB1 H 1 1.535 0.002 . 1 . . . . A 25 ALA HB1 . 30243 1 278 . 1 1 25 25 ALA HB2 H 1 1.535 0.002 . 1 . . . . A 25 ALA HB2 . 30243 1 279 . 1 1 25 25 ALA HB3 H 1 1.535 0.002 . 1 . . . . A 25 ALA HB3 . 30243 1 280 . 1 1 25 25 ALA C C 13 175.769 0.000 . 1 . . . . A 25 ALA C . 30243 1 281 . 1 1 25 25 ALA CA C 13 52.457 0.001 . 1 . . . . A 25 ALA CA . 30243 1 282 . 1 1 25 25 ALA CB C 13 20.393 0.003 . 1 . . . . A 25 ALA CB . 30243 1 283 . 1 1 25 25 ALA N N 15 120.437 0.010 . 1 . . . . A 25 ALA N . 30243 1 284 . 1 1 26 26 GLU H H 1 7.854 0.003 . 1 . . . . A 26 GLU H . 30243 1 285 . 1 1 26 26 GLU HA H 1 5.025 0.004 . 1 . . . . A 26 GLU HA . 30243 1 286 . 1 1 26 26 GLU HB2 H 1 1.688 0.009 . 2 . . . . A 26 GLU HB2 . 30243 1 287 . 1 1 26 26 GLU HB3 H 1 1.772 0.002 . 2 . . . . A 26 GLU HB3 . 30243 1 288 . 1 1 26 26 GLU HG2 H 1 1.981 0.001 . 2 . . . . A 26 GLU HG2 . 30243 1 289 . 1 1 26 26 GLU HG3 H 1 2.337 0.000 . 2 . . . . A 26 GLU HG3 . 30243 1 290 . 1 1 26 26 GLU C C 13 174.621 0.000 . 1 . . . . A 26 GLU C . 30243 1 291 . 1 1 26 26 GLU CA C 13 54.047 0.001 . 1 . . . . A 26 GLU CA . 30243 1 292 . 1 1 26 26 GLU CB C 13 34.498 0.001 . 1 . . . . A 26 GLU CB . 30243 1 293 . 1 1 26 26 GLU CG C 13 36.059 0.000 . 1 . . . . A 26 GLU CG . 30243 1 294 . 1 1 26 26 GLU N N 15 115.449 0.010 . 1 . . . . A 26 GLU N . 30243 1 295 . 1 1 27 27 LEU H H 1 8.889 0.002 . 1 . . . . A 27 LEU H . 30243 1 296 . 1 1 27 27 LEU HA H 1 5.017 0.003 . 1 . . . . A 27 LEU HA . 30243 1 297 . 1 1 27 27 LEU HB2 H 1 1.590 0.004 . 2 . . . . A 27 LEU HB2 . 30243 1 298 . 1 1 27 27 LEU HB3 H 1 1.377 0.005 . 2 . . . . A 27 LEU HB3 . 30243 1 299 . 1 1 27 27 LEU HG H 1 1.380 0.005 . 1 . . . . A 27 LEU HG . 30243 1 300 . 1 1 27 27 LEU HD11 H 1 0.638 0.001 . 2 . . . . A 27 LEU HD11 . 30243 1 301 . 1 1 27 27 LEU HD12 H 1 0.638 0.001 . 2 . . . . A 27 LEU HD12 . 30243 1 302 . 1 1 27 27 LEU HD13 H 1 0.638 0.001 . 2 . . . . A 27 LEU HD13 . 30243 1 303 . 1 1 27 27 LEU HD21 H 1 0.546 0.004 . 2 . . . . A 27 LEU HD21 . 30243 1 304 . 1 1 27 27 LEU HD22 H 1 0.546 0.004 . 2 . . . . A 27 LEU HD22 . 30243 1 305 . 1 1 27 27 LEU HD23 H 1 0.546 0.004 . 2 . . . . A 27 LEU HD23 . 30243 1 306 . 1 1 27 27 LEU C C 13 174.737 0.000 . 1 . . . . A 27 LEU C . 30243 1 307 . 1 1 27 27 LEU CA C 13 53.125 0.004 . 1 . . . . A 27 LEU CA . 30243 1 308 . 1 1 27 27 LEU CB C 13 45.417 0.000 . 1 . . . . A 27 LEU CB . 30243 1 309 . 1 1 27 27 LEU CG C 13 27.175 0.000 . 1 . . . . A 27 LEU CG . 30243 1 310 . 1 1 27 27 LEU CD1 C 13 27.155 0.000 . 2 . . . . A 27 LEU CD1 . 30243 1 311 . 1 1 27 27 LEU CD2 C 13 25.679 0.000 . 2 . . . . A 27 LEU CD2 . 30243 1 312 . 1 1 27 27 LEU N N 15 124.591 0.010 . 1 . . . . A 27 LEU N . 30243 1 313 . 1 1 28 28 THR H H 1 9.268 0.001 . 1 . . . . A 28 THR H . 30243 1 314 . 1 1 28 28 THR HA H 1 5.213 0.002 . 1 . . . . A 28 THR HA . 30243 1 315 . 1 1 28 28 THR HB H 1 3.938 0.006 . 1 . . . . A 28 THR HB . 30243 1 316 . 1 1 28 28 THR HG21 H 1 1.118 0.002 . 1 . . . . A 28 THR HG21 . 30243 1 317 . 1 1 28 28 THR HG22 H 1 1.118 0.002 . 1 . . . . A 28 THR HG22 . 30243 1 318 . 1 1 28 28 THR HG23 H 1 1.118 0.002 . 1 . . . . A 28 THR HG23 . 30243 1 319 . 1 1 28 28 THR C C 13 172.697 0.000 . 1 . . . . A 28 THR C . 30243 1 320 . 1 1 28 28 THR CA C 13 61.038 0.001 . 1 . . . . A 28 THR CA . 30243 1 321 . 1 1 28 28 THR CB C 13 71.435 0.002 . 1 . . . . A 28 THR CB . 30243 1 322 . 1 1 28 28 THR CG2 C 13 21.875 0.000 . 1 . . . . A 28 THR CG2 . 30243 1 323 . 1 1 28 28 THR N N 15 121.619 0.026 . 1 . . . . A 28 THR N . 30243 1 324 . 1 1 29 29 TRP H H 1 9.454 0.003 . 1 . . . . A 29 TRP H . 30243 1 325 . 1 1 29 29 TRP HA H 1 5.407 0.005 . 1 . . . . A 29 TRP HA . 30243 1 326 . 1 1 29 29 TRP HB2 H 1 2.783 0.008 . 2 . . . . A 29 TRP HB2 . 30243 1 327 . 1 1 29 29 TRP HB3 H 1 3.128 0.004 . 2 . . . . A 29 TRP HB3 . 30243 1 328 . 1 1 29 29 TRP HD1 H 1 6.652 0.017 . 1 . . . . A 29 TRP HD1 . 30243 1 329 . 1 1 29 29 TRP HE1 H 1 9.477 0.002 . 1 . . . . A 29 TRP HE1 . 30243 1 330 . 1 1 29 29 TRP HE3 H 1 7.327 0.011 . 1 . . . . A 29 TRP HE3 . 30243 1 331 . 1 1 29 29 TRP HZ2 H 1 7.609 0.003 . 1 . . . . A 29 TRP HZ2 . 30243 1 332 . 1 1 29 29 TRP HZ3 H 1 6.903 0.003 . 1 . . . . A 29 TRP HZ3 . 30243 1 333 . 1 1 29 29 TRP HH2 H 1 7.080 0.002 . 1 . . . . A 29 TRP HH2 . 30243 1 334 . 1 1 29 29 TRP C C 13 173.908 0.000 . 1 . . . . A 29 TRP C . 30243 1 335 . 1 1 29 29 TRP CA C 13 55.774 0.001 . 1 . . . . A 29 TRP CA . 30243 1 336 . 1 1 29 29 TRP CB C 13 31.964 0.016 . 1 . . . . A 29 TRP CB . 30243 1 337 . 1 1 29 29 TRP CD1 C 13 124.321 0.000 . 1 . . . . A 29 TRP CD1 . 30243 1 338 . 1 1 29 29 TRP CE3 C 13 120.880 0.000 . 1 . . . . A 29 TRP CE3 . 30243 1 339 . 1 1 29 29 TRP CZ2 C 13 114.619 0.000 . 1 . . . . A 29 TRP CZ2 . 30243 1 340 . 1 1 29 29 TRP CZ3 C 13 121.823 0.000 . 1 . . . . A 29 TRP CZ3 . 30243 1 341 . 1 1 29 29 TRP CH2 C 13 124.515 0.000 . 1 . . . . A 29 TRP CH2 . 30243 1 342 . 1 1 29 29 TRP N N 15 128.870 0.007 . 1 . . . . A 29 TRP N . 30243 1 343 . 1 1 29 29 TRP NE1 N 15 126.239 0.009 . 1 . . . . A 29 TRP NE1 . 30243 1 344 . 1 1 30 30 ARG H H 1 7.612 0.003 . 1 . . . . A 30 ARG H . 30243 1 345 . 1 1 30 30 ARG HA H 1 4.814 0.006 . 1 . . . . A 30 ARG HA . 30243 1 346 . 1 1 30 30 ARG HB2 H 1 1.413 0.008 . 2 . . . . A 30 ARG HB2 . 30243 1 347 . 1 1 30 30 ARG HB3 H 1 1.533 0.004 . 2 . . . . A 30 ARG HB3 . 30243 1 348 . 1 1 30 30 ARG HG2 H 1 1.426 0.007 . 2 . . . . A 30 ARG HG2 . 30243 1 349 . 1 1 30 30 ARG HG3 H 1 1.591 0.009 . 2 . . . . A 30 ARG HG3 . 30243 1 350 . 1 1 30 30 ARG HD2 H 1 3.090 0.000 . 2 . . . . A 30 ARG HD2 . 30243 1 351 . 1 1 30 30 ARG HD3 H 1 3.020 0.000 . 2 . . . . A 30 ARG HD3 . 30243 1 352 . 1 1 30 30 ARG HE H 1 7.136 0.000 . 1 . . . . A 30 ARG HE . 30243 1 353 . 1 1 30 30 ARG C C 13 174.792 0.000 . 1 . . . . A 30 ARG C . 30243 1 354 . 1 1 30 30 ARG CA C 13 53.467 0.001 . 1 . . . . A 30 ARG CA . 30243 1 355 . 1 1 30 30 ARG CB C 13 33.565 0.001 . 1 . . . . A 30 ARG CB . 30243 1 356 . 1 1 30 30 ARG CG C 13 27.348 0.010 . 1 . . . . A 30 ARG CG . 30243 1 357 . 1 1 30 30 ARG CD C 13 43.303 0.000 . 1 . . . . A 30 ARG CD . 30243 1 358 . 1 1 30 30 ARG N N 15 126.363 0.017 . 1 . . . . A 30 ARG N . 30243 1 359 . 1 1 30 30 ARG NE N 15 84.796 0.000 . 1 . . . . A 30 ARG NE . 30243 1 360 . 1 1 31 31 SER H H 1 8.089 0.002 . 1 . . . . A 31 SER H . 30243 1 361 . 1 1 31 31 SER HA H 1 4.102 0.001 . 1 . . . . A 31 SER HA . 30243 1 362 . 1 1 31 31 SER HB2 H 1 4.456 0.003 . 2 . . . . A 31 SER HB2 . 30243 1 363 . 1 1 31 31 SER HB3 H 1 3.992 0.005 . 2 . . . . A 31 SER HB3 . 30243 1 364 . 1 1 31 31 SER HG H 1 5.305 0.019 . 1 . . . . A 31 SER HG . 30243 1 365 . 1 1 31 31 SER C C 13 176.427 0.000 . 1 . . . . A 31 SER C . 30243 1 366 . 1 1 31 31 SER CA C 13 57.866 0.000 . 1 . . . . A 31 SER CA . 30243 1 367 . 1 1 31 31 SER CB C 13 64.210 0.020 . 1 . . . . A 31 SER CB . 30243 1 368 . 1 1 31 31 SER N N 15 118.482 0.010 . 1 . . . . A 31 SER N . 30243 1 369 . 1 1 32 32 THR H H 1 8.549 0.003 . 1 . . . . A 32 THR H . 30243 1 370 . 1 1 32 32 THR HA H 1 3.847 0.007 . 1 . . . . A 32 THR HA . 30243 1 371 . 1 1 32 32 THR HB H 1 4.110 0.006 . 1 . . . . A 32 THR HB . 30243 1 372 . 1 1 32 32 THR HG21 H 1 1.212 0.004 . 1 . . . . A 32 THR HG21 . 30243 1 373 . 1 1 32 32 THR HG22 H 1 1.212 0.004 . 1 . . . . A 32 THR HG22 . 30243 1 374 . 1 1 32 32 THR HG23 H 1 1.212 0.004 . 1 . . . . A 32 THR HG23 . 30243 1 375 . 1 1 32 32 THR C C 13 175.632 0.000 . 1 . . . . A 32 THR C . 30243 1 376 . 1 1 32 32 THR CA C 13 65.832 0.000 . 1 . . . . A 32 THR CA . 30243 1 377 . 1 1 32 32 THR CB C 13 68.334 0.004 . 1 . . . . A 32 THR CB . 30243 1 378 . 1 1 32 32 THR CG2 C 13 22.089 0.000 . 1 . . . . A 32 THR CG2 . 30243 1 379 . 1 1 32 32 THR N N 15 119.022 0.020 . 1 . . . . A 32 THR N . 30243 1 380 . 1 1 33 33 ASP H H 1 8.218 0.002 . 1 . . . . A 33 ASP H . 30243 1 381 . 1 1 33 33 ASP HA H 1 4.615 0.002 . 1 . . . . A 33 ASP HA . 30243 1 382 . 1 1 33 33 ASP HB2 H 1 2.775 0.006 . 2 . . . . A 33 ASP HB2 . 30243 1 383 . 1 1 33 33 ASP HB3 H 1 2.691 0.016 . 2 . . . . A 33 ASP HB3 . 30243 1 384 . 1 1 33 33 ASP C C 13 177.097 0.000 . 1 . . . . A 33 ASP C . 30243 1 385 . 1 1 33 33 ASP CA C 13 54.458 0.004 . 1 . . . . A 33 ASP CA . 30243 1 386 . 1 1 33 33 ASP CB C 13 41.055 0.003 . 1 . . . . A 33 ASP CB . 30243 1 387 . 1 1 33 33 ASP N N 15 117.337 0.027 . 1 . . . . A 33 ASP N . 30243 1 388 . 1 1 34 34 GLY H H 1 7.930 0.002 . 1 . . . . A 34 GLY H . 30243 1 389 . 1 1 34 34 GLY HA2 H 1 3.529 0.002 . 2 . . . . A 34 GLY HA2 . 30243 1 390 . 1 1 34 34 GLY HA3 H 1 4.118 0.008 . 2 . . . . A 34 GLY HA3 . 30243 1 391 . 1 1 34 34 GLY C C 13 173.801 0.000 . 1 . . . . A 34 GLY C . 30243 1 392 . 1 1 34 34 GLY CA C 13 45.338 0.014 . 1 . . . . A 34 GLY CA . 30243 1 393 . 1 1 34 34 GLY N N 15 109.196 0.012 . 1 . . . . A 34 GLY N . 30243 1 394 . 1 1 35 35 ASP H H 1 8.253 0.001 . 1 . . . . A 35 ASP H . 30243 1 395 . 1 1 35 35 ASP HA H 1 4.502 0.003 . 1 . . . . A 35 ASP HA . 30243 1 396 . 1 1 35 35 ASP HB2 H 1 2.641 0.007 . 2 . . . . A 35 ASP HB2 . 30243 1 397 . 1 1 35 35 ASP HB3 H 1 2.710 0.015 . 2 . . . . A 35 ASP HB3 . 30243 1 398 . 1 1 35 35 ASP C C 13 175.405 0.000 . 1 . . . . A 35 ASP C . 30243 1 399 . 1 1 35 35 ASP CA C 13 54.854 0.001 . 1 . . . . A 35 ASP CA . 30243 1 400 . 1 1 35 35 ASP CB C 13 40.895 0.001 . 1 . . . . A 35 ASP CB . 30243 1 401 . 1 1 35 35 ASP N N 15 118.054 0.004 . 1 . . . . A 35 ASP N . 30243 1 402 . 1 1 36 36 LYS H H 1 7.760 0.003 . 1 . . . . A 36 LYS H . 30243 1 403 . 1 1 36 36 LYS HA H 1 4.803 0.002 . 1 . . . . A 36 LYS HA . 30243 1 404 . 1 1 36 36 LYS HB2 H 1 1.919 0.004 . 2 . . . . A 36 LYS HB2 . 30243 1 405 . 1 1 36 36 LYS HB3 H 1 2.157 0.006 . 2 . . . . A 36 LYS HB3 . 30243 1 406 . 1 1 36 36 LYS HG2 H 1 1.612 0.004 . 2 . . . . A 36 LYS HG2 . 30243 1 407 . 1 1 36 36 LYS HG3 H 1 1.731 0.004 . 2 . . . . A 36 LYS HG3 . 30243 1 408 . 1 1 36 36 LYS HD2 H 1 1.981 0.000 . 1 . . . . A 36 LYS HD2 . 30243 1 409 . 1 1 36 36 LYS HD3 H 1 1.981 0.000 . 1 . . . . A 36 LYS HD3 . 30243 1 410 . 1 1 36 36 LYS HE2 H 1 3.183 0.000 . 2 . . . . A 36 LYS HE2 . 30243 1 411 . 1 1 36 36 LYS HE3 H 1 3.145 0.000 . 2 . . . . A 36 LYS HE3 . 30243 1 412 . 1 1 36 36 LYS C C 13 174.557 0.000 . 1 . . . . A 36 LYS C . 30243 1 413 . 1 1 36 36 LYS CA C 13 55.399 0.001 . 1 . . . . A 36 LYS CA . 30243 1 414 . 1 1 36 36 LYS CB C 13 35.623 0.036 . 1 . . . . A 36 LYS CB . 30243 1 415 . 1 1 36 36 LYS CG C 13 25.318 0.010 . 1 . . . . A 36 LYS CG . 30243 1 416 . 1 1 36 36 LYS CD C 13 29.544 0.000 . 1 . . . . A 36 LYS CD . 30243 1 417 . 1 1 36 36 LYS CE C 13 42.051 0.013 . 1 . . . . A 36 LYS CE . 30243 1 418 . 1 1 36 36 LYS N N 15 120.364 0.013 . 1 . . . . A 36 LYS N . 30243 1 419 . 1 1 37 37 VAL H H 1 8.528 0.002 . 1 . . . . A 37 VAL H . 30243 1 420 . 1 1 37 37 VAL HA H 1 5.261 0.003 . 1 . . . . A 37 VAL HA . 30243 1 421 . 1 1 37 37 VAL HB H 1 2.025 0.002 . 1 . . . . A 37 VAL HB . 30243 1 422 . 1 1 37 37 VAL HG21 H 1 0.911 0.002 . 1 . . . . A 37 VAL HG21 . 30243 1 423 . 1 1 37 37 VAL HG22 H 1 0.911 0.002 . 1 . . . . A 37 VAL HG22 . 30243 1 424 . 1 1 37 37 VAL HG23 H 1 0.911 0.002 . 1 . . . . A 37 VAL HG23 . 30243 1 425 . 1 1 37 37 VAL C C 13 175.138 0.000 . 1 . . . . A 37 VAL C . 30243 1 426 . 1 1 37 37 VAL CA C 13 60.176 0.000 . 1 . . . . A 37 VAL CA . 30243 1 427 . 1 1 37 37 VAL CB C 13 35.702 0.001 . 1 . . . . A 37 VAL CB . 30243 1 428 . 1 1 37 37 VAL CG2 C 13 20.806 0.000 . 1 . . . . A 37 VAL CG2 . 30243 1 429 . 1 1 37 37 VAL N N 15 121.849 0.022 . 1 . . . . A 37 VAL N . 30243 1 430 . 1 1 38 38 HIS H H 1 9.657 0.002 . 1 . . . . A 38 HIS H . 30243 1 431 . 1 1 38 38 HIS HA H 1 5.047 0.001 . 1 . . . . A 38 HIS HA . 30243 1 432 . 1 1 38 38 HIS HB2 H 1 2.809 0.002 . 2 . . . . A 38 HIS HB2 . 30243 1 433 . 1 1 38 38 HIS HB3 H 1 2.741 0.001 . 2 . . . . A 38 HIS HB3 . 30243 1 434 . 1 1 38 38 HIS HD2 H 1 5.990 0.000 . 1 . . . . A 38 HIS HD2 . 30243 1 435 . 1 1 38 38 HIS HE1 H 1 8.254 0.000 . 1 . . . . A 38 HIS HE1 . 30243 1 436 . 1 1 38 38 HIS C C 13 173.461 0.000 . 1 . . . . A 38 HIS C . 30243 1 437 . 1 1 38 38 HIS CA C 13 55.921 0.001 . 1 . . . . A 38 HIS CA . 30243 1 438 . 1 1 38 38 HIS CB C 13 34.243 0.000 . 1 . . . . A 38 HIS CB . 30243 1 439 . 1 1 38 38 HIS CD2 C 13 116.757 0.000 . 1 . . . . A 38 HIS CD2 . 30243 1 440 . 1 1 38 38 HIS CE1 C 13 138.605 0.000 . 1 . . . . A 38 HIS CE1 . 30243 1 441 . 1 1 38 38 HIS N N 15 126.573 0.008 . 1 . . . . A 38 HIS N . 30243 1 442 . 1 1 39 39 THR H H 1 8.314 0.003 . 1 . . . . A 39 THR H . 30243 1 443 . 1 1 39 39 THR HA H 1 5.126 0.001 . 1 . . . . A 39 THR HA . 30243 1 444 . 1 1 39 39 THR HB H 1 3.726 0.004 . 1 . . . . A 39 THR HB . 30243 1 445 . 1 1 39 39 THR HG21 H 1 0.963 0.010 . 1 . . . . A 39 THR HG21 . 30243 1 446 . 1 1 39 39 THR HG22 H 1 0.963 0.010 . 1 . . . . A 39 THR HG22 . 30243 1 447 . 1 1 39 39 THR HG23 H 1 0.963 0.010 . 1 . . . . A 39 THR HG23 . 30243 1 448 . 1 1 39 39 THR C C 13 173.132 0.000 . 1 . . . . A 39 THR C . 30243 1 449 . 1 1 39 39 THR CA C 13 61.423 0.001 . 1 . . . . A 39 THR CA . 30243 1 450 . 1 1 39 39 THR CB C 13 70.680 0.001 . 1 . . . . A 39 THR CB . 30243 1 451 . 1 1 39 39 THR CG2 C 13 21.798 0.000 . 1 . . . . A 39 THR CG2 . 30243 1 452 . 1 1 39 39 THR N N 15 124.119 0.012 . 1 . . . . A 39 THR N . 30243 1 453 . 1 1 40 40 VAL H H 1 9.377 0.002 . 1 . . . . A 40 VAL H . 30243 1 454 . 1 1 40 40 VAL HA H 1 3.903 0.006 . 1 . . . . A 40 VAL HA . 30243 1 455 . 1 1 40 40 VAL HB H 1 1.763 0.004 . 1 . . . . A 40 VAL HB . 30243 1 456 . 1 1 40 40 VAL HG11 H 1 0.255 0.003 . 2 . . . . A 40 VAL HG11 . 30243 1 457 . 1 1 40 40 VAL HG12 H 1 0.255 0.003 . 2 . . . . A 40 VAL HG12 . 30243 1 458 . 1 1 40 40 VAL HG13 H 1 0.255 0.003 . 2 . . . . A 40 VAL HG13 . 30243 1 459 . 1 1 40 40 VAL HG21 H 1 0.370 0.003 . 2 . . . . A 40 VAL HG21 . 30243 1 460 . 1 1 40 40 VAL HG22 H 1 0.370 0.003 . 2 . . . . A 40 VAL HG22 . 30243 1 461 . 1 1 40 40 VAL HG23 H 1 0.370 0.003 . 2 . . . . A 40 VAL HG23 . 30243 1 462 . 1 1 40 40 VAL C C 13 174.771 0.000 . 1 . . . . A 40 VAL C . 30243 1 463 . 1 1 40 40 VAL CA C 13 60.678 0.004 . 1 . . . . A 40 VAL CA . 30243 1 464 . 1 1 40 40 VAL CB C 13 34.111 0.000 . 1 . . . . A 40 VAL CB . 30243 1 465 . 1 1 40 40 VAL CG1 C 13 19.526 0.000 . 2 . . . . A 40 VAL CG1 . 30243 1 466 . 1 1 40 40 VAL CG2 C 13 21.083 0.000 . 2 . . . . A 40 VAL CG2 . 30243 1 467 . 1 1 40 40 VAL N N 15 126.090 0.010 . 1 . . . . A 40 VAL N . 30243 1 468 . 1 1 41 41 VAL H H 1 9.043 0.002 . 1 . . . . A 41 VAL H . 30243 1 469 . 1 1 41 41 VAL HA H 1 3.964 0.004 . 1 . . . . A 41 VAL HA . 30243 1 470 . 1 1 41 41 VAL HB H 1 2.011 0.004 . 1 . . . . A 41 VAL HB . 30243 1 471 . 1 1 41 41 VAL HG11 H 1 1.004 0.003 . 2 . . . . A 41 VAL HG11 . 30243 1 472 . 1 1 41 41 VAL HG12 H 1 1.004 0.003 . 2 . . . . A 41 VAL HG12 . 30243 1 473 . 1 1 41 41 VAL HG13 H 1 1.004 0.003 . 2 . . . . A 41 VAL HG13 . 30243 1 474 . 1 1 41 41 VAL HG21 H 1 0.927 0.003 . 2 . . . . A 41 VAL HG21 . 30243 1 475 . 1 1 41 41 VAL HG22 H 1 0.927 0.003 . 2 . . . . A 41 VAL HG22 . 30243 1 476 . 1 1 41 41 VAL HG23 H 1 0.927 0.003 . 2 . . . . A 41 VAL HG23 . 30243 1 477 . 1 1 41 41 VAL C C 13 179.365 0.000 . 1 . . . . A 41 VAL C . 30243 1 478 . 1 1 41 41 VAL CA C 13 63.503 0.003 . 1 . . . . A 41 VAL CA . 30243 1 479 . 1 1 41 41 VAL CB C 13 30.726 0.000 . 1 . . . . A 41 VAL CB . 30243 1 480 . 1 1 41 41 VAL CG1 C 13 21.784 0.000 . 2 . . . . A 41 VAL CG1 . 30243 1 481 . 1 1 41 41 VAL CG2 C 13 20.779 0.000 . 2 . . . . A 41 VAL CG2 . 30243 1 482 . 1 1 41 41 VAL N N 15 129.810 0.019 . 1 . . . . A 41 VAL N . 30243 1 483 . 1 1 42 42 LEU H H 1 9.190 0.007 . 1 . . . . A 42 LEU H . 30243 1 484 . 1 1 42 42 LEU HA H 1 3.929 0.002 . 1 . . . . A 42 LEU HA . 30243 1 485 . 1 1 42 42 LEU HB2 H 1 1.440 0.003 . 2 . . . . A 42 LEU HB2 . 30243 1 486 . 1 1 42 42 LEU HB3 H 1 1.789 0.008 . 2 . . . . A 42 LEU HB3 . 30243 1 487 . 1 1 42 42 LEU HG H 1 1.699 0.012 . 1 . . . . A 42 LEU HG . 30243 1 488 . 1 1 42 42 LEU HD11 H 1 0.734 0.002 . 2 . . . . A 42 LEU HD11 . 30243 1 489 . 1 1 42 42 LEU HD12 H 1 0.734 0.002 . 2 . . . . A 42 LEU HD12 . 30243 1 490 . 1 1 42 42 LEU HD13 H 1 0.734 0.002 . 2 . . . . A 42 LEU HD13 . 30243 1 491 . 1 1 42 42 LEU HD21 H 1 0.687 0.002 . 2 . . . . A 42 LEU HD21 . 30243 1 492 . 1 1 42 42 LEU HD22 H 1 0.687 0.002 . 2 . . . . A 42 LEU HD22 . 30243 1 493 . 1 1 42 42 LEU HD23 H 1 0.687 0.002 . 2 . . . . A 42 LEU HD23 . 30243 1 494 . 1 1 42 42 LEU C C 13 176.223 0.000 . 1 . . . . A 42 LEU C . 30243 1 495 . 1 1 42 42 LEU CA C 13 58.544 0.000 . 1 . . . . A 42 LEU CA . 30243 1 496 . 1 1 42 42 LEU CB C 13 40.976 0.011 . 1 . . . . A 42 LEU CB . 30243 1 497 . 1 1 42 42 LEU CG C 13 26.946 0.000 . 1 . . . . A 42 LEU CG . 30243 1 498 . 1 1 42 42 LEU CD1 C 13 26.305 0.000 . 2 . . . . A 42 LEU CD1 . 30243 1 499 . 1 1 42 42 LEU CD2 C 13 22.727 0.000 . 2 . . . . A 42 LEU CD2 . 30243 1 500 . 1 1 42 42 LEU N N 15 130.132 0.049 . 1 . . . . A 42 LEU N . 30243 1 501 . 1 1 43 43 SER H H 1 6.963 0.002 . 1 . . . . A 43 SER H . 30243 1 502 . 1 1 43 43 SER HA H 1 3.912 0.008 . 1 . . . . A 43 SER HA . 30243 1 503 . 1 1 43 43 SER HB2 H 1 3.775 0.001 . 2 . . . . A 43 SER HB2 . 30243 1 504 . 1 1 43 43 SER HB3 H 1 2.603 0.015 . 2 . . . . A 43 SER HB3 . 30243 1 505 . 1 1 43 43 SER C C 13 175.488 0.000 . 1 . . . . A 43 SER C . 30243 1 506 . 1 1 43 43 SER CA C 13 59.397 0.000 . 1 . . . . A 43 SER CA . 30243 1 507 . 1 1 43 43 SER CB C 13 61.174 0.023 . 1 . . . . A 43 SER CB . 30243 1 508 . 1 1 43 43 SER N N 15 109.709 0.015 . 1 . . . . A 43 SER N . 30243 1 509 . 1 1 44 44 THR H H 1 7.649 0.002 . 1 . . . . A 44 THR H . 30243 1 510 . 1 1 44 44 THR HA H 1 4.501 0.001 . 1 . . . . A 44 THR HA . 30243 1 511 . 1 1 44 44 THR HB H 1 4.655 0.003 . 1 . . . . A 44 THR HB . 30243 1 512 . 1 1 44 44 THR HG1 H 1 4.961 0.001 . 1 . . . . A 44 THR HG1 . 30243 1 513 . 1 1 44 44 THR HG21 H 1 1.207 0.004 . 1 . . . . A 44 THR HG21 . 30243 1 514 . 1 1 44 44 THR HG22 H 1 1.207 0.004 . 1 . . . . A 44 THR HG22 . 30243 1 515 . 1 1 44 44 THR HG23 H 1 1.207 0.004 . 1 . . . . A 44 THR HG23 . 30243 1 516 . 1 1 44 44 THR C C 13 173.629 0.000 . 1 . . . . A 44 THR C . 30243 1 517 . 1 1 44 44 THR CA C 13 61.997 0.002 . 1 . . . . A 44 THR CA . 30243 1 518 . 1 1 44 44 THR CB C 13 69.694 0.001 . 1 . . . . A 44 THR CB . 30243 1 519 . 1 1 44 44 THR CG2 C 13 20.950 0.000 . 1 . . . . A 44 THR CG2 . 30243 1 520 . 1 1 44 44 THR N N 15 110.348 0.026 . 1 . . . . A 44 THR N . 30243 1 521 . 1 1 45 45 ILE H H 1 7.117 0.004 . 1 . . . . A 45 ILE H . 30243 1 522 . 1 1 45 45 ILE HA H 1 4.297 0.003 . 1 . . . . A 45 ILE HA . 30243 1 523 . 1 1 45 45 ILE HB H 1 2.302 0.004 . 1 . . . . A 45 ILE HB . 30243 1 524 . 1 1 45 45 ILE HG12 H 1 1.071 0.001 . 2 . . . . A 45 ILE HG12 . 30243 1 525 . 1 1 45 45 ILE HG13 H 1 1.704 0.002 . 2 . . . . A 45 ILE HG13 . 30243 1 526 . 1 1 45 45 ILE HG21 H 1 0.892 0.003 . 1 . . . . A 45 ILE HG21 . 30243 1 527 . 1 1 45 45 ILE HG22 H 1 0.892 0.003 . 1 . . . . A 45 ILE HG22 . 30243 1 528 . 1 1 45 45 ILE HG23 H 1 0.892 0.003 . 1 . . . . A 45 ILE HG23 . 30243 1 529 . 1 1 45 45 ILE HD11 H 1 0.591 0.006 . 1 . . . . A 45 ILE HD11 . 30243 1 530 . 1 1 45 45 ILE HD12 H 1 0.591 0.006 . 1 . . . . A 45 ILE HD12 . 30243 1 531 . 1 1 45 45 ILE HD13 H 1 0.591 0.006 . 1 . . . . A 45 ILE HD13 . 30243 1 532 . 1 1 45 45 ILE C C 13 173.789 0.000 . 1 . . . . A 45 ILE C . 30243 1 533 . 1 1 45 45 ILE CA C 13 57.856 0.002 . 1 . . . . A 45 ILE CA . 30243 1 534 . 1 1 45 45 ILE CB C 13 36.476 0.002 . 1 . . . . A 45 ILE CB . 30243 1 535 . 1 1 45 45 ILE CG1 C 13 27.231 0.013 . 1 . . . . A 45 ILE CG1 . 30243 1 536 . 1 1 45 45 ILE CG2 C 13 18.814 0.000 . 1 . . . . A 45 ILE CG2 . 30243 1 537 . 1 1 45 45 ILE CD1 C 13 8.721 0.000 . 1 . . . . A 45 ILE CD1 . 30243 1 538 . 1 1 45 45 ILE N N 15 120.945 0.028 . 1 . . . . A 45 ILE N . 30243 1 539 . 1 1 46 46 ASP H H 1 9.322 0.003 . 1 . . . . A 46 ASP H . 30243 1 540 . 1 1 46 46 ASP HA H 1 4.694 0.021 . 1 . . . . A 46 ASP HA . 30243 1 541 . 1 1 46 46 ASP HB2 H 1 2.441 0.004 . 2 . . . . A 46 ASP HB2 . 30243 1 542 . 1 1 46 46 ASP HB3 H 1 2.515 0.002 . 2 . . . . A 46 ASP HB3 . 30243 1 543 . 1 1 46 46 ASP C C 13 175.562 0.000 . 1 . . . . A 46 ASP C . 30243 1 544 . 1 1 46 46 ASP CA C 13 54.675 0.003 . 1 . . . . A 46 ASP CA . 30243 1 545 . 1 1 46 46 ASP CB C 13 44.544 0.006 . 1 . . . . A 46 ASP CB . 30243 1 546 . 1 1 46 46 ASP N N 15 126.345 0.029 . 1 . . . . A 46 ASP N . 30243 1 547 . 1 1 47 47 LYS H H 1 7.586 0.002 . 1 . . . . A 47 LYS H . 30243 1 548 . 1 1 47 47 LYS HA H 1 4.719 0.002 . 1 . . . . A 47 LYS HA . 30243 1 549 . 1 1 47 47 LYS HB2 H 1 1.675 0.002 . 2 . . . . A 47 LYS HB2 . 30243 1 550 . 1 1 47 47 LYS HB3 H 1 1.831 0.012 . 2 . . . . A 47 LYS HB3 . 30243 1 551 . 1 1 47 47 LYS HG2 H 1 1.251 0.003 . 2 . . . . A 47 LYS HG2 . 30243 1 552 . 1 1 47 47 LYS HG3 H 1 1.317 0.006 . 2 . . . . A 47 LYS HG3 . 30243 1 553 . 1 1 47 47 LYS HD2 H 1 1.656 0.000 . 2 . . . . A 47 LYS HD2 . 30243 1 554 . 1 1 47 47 LYS HD3 H 1 1.606 0.000 . 2 . . . . A 47 LYS HD3 . 30243 1 555 . 1 1 47 47 LYS HE2 H 1 2.920 0.000 . 2 . . . . A 47 LYS HE2 . 30243 1 556 . 1 1 47 47 LYS HE3 H 1 2.935 0.015 . 2 . . . . A 47 LYS HE3 . 30243 1 557 . 1 1 47 47 LYS C C 13 172.923 0.000 . 1 . . . . A 47 LYS C . 30243 1 558 . 1 1 47 47 LYS CA C 13 54.256 0.000 . 1 . . . . A 47 LYS CA . 30243 1 559 . 1 1 47 47 LYS CB C 13 36.525 0.001 . 1 . . . . A 47 LYS CB . 30243 1 560 . 1 1 47 47 LYS CG C 13 24.307 0.008 . 1 . . . . A 47 LYS CG . 30243 1 561 . 1 1 47 47 LYS CD C 13 29.215 0.006 . 1 . . . . A 47 LYS CD . 30243 1 562 . 1 1 47 47 LYS CE C 13 41.729 0.000 . 1 . . . . A 47 LYS CE . 30243 1 563 . 1 1 47 47 LYS N N 15 112.561 0.024 . 1 . . . . A 47 LYS N . 30243 1 564 . 1 1 48 48 LEU H H 1 8.701 0.003 . 1 . . . . A 48 LEU H . 30243 1 565 . 1 1 48 48 LEU HA H 1 5.222 0.003 . 1 . . . . A 48 LEU HA . 30243 1 566 . 1 1 48 48 LEU HB2 H 1 1.381 0.005 . 2 . . . . A 48 LEU HB2 . 30243 1 567 . 1 1 48 48 LEU HB3 H 1 1.678 0.004 . 2 . . . . A 48 LEU HB3 . 30243 1 568 . 1 1 48 48 LEU HG H 1 1.578 0.005 . 1 . . . . A 48 LEU HG . 30243 1 569 . 1 1 48 48 LEU HD11 H 1 0.734 0.010 . 2 . . . . A 48 LEU HD11 . 30243 1 570 . 1 1 48 48 LEU HD12 H 1 0.734 0.010 . 2 . . . . A 48 LEU HD12 . 30243 1 571 . 1 1 48 48 LEU HD13 H 1 0.734 0.010 . 2 . . . . A 48 LEU HD13 . 30243 1 572 . 1 1 48 48 LEU HD21 H 1 0.908 0.012 . 2 . . . . A 48 LEU HD21 . 30243 1 573 . 1 1 48 48 LEU HD22 H 1 0.908 0.012 . 2 . . . . A 48 LEU HD22 . 30243 1 574 . 1 1 48 48 LEU HD23 H 1 0.908 0.012 . 2 . . . . A 48 LEU HD23 . 30243 1 575 . 1 1 48 48 LEU C C 13 175.606 0.000 . 1 . . . . A 48 LEU C . 30243 1 576 . 1 1 48 48 LEU CA C 13 53.241 0.001 . 1 . . . . A 48 LEU CA . 30243 1 577 . 1 1 48 48 LEU CB C 13 45.031 0.017 . 1 . . . . A 48 LEU CB . 30243 1 578 . 1 1 48 48 LEU CG C 13 27.510 0.000 . 1 . . . . A 48 LEU CG . 30243 1 579 . 1 1 48 48 LEU CD1 C 13 26.303 0.000 . 2 . . . . A 48 LEU CD1 . 30243 1 580 . 1 1 48 48 LEU CD2 C 13 26.464 0.000 . 2 . . . . A 48 LEU CD2 . 30243 1 581 . 1 1 48 48 LEU N N 15 122.524 0.001 . 1 . . . . A 48 LEU N . 30243 1 582 . 1 1 49 49 GLN H H 1 9.269 0.003 . 1 . . . . A 49 GLN H . 30243 1 583 . 1 1 49 49 GLN HA H 1 4.886 0.009 . 1 . . . . A 49 GLN HA . 30243 1 584 . 1 1 49 49 GLN HB2 H 1 1.956 0.004 . 2 . . . . A 49 GLN HB2 . 30243 1 585 . 1 1 49 49 GLN HB3 H 1 1.959 0.003 . 2 . . . . A 49 GLN HB3 . 30243 1 586 . 1 1 49 49 GLN HG2 H 1 2.068 0.011 . 2 . . . . A 49 GLN HG2 . 30243 1 587 . 1 1 49 49 GLN HG3 H 1 2.319 0.006 . 2 . . . . A 49 GLN HG3 . 30243 1 588 . 1 1 49 49 GLN HE21 H 1 6.931 0.004 . 1 . . . . A 49 GLN HE21 . 30243 1 589 . 1 1 49 49 GLN HE22 H 1 7.541 0.004 . 1 . . . . A 49 GLN HE22 . 30243 1 590 . 1 1 49 49 GLN C C 13 174.066 0.000 . 1 . . . . A 49 GLN C . 30243 1 591 . 1 1 49 49 GLN CA C 13 54.127 0.001 . 1 . . . . A 49 GLN CA . 30243 1 592 . 1 1 49 49 GLN CB C 13 32.680 0.001 . 1 . . . . A 49 GLN CB . 30243 1 593 . 1 1 49 49 GLN CG C 13 33.603 0.000 . 1 . . . . A 49 GLN CG . 30243 1 594 . 1 1 49 49 GLN CD C 13 179.087 0.023 . 1 . . . . A 49 GLN CD . 30243 1 595 . 1 1 49 49 GLN N N 15 123.340 0.014 . 1 . . . . A 49 GLN N . 30243 1 596 . 1 1 49 49 GLN NE2 N 15 111.690 0.033 . 1 . . . . A 49 GLN NE2 . 30243 1 597 . 1 1 50 50 ALA H H 1 8.861 0.006 . 1 . . . . A 50 ALA H . 30243 1 598 . 1 1 50 50 ALA HA H 1 5.589 0.009 . 1 . . . . A 50 ALA HA . 30243 1 599 . 1 1 50 50 ALA HB1 H 1 1.350 0.001 . 1 . . . . A 50 ALA HB1 . 30243 1 600 . 1 1 50 50 ALA HB2 H 1 1.350 0.001 . 1 . . . . A 50 ALA HB2 . 30243 1 601 . 1 1 50 50 ALA HB3 H 1 1.350 0.001 . 1 . . . . A 50 ALA HB3 . 30243 1 602 . 1 1 50 50 ALA C C 13 177.233 0.000 . 1 . . . . A 50 ALA C . 30243 1 603 . 1 1 50 50 ALA CA C 13 50.131 0.003 . 1 . . . . A 50 ALA CA . 30243 1 604 . 1 1 50 50 ALA CB C 13 23.318 0.001 . 1 . . . . A 50 ALA CB . 30243 1 605 . 1 1 50 50 ALA N N 15 125.140 0.043 . 1 . . . . A 50 ALA N . 30243 1 606 . 1 1 51 51 THR H H 1 8.231 0.001 . 1 . . . . A 51 THR H . 30243 1 607 . 1 1 51 51 THR HA H 1 4.435 0.002 . 1 . . . . A 51 THR HA . 30243 1 608 . 1 1 51 51 THR HB H 1 4.320 0.008 . 1 . . . . A 51 THR HB . 30243 1 609 . 1 1 51 51 THR HG21 H 1 1.104 0.012 . 1 . . . . A 51 THR HG21 . 30243 1 610 . 1 1 51 51 THR HG22 H 1 1.104 0.012 . 1 . . . . A 51 THR HG22 . 30243 1 611 . 1 1 51 51 THR HG23 H 1 1.104 0.012 . 1 . . . . A 51 THR HG23 . 30243 1 612 . 1 1 51 51 THR CA C 13 59.413 0.000 . 1 . . . . A 51 THR CA . 30243 1 613 . 1 1 51 51 THR CB C 13 67.911 0.000 . 1 . . . . A 51 THR CB . 30243 1 614 . 1 1 51 51 THR CG2 C 13 23.872 0.000 . 1 . . . . A 51 THR CG2 . 30243 1 615 . 1 1 51 51 THR N N 15 113.477 0.013 . 1 . . . . A 51 THR N . 30243 1 616 . 1 1 52 52 PRO HA H 1 4.603 0.000 . 1 . . . . A 52 PRO HA . 30243 1 617 . 1 1 52 52 PRO HB2 H 1 2.081 0.000 . 2 . . . . A 52 PRO HB2 . 30243 1 618 . 1 1 52 52 PRO HB3 H 1 2.397 0.000 . 2 . . . . A 52 PRO HB3 . 30243 1 619 . 1 1 52 52 PRO HG2 H 1 1.983 0.003 . 2 . . . . A 52 PRO HG2 . 30243 1 620 . 1 1 52 52 PRO HG3 H 1 2.092 0.000 . 2 . . . . A 52 PRO HG3 . 30243 1 621 . 1 1 52 52 PRO HD2 H 1 3.837 0.005 . 2 . . . . A 52 PRO HD2 . 30243 1 622 . 1 1 52 52 PRO HD3 H 1 3.589 0.003 . 2 . . . . A 52 PRO HD3 . 30243 1 623 . 1 1 52 52 PRO CA C 13 62.490 0.000 . 1 . . . . A 52 PRO CA . 30243 1 624 . 1 1 52 52 PRO CB C 13 32.622 0.000 . 1 . . . . A 52 PRO CB . 30243 1 625 . 1 1 52 52 PRO CG C 13 27.469 0.005 . 1 . . . . A 52 PRO CG . 30243 1 626 . 1 1 52 52 PRO CD C 13 50.505 0.011 . 1 . . . . A 52 PRO CD . 30243 1 627 . 1 1 53 53 ALA HA H 1 4.056 0.008 . 1 . . . . A 53 ALA HA . 30243 1 628 . 1 1 53 53 ALA HB1 H 1 1.440 0.002 . 1 . . . . A 53 ALA HB1 . 30243 1 629 . 1 1 53 53 ALA HB2 H 1 1.440 0.002 . 1 . . . . A 53 ALA HB2 . 30243 1 630 . 1 1 53 53 ALA HB3 H 1 1.440 0.002 . 1 . . . . A 53 ALA HB3 . 30243 1 631 . 1 1 53 53 ALA C C 13 177.505 0.000 . 1 . . . . A 53 ALA C . 30243 1 632 . 1 1 53 53 ALA CA C 13 54.696 0.001 . 1 . . . . A 53 ALA CA . 30243 1 633 . 1 1 53 53 ALA CB C 13 17.872 0.001 . 1 . . . . A 53 ALA CB . 30243 1 634 . 1 1 54 54 SER H H 1 7.608 0.002 . 1 . . . . A 54 SER H . 30243 1 635 . 1 1 54 54 SER HA H 1 4.249 0.004 . 1 . . . . A 54 SER HA . 30243 1 636 . 1 1 54 54 SER HB2 H 1 3.806 0.010 . 2 . . . . A 54 SER HB2 . 30243 1 637 . 1 1 54 54 SER HB3 H 1 4.061 0.003 . 2 . . . . A 54 SER HB3 . 30243 1 638 . 1 1 54 54 SER C C 13 174.839 0.000 . 1 . . . . A 54 SER C . 30243 1 639 . 1 1 54 54 SER CA C 13 57.798 0.001 . 1 . . . . A 54 SER CA . 30243 1 640 . 1 1 54 54 SER CB C 13 62.840 0.000 . 1 . . . . A 54 SER CB . 30243 1 641 . 1 1 54 54 SER N N 15 107.282 0.017 . 1 . . . . A 54 SER N . 30243 1 642 . 1 1 55 55 SER H H 1 7.635 0.002 . 1 . . . . A 55 SER H . 30243 1 643 . 1 1 55 55 SER HA H 1 4.511 0.001 . 1 . . . . A 55 SER HA . 30243 1 644 . 1 1 55 55 SER HB2 H 1 3.888 0.005 . 2 . . . . A 55 SER HB2 . 30243 1 645 . 1 1 55 55 SER HB3 H 1 3.988 0.006 . 2 . . . . A 55 SER HB3 . 30243 1 646 . 1 1 55 55 SER C C 13 174.888 0.000 . 1 . . . . A 55 SER C . 30243 1 647 . 1 1 55 55 SER CA C 13 57.328 0.001 . 1 . . . . A 55 SER CA . 30243 1 648 . 1 1 55 55 SER CB C 13 63.847 0.008 . 1 . . . . A 55 SER CB . 30243 1 649 . 1 1 55 55 SER N N 15 117.035 0.019 . 1 . . . . A 55 SER N . 30243 1 650 . 1 1 56 56 GLU H H 1 8.920 0.002 . 1 . . . . A 56 GLU H . 30243 1 651 . 1 1 56 56 GLU HA H 1 4.151 0.006 . 1 . . . . A 56 GLU HA . 30243 1 652 . 1 1 56 56 GLU HB2 H 1 2.028 0.002 . 2 . . . . A 56 GLU HB2 . 30243 1 653 . 1 1 56 56 GLU HB3 H 1 2.126 0.001 . 2 . . . . A 56 GLU HB3 . 30243 1 654 . 1 1 56 56 GLU HG2 H 1 2.359 0.006 . 2 . . . . A 56 GLU HG2 . 30243 1 655 . 1 1 56 56 GLU HG3 H 1 2.273 0.013 . 2 . . . . A 56 GLU HG3 . 30243 1 656 . 1 1 56 56 GLU C C 13 177.598 0.000 . 1 . . . . A 56 GLU C . 30243 1 657 . 1 1 56 56 GLU CA C 13 57.837 0.000 . 1 . . . . A 56 GLU CA . 30243 1 658 . 1 1 56 56 GLU CB C 13 29.430 0.016 . 1 . . . . A 56 GLU CB . 30243 1 659 . 1 1 56 56 GLU CG C 13 36.455 0.000 . 1 . . . . A 56 GLU CG . 30243 1 660 . 1 1 56 56 GLU N N 15 125.558 0.008 . 1 . . . . A 56 GLU N . 30243 1 661 . 1 1 57 57 LYS H H 1 8.062 0.002 . 1 . . . . A 57 LYS H . 30243 1 662 . 1 1 57 57 LYS HA H 1 4.301 0.005 . 1 . . . . A 57 LYS HA . 30243 1 663 . 1 1 57 57 LYS HB2 H 1 1.750 0.006 . 2 . . . . A 57 LYS HB2 . 30243 1 664 . 1 1 57 57 LYS HB3 H 1 1.669 0.008 . 2 . . . . A 57 LYS HB3 . 30243 1 665 . 1 1 57 57 LYS HG2 H 1 1.459 0.004 . 2 . . . . A 57 LYS HG2 . 30243 1 666 . 1 1 57 57 LYS HG3 H 1 1.376 0.005 . 2 . . . . A 57 LYS HG3 . 30243 1 667 . 1 1 57 57 LYS HD2 H 1 1.601 0.007 . 2 . . . . A 57 LYS HD2 . 30243 1 668 . 1 1 57 57 LYS HD3 H 1 1.608 0.000 . 2 . . . . A 57 LYS HD3 . 30243 1 669 . 1 1 57 57 LYS HE2 H 1 2.932 0.000 . 1 . . . . A 57 LYS HE2 . 30243 1 670 . 1 1 57 57 LYS HE3 H 1 2.932 0.000 . 1 . . . . A 57 LYS HE3 . 30243 1 671 . 1 1 57 57 LYS C C 13 175.831 0.000 . 1 . . . . A 57 LYS C . 30243 1 672 . 1 1 57 57 LYS CA C 13 55.677 0.126 . 1 . . . . A 57 LYS CA . 30243 1 673 . 1 1 57 57 LYS CB C 13 33.587 0.001 . 1 . . . . A 57 LYS CB . 30243 1 674 . 1 1 57 57 LYS CG C 13 25.217 0.000 . 1 . . . . A 57 LYS CG . 30243 1 675 . 1 1 57 57 LYS CD C 13 29.404 0.000 . 1 . . . . A 57 LYS CD . 30243 1 676 . 1 1 57 57 LYS CE C 13 41.913 0.000 . 1 . . . . A 57 LYS CE . 30243 1 677 . 1 1 57 57 LYS N N 15 118.954 0.016 . 1 . . . . A 57 LYS N . 30243 1 678 . 1 1 58 58 MET H H 1 8.832 0.006 . 1 . . . . A 58 MET H . 30243 1 679 . 1 1 58 58 MET HA H 1 4.321 0.005 . 1 . . . . A 58 MET HA . 30243 1 680 . 1 1 58 58 MET HB2 H 1 2.411 0.008 . 2 . . . . A 58 MET HB2 . 30243 1 681 . 1 1 58 58 MET HB3 H 1 2.126 0.008 . 2 . . . . A 58 MET HB3 . 30243 1 682 . 1 1 58 58 MET HG2 H 1 2.330 0.000 . 1 . . . . A 58 MET HG2 . 30243 1 683 . 1 1 58 58 MET HG3 H 1 2.330 0.000 . 1 . . . . A 58 MET HG3 . 30243 1 684 . 1 1 58 58 MET HE1 H 1 2.080 0.010 . 1 . . . . A 58 MET HE1 . 30243 1 685 . 1 1 58 58 MET HE2 H 1 2.080 0.010 . 1 . . . . A 58 MET HE2 . 30243 1 686 . 1 1 58 58 MET HE3 H 1 2.080 0.010 . 1 . . . . A 58 MET HE3 . 30243 1 687 . 1 1 58 58 MET C C 13 174.148 0.000 . 1 . . . . A 58 MET C . 30243 1 688 . 1 1 58 58 MET CA C 13 54.871 0.000 . 1 . . . . A 58 MET CA . 30243 1 689 . 1 1 58 58 MET CB C 13 35.085 0.001 . 1 . . . . A 58 MET CB . 30243 1 690 . 1 1 58 58 MET CG C 13 32.438 0.000 . 1 . . . . A 58 MET CG . 30243 1 691 . 1 1 58 58 MET CE C 13 18.784 0.000 . 1 . . . . A 58 MET CE . 30243 1 692 . 1 1 58 58 MET N N 15 124.358 0.006 . 1 . . . . A 58 MET N . 30243 1 693 . 1 1 59 59 MET H H 1 8.381 0.002 . 1 . . . . A 59 MET H . 30243 1 694 . 1 1 59 59 MET HA H 1 5.694 0.002 . 1 . . . . A 59 MET HA . 30243 1 695 . 1 1 59 59 MET HB2 H 1 2.130 0.005 . 2 . . . . A 59 MET HB2 . 30243 1 696 . 1 1 59 59 MET HB3 H 1 1.877 0.002 . 2 . . . . A 59 MET HB3 . 30243 1 697 . 1 1 59 59 MET HG2 H 1 2.674 0.010 . 2 . . . . A 59 MET HG2 . 30243 1 698 . 1 1 59 59 MET HG3 H 1 2.360 0.007 . 2 . . . . A 59 MET HG3 . 30243 1 699 . 1 1 59 59 MET HE1 H 1 1.907 0.003 . 1 . . . . A 59 MET HE1 . 30243 1 700 . 1 1 59 59 MET HE2 H 1 1.907 0.003 . 1 . . . . A 59 MET HE2 . 30243 1 701 . 1 1 59 59 MET HE3 H 1 1.907 0.003 . 1 . . . . A 59 MET HE3 . 30243 1 702 . 1 1 59 59 MET C C 13 173.985 0.000 . 1 . . . . A 59 MET C . 30243 1 703 . 1 1 59 59 MET CA C 13 54.802 0.002 . 1 . . . . A 59 MET CA . 30243 1 704 . 1 1 59 59 MET CB C 13 38.553 0.005 . 1 . . . . A 59 MET CB . 30243 1 705 . 1 1 59 59 MET CG C 13 31.886 0.005 . 1 . . . . A 59 MET CG . 30243 1 706 . 1 1 59 59 MET CE C 13 17.373 0.000 . 1 . . . . A 59 MET CE . 30243 1 707 . 1 1 59 59 MET N N 15 121.603 0.020 . 1 . . . . A 59 MET N . 30243 1 708 . 1 1 60 60 LEU H H 1 9.077 0.002 . 1 . . . . A 60 LEU H . 30243 1 709 . 1 1 60 60 LEU HA H 1 5.456 0.009 . 1 . . . . A 60 LEU HA . 30243 1 710 . 1 1 60 60 LEU HB2 H 1 1.707 0.004 . 2 . . . . A 60 LEU HB2 . 30243 1 711 . 1 1 60 60 LEU HB3 H 1 1.831 0.015 . 2 . . . . A 60 LEU HB3 . 30243 1 712 . 1 1 60 60 LEU HG H 1 1.831 0.020 . 1 . . . . A 60 LEU HG . 30243 1 713 . 1 1 60 60 LEU HD11 H 1 0.879 0.009 . 2 . . . . A 60 LEU HD11 . 30243 1 714 . 1 1 60 60 LEU HD12 H 1 0.879 0.009 . 2 . . . . A 60 LEU HD12 . 30243 1 715 . 1 1 60 60 LEU HD13 H 1 0.879 0.009 . 2 . . . . A 60 LEU HD13 . 30243 1 716 . 1 1 60 60 LEU HD21 H 1 0.986 0.005 . 2 . . . . A 60 LEU HD21 . 30243 1 717 . 1 1 60 60 LEU HD22 H 1 0.986 0.005 . 2 . . . . A 60 LEU HD22 . 30243 1 718 . 1 1 60 60 LEU HD23 H 1 0.986 0.005 . 2 . . . . A 60 LEU HD23 . 30243 1 719 . 1 1 60 60 LEU C C 13 175.157 0.000 . 1 . . . . A 60 LEU C . 30243 1 720 . 1 1 60 60 LEU CA C 13 53.026 0.002 . 1 . . . . A 60 LEU CA . 30243 1 721 . 1 1 60 60 LEU CB C 13 47.234 0.008 . 1 . . . . A 60 LEU CB . 30243 1 722 . 1 1 60 60 LEU CG C 13 26.950 0.000 . 1 . . . . A 60 LEU CG . 30243 1 723 . 1 1 60 60 LEU CD1 C 13 25.425 0.000 . 2 . . . . A 60 LEU CD1 . 30243 1 724 . 1 1 60 60 LEU CD2 C 13 24.970 0.000 . 2 . . . . A 60 LEU CD2 . 30243 1 725 . 1 1 60 60 LEU N N 15 119.533 0.011 . 1 . . . . A 60 LEU N . 30243 1 726 . 1 1 61 61 ARG H H 1 9.420 0.004 . 1 . . . . A 61 ARG H . 30243 1 727 . 1 1 61 61 ARG HA H 1 5.462 0.006 . 1 . . . . A 61 ARG HA . 30243 1 728 . 1 1 61 61 ARG HB2 H 1 1.662 0.016 . 2 . . . . A 61 ARG HB2 . 30243 1 729 . 1 1 61 61 ARG HB3 H 1 1.378 0.016 . 2 . . . . A 61 ARG HB3 . 30243 1 730 . 1 1 61 61 ARG HG2 H 1 1.253 0.000 . 2 . . . . A 61 ARG HG2 . 30243 1 731 . 1 1 61 61 ARG HG3 H 1 1.324 0.000 . 2 . . . . A 61 ARG HG3 . 30243 1 732 . 1 1 61 61 ARG HD2 H 1 2.921 0.000 . 2 . . . . A 61 ARG HD2 . 30243 1 733 . 1 1 61 61 ARG HD3 H 1 2.798 0.000 . 2 . . . . A 61 ARG HD3 . 30243 1 734 . 1 1 61 61 ARG C C 13 174.110 0.000 . 1 . . . . A 61 ARG C . 30243 1 735 . 1 1 61 61 ARG CA C 13 54.432 0.001 . 1 . . . . A 61 ARG CA . 30243 1 736 . 1 1 61 61 ARG CB C 13 34.633 0.007 . 1 . . . . A 61 ARG CB . 30243 1 737 . 1 1 61 61 ARG CG C 13 26.949 0.003 . 1 . . . . A 61 ARG CG . 30243 1 738 . 1 1 61 61 ARG CD C 13 44.109 0.007 . 1 . . . . A 61 ARG CD . 30243 1 739 . 1 1 61 61 ARG N N 15 122.165 0.006 . 1 . . . . A 61 ARG N . 30243 1 740 . 1 1 62 62 LEU H H 1 9.346 0.003 . 1 . . . . A 62 LEU H . 30243 1 741 . 1 1 62 62 LEU HA H 1 5.046 0.001 . 1 . . . . A 62 LEU HA . 30243 1 742 . 1 1 62 62 LEU HB2 H 1 1.697 0.010 . 2 . . . . A 62 LEU HB2 . 30243 1 743 . 1 1 62 62 LEU HB3 H 1 1.942 0.013 . 2 . . . . A 62 LEU HB3 . 30243 1 744 . 1 1 62 62 LEU HG H 1 1.848 0.007 . 1 . . . . A 62 LEU HG . 30243 1 745 . 1 1 62 62 LEU HD11 H 1 0.899 0.002 . 2 . . . . A 62 LEU HD11 . 30243 1 746 . 1 1 62 62 LEU HD12 H 1 0.899 0.002 . 2 . . . . A 62 LEU HD12 . 30243 1 747 . 1 1 62 62 LEU HD13 H 1 0.899 0.002 . 2 . . . . A 62 LEU HD13 . 30243 1 748 . 1 1 62 62 LEU HD21 H 1 1.015 0.005 . 2 . . . . A 62 LEU HD21 . 30243 1 749 . 1 1 62 62 LEU HD22 H 1 1.015 0.005 . 2 . . . . A 62 LEU HD22 . 30243 1 750 . 1 1 62 62 LEU HD23 H 1 1.015 0.005 . 2 . . . . A 62 LEU HD23 . 30243 1 751 . 1 1 62 62 LEU C C 13 175.476 0.000 . 1 . . . . A 62 LEU C . 30243 1 752 . 1 1 62 62 LEU CA C 13 54.470 0.002 . 1 . . . . A 62 LEU CA . 30243 1 753 . 1 1 62 62 LEU CB C 13 42.623 0.028 . 1 . . . . A 62 LEU CB . 30243 1 754 . 1 1 62 62 LEU CG C 13 28.903 0.000 . 1 . . . . A 62 LEU CG . 30243 1 755 . 1 1 62 62 LEU CD1 C 13 26.900 0.000 . 2 . . . . A 62 LEU CD1 . 30243 1 756 . 1 1 62 62 LEU CD2 C 13 25.240 0.000 . 2 . . . . A 62 LEU CD2 . 30243 1 757 . 1 1 62 62 LEU N N 15 126.615 0.037 . 1 . . . . A 62 LEU N . 30243 1 758 . 1 1 63 63 ILE H H 1 8.949 0.004 . 1 . . . . A 63 ILE H . 30243 1 759 . 1 1 63 63 ILE HA H 1 4.603 0.002 . 1 . . . . A 63 ILE HA . 30243 1 760 . 1 1 63 63 ILE HB H 1 1.913 0.012 . 1 . . . . A 63 ILE HB . 30243 1 761 . 1 1 63 63 ILE HG12 H 1 1.327 0.003 . 2 . . . . A 63 ILE HG12 . 30243 1 762 . 1 1 63 63 ILE HG13 H 1 1.063 0.001 . 2 . . . . A 63 ILE HG13 . 30243 1 763 . 1 1 63 63 ILE HG21 H 1 1.060 0.002 . 1 . . . . A 63 ILE HG21 . 30243 1 764 . 1 1 63 63 ILE HG22 H 1 1.060 0.002 . 1 . . . . A 63 ILE HG22 . 30243 1 765 . 1 1 63 63 ILE HG23 H 1 1.060 0.002 . 1 . . . . A 63 ILE HG23 . 30243 1 766 . 1 1 63 63 ILE HD11 H 1 0.686 0.008 . 1 . . . . A 63 ILE HD11 . 30243 1 767 . 1 1 63 63 ILE HD12 H 1 0.686 0.008 . 1 . . . . A 63 ILE HD12 . 30243 1 768 . 1 1 63 63 ILE HD13 H 1 0.686 0.008 . 1 . . . . A 63 ILE HD13 . 30243 1 769 . 1 1 63 63 ILE C C 13 176.351 0.000 . 1 . . . . A 63 ILE C . 30243 1 770 . 1 1 63 63 ILE CA C 13 59.481 0.004 . 1 . . . . A 63 ILE CA . 30243 1 771 . 1 1 63 63 ILE CB C 13 38.605 0.001 . 1 . . . . A 63 ILE CB . 30243 1 772 . 1 1 63 63 ILE CG1 C 13 27.296 0.011 . 1 . . . . A 63 ILE CG1 . 30243 1 773 . 1 1 63 63 ILE CG2 C 13 17.483 0.000 . 1 . . . . A 63 ILE CG2 . 30243 1 774 . 1 1 63 63 ILE CD1 C 13 12.048 0.000 . 1 . . . . A 63 ILE CD1 . 30243 1 775 . 1 1 63 63 ILE N N 15 123.626 0.031 . 1 . . . . A 63 ILE N . 30243 1 776 . 1 1 64 64 GLY H H 1 9.322 0.004 . 1 . . . . A 64 GLY H . 30243 1 777 . 1 1 64 64 GLY HA2 H 1 4.717 0.001 . 2 . . . . A 64 GLY HA2 . 30243 1 778 . 1 1 64 64 GLY HA3 H 1 4.057 0.002 . 2 . . . . A 64 GLY HA3 . 30243 1 779 . 1 1 64 64 GLY C C 13 172.531 0.000 . 1 . . . . A 64 GLY C . 30243 1 780 . 1 1 64 64 GLY CA C 13 45.321 0.025 . 1 . . . . A 64 GLY CA . 30243 1 781 . 1 1 64 64 GLY N N 15 115.586 0.018 . 1 . . . . A 64 GLY N . 30243 1 782 . 1 1 65 65 LYS H H 1 8.366 0.003 . 1 . . . . A 65 LYS H . 30243 1 783 . 1 1 65 65 LYS HA H 1 4.289 0.005 . 1 . . . . A 65 LYS HA . 30243 1 784 . 1 1 65 65 LYS HB2 H 1 1.598 0.003 . 2 . . . . A 65 LYS HB2 . 30243 1 785 . 1 1 65 65 LYS HB3 H 1 1.889 0.004 . 2 . . . . A 65 LYS HB3 . 30243 1 786 . 1 1 65 65 LYS HG2 H 1 1.405 0.003 . 2 . . . . A 65 LYS HG2 . 30243 1 787 . 1 1 65 65 LYS HG3 H 1 1.218 0.006 . 2 . . . . A 65 LYS HG3 . 30243 1 788 . 1 1 65 65 LYS HD2 H 1 1.599 0.000 . 2 . . . . A 65 LYS HD2 . 30243 1 789 . 1 1 65 65 LYS HD3 H 1 1.708 0.003 . 2 . . . . A 65 LYS HD3 . 30243 1 790 . 1 1 65 65 LYS HE2 H 1 2.839 0.000 . 2 . . . . A 65 LYS HE2 . 30243 1 791 . 1 1 65 65 LYS HE3 H 1 2.945 0.000 . 2 . . . . A 65 LYS HE3 . 30243 1 792 . 1 1 65 65 LYS C C 13 177.368 0.000 . 1 . . . . A 65 LYS C . 30243 1 793 . 1 1 65 65 LYS CA C 13 56.525 0.000 . 1 . . . . A 65 LYS CA . 30243 1 794 . 1 1 65 65 LYS CB C 13 34.225 0.001 . 1 . . . . A 65 LYS CB . 30243 1 795 . 1 1 65 65 LYS CG C 13 26.389 0.006 . 1 . . . . A 65 LYS CG . 30243 1 796 . 1 1 65 65 LYS CD C 13 29.382 0.007 . 1 . . . . A 65 LYS CD . 30243 1 797 . 1 1 65 65 LYS CE C 13 42.371 0.000 . 1 . . . . A 65 LYS CE . 30243 1 798 . 1 1 65 65 LYS N N 15 119.518 0.011 . 1 . . . . A 65 LYS N . 30243 1 799 . 1 1 66 66 VAL H H 1 8.619 0.002 . 1 . . . . A 66 VAL H . 30243 1 800 . 1 1 66 66 VAL HA H 1 4.094 0.003 . 1 . . . . A 66 VAL HA . 30243 1 801 . 1 1 66 66 VAL HB H 1 1.966 0.002 . 1 . . . . A 66 VAL HB . 30243 1 802 . 1 1 66 66 VAL HG11 H 1 0.892 0.007 . 2 . . . . A 66 VAL HG11 . 30243 1 803 . 1 1 66 66 VAL HG12 H 1 0.892 0.007 . 2 . . . . A 66 VAL HG12 . 30243 1 804 . 1 1 66 66 VAL HG13 H 1 0.892 0.007 . 2 . . . . A 66 VAL HG13 . 30243 1 805 . 1 1 66 66 VAL HG21 H 1 0.841 0.004 . 2 . . . . A 66 VAL HG21 . 30243 1 806 . 1 1 66 66 VAL HG22 H 1 0.841 0.004 . 2 . . . . A 66 VAL HG22 . 30243 1 807 . 1 1 66 66 VAL HG23 H 1 0.841 0.004 . 2 . . . . A 66 VAL HG23 . 30243 1 808 . 1 1 66 66 VAL C C 13 175.248 0.000 . 1 . . . . A 66 VAL C . 30243 1 809 . 1 1 66 66 VAL CA C 13 61.935 0.000 . 1 . . . . A 66 VAL CA . 30243 1 810 . 1 1 66 66 VAL CB C 13 33.186 0.000 . 1 . . . . A 66 VAL CB . 30243 1 811 . 1 1 66 66 VAL CG1 C 13 20.890 0.000 . 2 . . . . A 66 VAL CG1 . 30243 1 812 . 1 1 66 66 VAL CG2 C 13 21.296 0.000 . 2 . . . . A 66 VAL CG2 . 30243 1 813 . 1 1 66 66 VAL N N 15 122.039 0.020 . 1 . . . . A 66 VAL N . 30243 1 814 . 1 1 67 67 ASP H H 1 8.468 0.001 . 1 . . . . A 67 ASP H . 30243 1 815 . 1 1 67 67 ASP HA H 1 4.703 0.002 . 1 . . . . A 67 ASP HA . 30243 1 816 . 1 1 67 67 ASP HB2 H 1 2.580 0.000 . 2 . . . . A 67 ASP HB2 . 30243 1 817 . 1 1 67 67 ASP HB3 H 1 2.810 0.001 . 2 . . . . A 67 ASP HB3 . 30243 1 818 . 1 1 67 67 ASP C C 13 176.670 0.000 . 1 . . . . A 67 ASP C . 30243 1 819 . 1 1 67 67 ASP CA C 13 52.965 0.000 . 1 . . . . A 67 ASP CA . 30243 1 820 . 1 1 67 67 ASP CB C 13 40.888 0.009 . 1 . . . . A 67 ASP CB . 30243 1 821 . 1 1 67 67 ASP N N 15 125.472 0.018 . 1 . . . . A 67 ASP N . 30243 1 822 . 1 1 68 68 GLU H H 1 8.741 0.002 . 1 . . . . A 68 GLU H . 30243 1 823 . 1 1 68 68 GLU HA H 1 4.116 0.006 . 1 . . . . A 68 GLU HA . 30243 1 824 . 1 1 68 68 GLU HB2 H 1 2.165 0.005 . 2 . . . . A 68 GLU HB2 . 30243 1 825 . 1 1 68 68 GLU HB3 H 1 1.972 0.004 . 2 . . . . A 68 GLU HB3 . 30243 1 826 . 1 1 68 68 GLU HG2 H 1 2.335 0.000 . 2 . . . . A 68 GLU HG2 . 30243 1 827 . 1 1 68 68 GLU HG3 H 1 2.221 0.000 . 2 . . . . A 68 GLU HG3 . 30243 1 828 . 1 1 68 68 GLU C C 13 177.364 0.000 . 1 . . . . A 68 GLU C . 30243 1 829 . 1 1 68 68 GLU CA C 13 57.540 0.000 . 1 . . . . A 68 GLU CA . 30243 1 830 . 1 1 68 68 GLU CB C 13 29.547 0.001 . 1 . . . . A 68 GLU CB . 30243 1 831 . 1 1 68 68 GLU CG C 13 36.583 0.005 . 1 . . . . A 68 GLU CG . 30243 1 832 . 1 1 68 68 GLU N N 15 124.470 0.007 . 1 . . . . A 68 GLU N . 30243 1 833 . 1 1 69 69 SER H H 1 8.490 0.002 . 1 . . . . A 69 SER H . 30243 1 834 . 1 1 69 69 SER HA H 1 4.311 0.014 . 1 . . . . A 69 SER HA . 30243 1 835 . 1 1 69 69 SER HB2 H 1 3.925 0.003 . 2 . . . . A 69 SER HB2 . 30243 1 836 . 1 1 69 69 SER HB3 H 1 3.971 0.001 . 2 . . . . A 69 SER HB3 . 30243 1 837 . 1 1 69 69 SER C C 13 175.217 0.000 . 1 . . . . A 69 SER C . 30243 1 838 . 1 1 69 69 SER CA C 13 59.916 0.000 . 1 . . . . A 69 SER CA . 30243 1 839 . 1 1 69 69 SER CB C 13 63.354 0.003 . 1 . . . . A 69 SER CB . 30243 1 840 . 1 1 69 69 SER N N 15 115.730 0.009 . 1 . . . . A 69 SER N . 30243 1 841 . 1 1 70 70 LYS H H 1 7.720 0.001 . 1 . . . . A 70 LYS H . 30243 1 842 . 1 1 70 70 LYS HA H 1 4.387 0.004 . 1 . . . . A 70 LYS HA . 30243 1 843 . 1 1 70 70 LYS HB2 H 1 1.922 0.002 . 2 . . . . A 70 LYS HB2 . 30243 1 844 . 1 1 70 70 LYS HB3 H 1 1.754 0.005 . 2 . . . . A 70 LYS HB3 . 30243 1 845 . 1 1 70 70 LYS HG2 H 1 1.354 0.009 . 2 . . . . A 70 LYS HG2 . 30243 1 846 . 1 1 70 70 LYS HG3 H 1 1.455 0.006 . 2 . . . . A 70 LYS HG3 . 30243 1 847 . 1 1 70 70 LYS HD2 H 1 1.656 0.002 . 2 . . . . A 70 LYS HD2 . 30243 1 848 . 1 1 70 70 LYS HD3 H 1 1.659 0.000 . 2 . . . . A 70 LYS HD3 . 30243 1 849 . 1 1 70 70 LYS HE2 H 1 2.957 0.000 . 1 . . . . A 70 LYS HE2 . 30243 1 850 . 1 1 70 70 LYS HE3 H 1 2.957 0.000 . 1 . . . . A 70 LYS HE3 . 30243 1 851 . 1 1 70 70 LYS C C 13 176.226 0.000 . 1 . . . . A 70 LYS C . 30243 1 852 . 1 1 70 70 LYS CA C 13 55.339 0.001 . 1 . . . . A 70 LYS CA . 30243 1 853 . 1 1 70 70 LYS CB C 13 32.227 0.001 . 1 . . . . A 70 LYS CB . 30243 1 854 . 1 1 70 70 LYS CG C 13 24.766 0.004 . 1 . . . . A 70 LYS CG . 30243 1 855 . 1 1 70 70 LYS CD C 13 28.869 0.000 . 1 . . . . A 70 LYS CD . 30243 1 856 . 1 1 70 70 LYS CE C 13 41.821 0.000 . 1 . . . . A 70 LYS CE . 30243 1 857 . 1 1 70 70 LYS N N 15 121.828 0.012 . 1 . . . . A 70 LYS N . 30243 1 858 . 1 1 71 71 LYS H H 1 7.795 0.002 . 1 . . . . A 71 LYS H . 30243 1 859 . 1 1 71 71 LYS HA H 1 4.379 0.001 . 1 . . . . A 71 LYS HA . 30243 1 860 . 1 1 71 71 LYS HB2 H 1 1.749 0.001 . 2 . . . . A 71 LYS HB2 . 30243 1 861 . 1 1 71 71 LYS HB3 H 1 1.795 0.001 . 2 . . . . A 71 LYS HB3 . 30243 1 862 . 1 1 71 71 LYS HG2 H 1 1.463 0.000 . 2 . . . . A 71 LYS HG2 . 30243 1 863 . 1 1 71 71 LYS HG3 H 1 1.358 0.000 . 2 . . . . A 71 LYS HG3 . 30243 1 864 . 1 1 71 71 LYS HD2 H 1 1.666 0.000 . 1 . . . . A 71 LYS HD2 . 30243 1 865 . 1 1 71 71 LYS HD3 H 1 1.666 0.000 . 1 . . . . A 71 LYS HD3 . 30243 1 866 . 1 1 71 71 LYS HE2 H 1 2.960 0.000 . 1 . . . . A 71 LYS HE2 . 30243 1 867 . 1 1 71 71 LYS HE3 H 1 2.960 0.000 . 1 . . . . A 71 LYS HE3 . 30243 1 868 . 1 1 71 71 LYS C C 13 176.202 0.000 . 1 . . . . A 71 LYS C . 30243 1 869 . 1 1 71 71 LYS CA C 13 56.404 0.002 . 1 . . . . A 71 LYS CA . 30243 1 870 . 1 1 71 71 LYS CB C 13 33.009 0.002 . 1 . . . . A 71 LYS CB . 30243 1 871 . 1 1 71 71 LYS CG C 13 24.577 0.004 . 1 . . . . A 71 LYS CG . 30243 1 872 . 1 1 71 71 LYS CD C 13 28.865 0.000 . 1 . . . . A 71 LYS CD . 30243 1 873 . 1 1 71 71 LYS CE C 13 41.714 0.000 . 1 . . . . A 71 LYS CE . 30243 1 874 . 1 1 71 71 LYS N N 15 121.138 0.009 . 1 . . . . A 71 LYS N . 30243 1 875 . 1 1 72 72 ARG H H 1 8.411 0.003 . 1 . . . . A 72 ARG H . 30243 1 876 . 1 1 72 72 ARG HA H 1 4.551 0.004 . 1 . . . . A 72 ARG HA . 30243 1 877 . 1 1 72 72 ARG HB2 H 1 1.868 0.005 . 2 . . . . A 72 ARG HB2 . 30243 1 878 . 1 1 72 72 ARG HB3 H 1 1.743 0.017 . 2 . . . . A 72 ARG HB3 . 30243 1 879 . 1 1 72 72 ARG HG2 H 1 1.582 0.000 . 2 . . . . A 72 ARG HG2 . 30243 1 880 . 1 1 72 72 ARG HG3 H 1 1.588 0.007 . 2 . . . . A 72 ARG HG3 . 30243 1 881 . 1 1 72 72 ARG HD2 H 1 3.189 0.000 . 1 . . . . A 72 ARG HD2 . 30243 1 882 . 1 1 72 72 ARG HD3 H 1 3.189 0.000 . 1 . . . . A 72 ARG HD3 . 30243 1 883 . 1 1 72 72 ARG C C 13 175.361 0.000 . 1 . . . . A 72 ARG C . 30243 1 884 . 1 1 72 72 ARG CA C 13 54.908 0.000 . 1 . . . . A 72 ARG CA . 30243 1 885 . 1 1 72 72 ARG CB C 13 32.125 0.002 . 1 . . . . A 72 ARG CB . 30243 1 886 . 1 1 72 72 ARG CG C 13 26.803 0.000 . 1 . . . . A 72 ARG CG . 30243 1 887 . 1 1 72 72 ARG CD C 13 43.128 0.000 . 1 . . . . A 72 ARG CD . 30243 1 888 . 1 1 72 72 ARG N N 15 122.170 0.014 . 1 . . . . A 72 ARG N . 30243 1 889 . 1 1 73 73 LYS H H 1 8.403 0.004 . 1 . . . . A 73 LYS H . 30243 1 890 . 1 1 73 73 LYS HA H 1 4.847 0.013 . 1 . . . . A 73 LYS HA . 30243 1 891 . 1 1 73 73 LYS HB2 H 1 1.719 0.002 . 1 . . . . A 73 LYS HB2 . 30243 1 892 . 1 1 73 73 LYS HB3 H 1 1.720 0.007 . 1 . . . . A 73 LYS HB3 . 30243 1 893 . 1 1 73 73 LYS HG2 H 1 1.313 0.007 . 2 . . . . A 73 LYS HG2 . 30243 1 894 . 1 1 73 73 LYS HG3 H 1 1.408 0.000 . 2 . . . . A 73 LYS HG3 . 30243 1 895 . 1 1 73 73 LYS HD2 H 1 1.602 0.000 . 1 . . . . A 73 LYS HD2 . 30243 1 896 . 1 1 73 73 LYS HD3 H 1 1.602 0.000 . 1 . . . . A 73 LYS HD3 . 30243 1 897 . 1 1 73 73 LYS HE2 H 1 2.968 0.000 . 1 . . . . A 73 LYS HE2 . 30243 1 898 . 1 1 73 73 LYS HE3 H 1 2.968 0.000 . 1 . . . . A 73 LYS HE3 . 30243 1 899 . 1 1 73 73 LYS C C 13 176.959 0.000 . 1 . . . . A 73 LYS C . 30243 1 900 . 1 1 73 73 LYS CA C 13 55.213 0.002 . 1 . . . . A 73 LYS CA . 30243 1 901 . 1 1 73 73 LYS CB C 13 34.438 0.001 . 1 . . . . A 73 LYS CB . 30243 1 902 . 1 1 73 73 LYS CG C 13 25.151 0.000 . 1 . . . . A 73 LYS CG . 30243 1 903 . 1 1 73 73 LYS CD C 13 28.977 0.000 . 1 . . . . A 73 LYS CD . 30243 1 904 . 1 1 73 73 LYS CE C 13 41.666 0.000 . 1 . . . . A 73 LYS CE . 30243 1 905 . 1 1 73 73 LYS N N 15 121.412 0.015 . 1 . . . . A 73 LYS N . 30243 1 906 . 1 1 74 74 ASP H H 1 8.566 0.001 . 1 . . . . A 74 ASP H . 30243 1 907 . 1 1 74 74 ASP HA H 1 4.631 0.005 . 1 . . . . A 74 ASP HA . 30243 1 908 . 1 1 74 74 ASP HB2 H 1 3.114 0.008 . 2 . . . . A 74 ASP HB2 . 30243 1 909 . 1 1 74 74 ASP HB3 H 1 2.626 0.002 . 2 . . . . A 74 ASP HB3 . 30243 1 910 . 1 1 74 74 ASP C C 13 177.364 0.000 . 1 . . . . A 74 ASP C . 30243 1 911 . 1 1 74 74 ASP CA C 13 52.915 0.001 . 1 . . . . A 74 ASP CA . 30243 1 912 . 1 1 74 74 ASP CB C 13 40.958 0.006 . 1 . . . . A 74 ASP CB . 30243 1 913 . 1 1 74 74 ASP N N 15 121.975 0.027 . 1 . . . . A 74 ASP N . 30243 1 914 . 1 1 75 75 ASN H H 1 8.413 0.003 . 1 . . . . A 75 ASN H . 30243 1 915 . 1 1 75 75 ASN HA H 1 4.536 0.006 . 1 . . . . A 75 ASN HA . 30243 1 916 . 1 1 75 75 ASN HB2 H 1 2.847 0.003 . 2 . . . . A 75 ASN HB2 . 30243 1 917 . 1 1 75 75 ASN HB3 H 1 2.850 0.000 . 2 . . . . A 75 ASN HB3 . 30243 1 918 . 1 1 75 75 ASN HD21 H 1 7.648 0.000 . 1 . . . . A 75 ASN HD21 . 30243 1 919 . 1 1 75 75 ASN HD22 H 1 6.948 0.003 . 1 . . . . A 75 ASN HD22 . 30243 1 920 . 1 1 75 75 ASN C C 13 175.948 0.000 . 1 . . . . A 75 ASN C . 30243 1 921 . 1 1 75 75 ASN CA C 13 54.666 0.001 . 1 . . . . A 75 ASN CA . 30243 1 922 . 1 1 75 75 ASN CB C 13 38.084 0.000 . 1 . . . . A 75 ASN CB . 30243 1 923 . 1 1 75 75 ASN CG C 13 177.350 0.009 . 1 . . . . A 75 ASN CG . 30243 1 924 . 1 1 75 75 ASN N N 15 116.374 0.035 . 1 . . . . A 75 ASN N . 30243 1 925 . 1 1 75 75 ASN ND2 N 15 113.195 0.000 . 1 . . . . A 75 ASN ND2 . 30243 1 926 . 1 1 76 76 GLU H H 1 8.170 0.010 . 1 . . . . A 76 GLU H . 30243 1 927 . 1 1 76 76 GLU HA H 1 4.360 0.001 . 1 . . . . A 76 GLU HA . 30243 1 928 . 1 1 76 76 GLU HB2 H 1 2.208 0.004 . 2 . . . . A 76 GLU HB2 . 30243 1 929 . 1 1 76 76 GLU HB3 H 1 1.965 0.003 . 2 . . . . A 76 GLU HB3 . 30243 1 930 . 1 1 76 76 GLU HG2 H 1 2.206 0.004 . 2 . . . . A 76 GLU HG2 . 30243 1 931 . 1 1 76 76 GLU HG3 H 1 2.212 0.001 . 2 . . . . A 76 GLU HG3 . 30243 1 932 . 1 1 76 76 GLU C C 13 176.588 0.000 . 1 . . . . A 76 GLU C . 30243 1 933 . 1 1 76 76 GLU CA C 13 56.097 0.000 . 1 . . . . A 76 GLU CA . 30243 1 934 . 1 1 76 76 GLU CB C 13 30.037 0.006 . 1 . . . . A 76 GLU CB . 30243 1 935 . 1 1 76 76 GLU CG C 13 36.556 0.000 . 1 . . . . A 76 GLU CG . 30243 1 936 . 1 1 76 76 GLU N N 15 119.105 0.020 . 1 . . . . A 76 GLU N . 30243 1 937 . 1 1 77 77 GLY H H 1 8.124 0.003 . 1 . . . . A 77 GLY H . 30243 1 938 . 1 1 77 77 GLY HA2 H 1 3.678 0.006 . 2 . . . . A 77 GLY HA2 . 30243 1 939 . 1 1 77 77 GLY HA3 H 1 4.179 0.004 . 2 . . . . A 77 GLY HA3 . 30243 1 940 . 1 1 77 77 GLY C C 13 174.234 0.000 . 1 . . . . A 77 GLY C . 30243 1 941 . 1 1 77 77 GLY CA C 13 45.116 0.004 . 1 . . . . A 77 GLY CA . 30243 1 942 . 1 1 77 77 GLY N N 15 108.193 0.032 . 1 . . . . A 77 GLY N . 30243 1 943 . 1 1 78 78 ASN H H 1 8.542 0.004 . 1 . . . . A 78 ASN H . 30243 1 944 . 1 1 78 78 ASN HA H 1 4.727 0.000 . 1 . . . . A 78 ASN HA . 30243 1 945 . 1 1 78 78 ASN HB2 H 1 2.663 0.004 . 2 . . . . A 78 ASN HB2 . 30243 1 946 . 1 1 78 78 ASN HB3 H 1 2.841 0.003 . 2 . . . . A 78 ASN HB3 . 30243 1 947 . 1 1 78 78 ASN HD21 H 1 7.053 0.002 . 1 . . . . A 78 ASN HD21 . 30243 1 948 . 1 1 78 78 ASN HD22 H 1 8.199 0.004 . 1 . . . . A 78 ASN HD22 . 30243 1 949 . 1 1 78 78 ASN C C 13 175.061 0.000 . 1 . . . . A 78 ASN C . 30243 1 950 . 1 1 78 78 ASN CA C 13 52.613 0.001 . 1 . . . . A 78 ASN CA . 30243 1 951 . 1 1 78 78 ASN CB C 13 38.830 0.001 . 1 . . . . A 78 ASN CB . 30243 1 952 . 1 1 78 78 ASN CG C 13 176.977 0.000 . 1 . . . . A 78 ASN CG . 30243 1 953 . 1 1 78 78 ASN N N 15 119.824 0.005 . 1 . . . . A 78 ASN N . 30243 1 954 . 1 1 78 78 ASN ND2 N 15 116.895 0.029 . 1 . . . . A 78 ASN ND2 . 30243 1 955 . 1 1 79 79 GLU H H 1 8.678 0.006 . 1 . . . . A 79 GLU H . 30243 1 956 . 1 1 79 79 GLU HA H 1 4.436 0.003 . 1 . . . . A 79 GLU HA . 30243 1 957 . 1 1 79 79 GLU HB2 H 1 1.929 0.015 . 2 . . . . A 79 GLU HB2 . 30243 1 958 . 1 1 79 79 GLU HB3 H 1 1.931 0.018 . 2 . . . . A 79 GLU HB3 . 30243 1 959 . 1 1 79 79 GLU HG2 H 1 2.267 0.003 . 2 . . . . A 79 GLU HG2 . 30243 1 960 . 1 1 79 79 GLU HG3 H 1 2.099 0.002 . 2 . . . . A 79 GLU HG3 . 30243 1 961 . 1 1 79 79 GLU C C 13 176.307 0.000 . 1 . . . . A 79 GLU C . 30243 1 962 . 1 1 79 79 GLU CA C 13 56.543 0.000 . 1 . . . . A 79 GLU CA . 30243 1 963 . 1 1 79 79 GLU CB C 13 30.505 0.001 . 1 . . . . A 79 GLU CB . 30243 1 964 . 1 1 79 79 GLU CG C 13 36.711 0.005 . 1 . . . . A 79 GLU CG . 30243 1 965 . 1 1 79 79 GLU N N 15 121.692 0.014 . 1 . . . . A 79 GLU N . 30243 1 966 . 1 1 80 80 VAL H H 1 8.539 0.001 . 1 . . . . A 80 VAL H . 30243 1 967 . 1 1 80 80 VAL HA H 1 4.226 0.002 . 1 . . . . A 80 VAL HA . 30243 1 968 . 1 1 80 80 VAL HB H 1 1.953 0.003 . 1 . . . . A 80 VAL HB . 30243 1 969 . 1 1 80 80 VAL HG11 H 1 0.855 0.000 . 2 . . . . A 80 VAL HG11 . 30243 1 970 . 1 1 80 80 VAL HG12 H 1 0.855 0.000 . 2 . . . . A 80 VAL HG12 . 30243 1 971 . 1 1 80 80 VAL HG13 H 1 0.855 0.000 . 2 . . . . A 80 VAL HG13 . 30243 1 972 . 1 1 80 80 VAL HG21 H 1 0.857 0.006 . 2 . . . . A 80 VAL HG21 . 30243 1 973 . 1 1 80 80 VAL HG22 H 1 0.857 0.006 . 2 . . . . A 80 VAL HG22 . 30243 1 974 . 1 1 80 80 VAL HG23 H 1 0.857 0.006 . 2 . . . . A 80 VAL HG23 . 30243 1 975 . 1 1 80 80 VAL C C 13 175.597 0.000 . 1 . . . . A 80 VAL C . 30243 1 976 . 1 1 80 80 VAL CA C 13 61.450 0.000 . 1 . . . . A 80 VAL CA . 30243 1 977 . 1 1 80 80 VAL CB C 13 33.182 0.000 . 1 . . . . A 80 VAL CB . 30243 1 978 . 1 1 80 80 VAL CG1 C 13 20.502 0.000 . 2 . . . . A 80 VAL CG1 . 30243 1 979 . 1 1 80 80 VAL CG2 C 13 20.313 0.000 . 2 . . . . A 80 VAL CG2 . 30243 1 980 . 1 1 80 80 VAL N N 15 123.842 0.008 . 1 . . . . A 80 VAL N . 30243 1 981 . 1 1 81 81 VAL H H 1 8.380 0.001 . 1 . . . . A 81 VAL H . 30243 1 982 . 1 1 81 81 VAL HA H 1 4.413 0.001 . 1 . . . . A 81 VAL HA . 30243 1 983 . 1 1 81 81 VAL HB H 1 2.032 0.003 . 1 . . . . A 81 VAL HB . 30243 1 984 . 1 1 81 81 VAL HG11 H 1 0.950 0.002 . 2 . . . . A 81 VAL HG11 . 30243 1 985 . 1 1 81 81 VAL HG12 H 1 0.950 0.002 . 2 . . . . A 81 VAL HG12 . 30243 1 986 . 1 1 81 81 VAL HG13 H 1 0.950 0.002 . 2 . . . . A 81 VAL HG13 . 30243 1 987 . 1 1 81 81 VAL HG21 H 1 0.977 0.001 . 2 . . . . A 81 VAL HG21 . 30243 1 988 . 1 1 81 81 VAL HG22 H 1 0.977 0.001 . 2 . . . . A 81 VAL HG22 . 30243 1 989 . 1 1 81 81 VAL HG23 H 1 0.977 0.001 . 2 . . . . A 81 VAL HG23 . 30243 1 990 . 1 1 81 81 VAL CA C 13 59.416 0.001 . 1 . . . . A 81 VAL CA . 30243 1 991 . 1 1 81 81 VAL CB C 13 32.811 0.003 . 1 . . . . A 81 VAL CB . 30243 1 992 . 1 1 81 81 VAL CG1 C 13 20.766 0.000 . 2 . . . . A 81 VAL CG1 . 30243 1 993 . 1 1 81 81 VAL CG2 C 13 21.059 0.000 . 2 . . . . A 81 VAL CG2 . 30243 1 994 . 1 1 81 81 VAL N N 15 126.470 0.008 . 1 . . . . A 81 VAL N . 30243 1 995 . 1 1 82 82 PRO HA H 1 4.407 0.003 . 1 . . . . A 82 PRO HA . 30243 1 996 . 1 1 82 82 PRO HB2 H 1 1.859 0.003 . 2 . . . . A 82 PRO HB2 . 30243 1 997 . 1 1 82 82 PRO HB3 H 1 2.261 0.004 . 2 . . . . A 82 PRO HB3 . 30243 1 998 . 1 1 82 82 PRO HG2 H 1 2.031 0.001 . 2 . . . . A 82 PRO HG2 . 30243 1 999 . 1 1 82 82 PRO HG3 H 1 1.945 0.001 . 2 . . . . A 82 PRO HG3 . 30243 1 1000 . 1 1 82 82 PRO HD2 H 1 3.848 0.000 . 2 . . . . A 82 PRO HD2 . 30243 1 1001 . 1 1 82 82 PRO HD3 H 1 3.625 0.009 . 2 . . . . A 82 PRO HD3 . 30243 1 1002 . 1 1 82 82 PRO C C 13 176.082 0.000 . 1 . . . . A 82 PRO C . 30243 1 1003 . 1 1 82 82 PRO CA C 13 62.676 0.000 . 1 . . . . A 82 PRO CA . 30243 1 1004 . 1 1 82 82 PRO CB C 13 32.119 0.005 . 1 . . . . A 82 PRO CB . 30243 1 1005 . 1 1 82 82 PRO CG C 13 27.450 0.030 . 1 . . . . A 82 PRO CG . 30243 1 1006 . 1 1 82 82 PRO CD C 13 50.964 0.000 . 1 . . . . A 82 PRO CD . 30243 1 1007 . 1 1 83 83 LYS H H 1 8.319 0.003 . 1 . . . . A 83 LYS H . 30243 1 1008 . 1 1 83 83 LYS HA H 1 4.554 0.006 . 1 . . . . A 83 LYS HA . 30243 1 1009 . 1 1 83 83 LYS HB2 H 1 1.779 0.006 . 2 . . . . A 83 LYS HB2 . 30243 1 1010 . 1 1 83 83 LYS HB3 H 1 1.669 0.003 . 2 . . . . A 83 LYS HB3 . 30243 1 1011 . 1 1 83 83 LYS HG2 H 1 1.530 0.000 . 2 . . . . A 83 LYS HG2 . 30243 1 1012 . 1 1 83 83 LYS HG3 H 1 1.459 0.002 . 2 . . . . A 83 LYS HG3 . 30243 1 1013 . 1 1 83 83 LYS HD2 H 1 1.686 0.000 . 1 . . . . A 83 LYS HD2 . 30243 1 1014 . 1 1 83 83 LYS HD3 H 1 1.686 0.000 . 1 . . . . A 83 LYS HD3 . 30243 1 1015 . 1 1 83 83 LYS HE2 H 1 2.971 0.000 . 1 . . . . A 83 LYS HE2 . 30243 1 1016 . 1 1 83 83 LYS HE3 H 1 2.971 0.000 . 1 . . . . A 83 LYS HE3 . 30243 1 1017 . 1 1 83 83 LYS CA C 13 53.743 0.001 . 1 . . . . A 83 LYS CA . 30243 1 1018 . 1 1 83 83 LYS CB C 13 32.234 0.009 . 1 . . . . A 83 LYS CB . 30243 1 1019 . 1 1 83 83 LYS CG C 13 24.704 0.000 . 1 . . . . A 83 LYS CG . 30243 1 1020 . 1 1 83 83 LYS CD C 13 28.843 0.000 . 1 . . . . A 83 LYS CD . 30243 1 1021 . 1 1 83 83 LYS CE C 13 41.706 0.000 . 1 . . . . A 83 LYS CE . 30243 1 1022 . 1 1 83 83 LYS N N 15 121.862 0.036 . 1 . . . . A 83 LYS N . 30243 1 1023 . 1 1 84 84 PRO HA H 1 4.305 0.006 . 1 . . . . A 84 PRO HA . 30243 1 1024 . 1 1 84 84 PRO HB2 H 1 2.242 0.002 . 2 . . . . A 84 PRO HB2 . 30243 1 1025 . 1 1 84 84 PRO HB3 H 1 1.805 0.015 . 2 . . . . A 84 PRO HB3 . 30243 1 1026 . 1 1 84 84 PRO HG2 H 1 1.912 0.003 . 2 . . . . A 84 PRO HG2 . 30243 1 1027 . 1 1 84 84 PRO HG3 H 1 1.909 0.000 . 2 . . . . A 84 PRO HG3 . 30243 1 1028 . 1 1 84 84 PRO HD2 H 1 3.600 0.000 . 2 . . . . A 84 PRO HD2 . 30243 1 1029 . 1 1 84 84 PRO HD3 H 1 3.753 0.000 . 2 . . . . A 84 PRO HD3 . 30243 1 1030 . 1 1 84 84 PRO C C 13 176.935 0.000 . 1 . . . . A 84 PRO C . 30243 1 1031 . 1 1 84 84 PRO CA C 13 62.358 0.000 . 1 . . . . A 84 PRO CA . 30243 1 1032 . 1 1 84 84 PRO CB C 13 32.503 0.000 . 1 . . . . A 84 PRO CB . 30243 1 1033 . 1 1 84 84 PRO CG C 13 26.953 0.000 . 1 . . . . A 84 PRO CG . 30243 1 1034 . 1 1 84 84 PRO CD C 13 50.292 0.000 . 1 . . . . A 84 PRO CD . 30243 1 1035 . 1 1 85 85 GLN H H 1 8.487 0.003 . 1 . . . . A 85 GLN H . 30243 1 1036 . 1 1 85 85 GLN HA H 1 4.158 0.004 . 1 . . . . A 85 GLN HA . 30243 1 1037 . 1 1 85 85 GLN HB2 H 1 1.850 0.004 . 2 . . . . A 85 GLN HB2 . 30243 1 1038 . 1 1 85 85 GLN HB3 H 1 1.907 0.006 . 2 . . . . A 85 GLN HB3 . 30243 1 1039 . 1 1 85 85 GLN HG2 H 1 2.266 0.003 . 2 . . . . A 85 GLN HG2 . 30243 1 1040 . 1 1 85 85 GLN HG3 H 1 2.360 0.004 . 2 . . . . A 85 GLN HG3 . 30243 1 1041 . 1 1 85 85 GLN HE21 H 1 7.035 0.003 . 1 . . . . A 85 GLN HE21 . 30243 1 1042 . 1 1 85 85 GLN HE22 H 1 7.619 0.003 . 1 . . . . A 85 GLN HE22 . 30243 1 1043 . 1 1 85 85 GLN C C 13 175.077 0.000 . 1 . . . . A 85 GLN C . 30243 1 1044 . 1 1 85 85 GLN CA C 13 55.927 0.000 . 1 . . . . A 85 GLN CA . 30243 1 1045 . 1 1 85 85 GLN CB C 13 29.865 0.005 . 1 . . . . A 85 GLN CB . 30243 1 1046 . 1 1 85 85 GLN CG C 13 33.934 0.008 . 1 . . . . A 85 GLN CG . 30243 1 1047 . 1 1 85 85 GLN CD C 13 180.269 0.004 . 1 . . . . A 85 GLN CD . 30243 1 1048 . 1 1 85 85 GLN N N 15 121.258 0.005 . 1 . . . . A 85 GLN N . 30243 1 1049 . 1 1 85 85 GLN NE2 N 15 112.746 0.011 . 1 . . . . A 85 GLN NE2 . 30243 1 1050 . 1 1 86 86 ARG H H 1 8.229 0.004 . 1 . . . . A 86 ARG H . 30243 1 1051 . 1 1 86 86 ARG HA H 1 5.137 0.007 . 1 . . . . A 86 ARG HA . 30243 1 1052 . 1 1 86 86 ARG HB2 H 1 1.640 0.014 . 2 . . . . A 86 ARG HB2 . 30243 1 1053 . 1 1 86 86 ARG HB3 H 1 1.444 0.005 . 2 . . . . A 86 ARG HB3 . 30243 1 1054 . 1 1 86 86 ARG HG2 H 1 1.584 0.000 . 1 . . . . A 86 ARG HG2 . 30243 1 1055 . 1 1 86 86 ARG HG3 H 1 1.584 0.000 . 1 . . . . A 86 ARG HG3 . 30243 1 1056 . 1 1 86 86 ARG HD2 H 1 3.036 0.000 . 1 . . . . A 86 ARG HD2 . 30243 1 1057 . 1 1 86 86 ARG HD3 H 1 3.036 0.000 . 1 . . . . A 86 ARG HD3 . 30243 1 1058 . 1 1 86 86 ARG C C 13 174.913 0.000 . 1 . . . . A 86 ARG C . 30243 1 1059 . 1 1 86 86 ARG CA C 13 54.498 0.000 . 1 . . . . A 86 ARG CA . 30243 1 1060 . 1 1 86 86 ARG CB C 13 33.214 0.000 . 1 . . . . A 86 ARG CB . 30243 1 1061 . 1 1 86 86 ARG CG C 13 27.177 0.000 . 1 . . . . A 86 ARG CG . 30243 1 1062 . 1 1 86 86 ARG CD C 13 43.533 0.000 . 1 . . . . A 86 ARG CD . 30243 1 1063 . 1 1 86 86 ARG N N 15 121.011 0.025 . 1 . . . . A 86 ARG N . 30243 1 1064 . 1 1 87 87 HIS H H 1 8.663 0.005 . 1 . . . . A 87 HIS H . 30243 1 1065 . 1 1 87 87 HIS HA H 1 4.742 0.000 . 1 . . . . A 87 HIS HA . 30243 1 1066 . 1 1 87 87 HIS HB2 H 1 3.193 0.004 . 2 . . . . A 87 HIS HB2 . 30243 1 1067 . 1 1 87 87 HIS HB3 H 1 2.745 0.002 . 2 . . . . A 87 HIS HB3 . 30243 1 1068 . 1 1 87 87 HIS HD2 H 1 6.669 0.004 . 1 . . . . A 87 HIS HD2 . 30243 1 1069 . 1 1 87 87 HIS HE1 H 1 7.986 0.000 . 1 . . . . A 87 HIS HE1 . 30243 1 1070 . 1 1 87 87 HIS C C 13 173.930 0.000 . 1 . . . . A 87 HIS C . 30243 1 1071 . 1 1 87 87 HIS CA C 13 54.099 0.000 . 1 . . . . A 87 HIS CA . 30243 1 1072 . 1 1 87 87 HIS CB C 13 33.458 0.000 . 1 . . . . A 87 HIS CB . 30243 1 1073 . 1 1 87 87 HIS CD2 C 13 118.328 0.000 . 1 . . . . A 87 HIS CD2 . 30243 1 1074 . 1 1 87 87 HIS CE1 C 13 139.416 0.000 . 1 . . . . A 87 HIS CE1 . 30243 1 1075 . 1 1 87 87 HIS N N 15 120.941 0.046 . 1 . . . . A 87 HIS N . 30243 1 1076 . 1 1 88 88 MET H H 1 8.633 0.002 . 1 . . . . A 88 MET H . 30243 1 1077 . 1 1 88 88 MET HA H 1 5.334 0.006 . 1 . . . . A 88 MET HA . 30243 1 1078 . 1 1 88 88 MET HB2 H 1 1.684 0.005 . 2 . . . . A 88 MET HB2 . 30243 1 1079 . 1 1 88 88 MET HB3 H 1 1.942 0.001 . 2 . . . . A 88 MET HB3 . 30243 1 1080 . 1 1 88 88 MET HG2 H 1 2.306 0.004 . 2 . . . . A 88 MET HG2 . 30243 1 1081 . 1 1 88 88 MET HG3 H 1 2.372 0.006 . 2 . . . . A 88 MET HG3 . 30243 1 1082 . 1 1 88 88 MET HE1 H 1 1.939 0.001 . 1 . . . . A 88 MET HE1 . 30243 1 1083 . 1 1 88 88 MET HE2 H 1 1.939 0.001 . 1 . . . . A 88 MET HE2 . 30243 1 1084 . 1 1 88 88 MET HE3 H 1 1.939 0.001 . 1 . . . . A 88 MET HE3 . 30243 1 1085 . 1 1 88 88 MET C C 13 173.571 0.000 . 1 . . . . A 88 MET C . 30243 1 1086 . 1 1 88 88 MET CA C 13 54.626 0.003 . 1 . . . . A 88 MET CA . 30243 1 1087 . 1 1 88 88 MET CB C 13 35.169 0.005 . 1 . . . . A 88 MET CB . 30243 1 1088 . 1 1 88 88 MET CG C 13 32.280 0.003 . 1 . . . . A 88 MET CG . 30243 1 1089 . 1 1 88 88 MET CE C 13 17.485 0.017 . 1 . . . . A 88 MET CE . 30243 1 1090 . 1 1 88 88 MET N N 15 125.858 0.039 . 1 . . . . A 88 MET N . 30243 1 1091 . 1 1 89 89 PHE H H 1 9.002 0.005 . 1 . . . . A 89 PHE H . 30243 1 1092 . 1 1 89 89 PHE HA H 1 5.184 0.001 . 1 . . . . A 89 PHE HA . 30243 1 1093 . 1 1 89 89 PHE HB2 H 1 2.594 0.002 . 2 . . . . A 89 PHE HB2 . 30243 1 1094 . 1 1 89 89 PHE HB3 H 1 2.596 0.001 . 2 . . . . A 89 PHE HB3 . 30243 1 1095 . 1 1 89 89 PHE HD1 H 1 6.828 0.001 . 3 . . . . A 89 PHE HD1 . 30243 1 1096 . 1 1 89 89 PHE HD2 H 1 6.828 0.001 . 3 . . . . A 89 PHE HD2 . 30243 1 1097 . 1 1 89 89 PHE HE1 H 1 6.633 0.000 . 3 . . . . A 89 PHE HE1 . 30243 1 1098 . 1 1 89 89 PHE HE2 H 1 6.633 0.000 . 3 . . . . A 89 PHE HE2 . 30243 1 1099 . 1 1 89 89 PHE HZ H 1 6.576 0.000 . 1 . . . . A 89 PHE HZ . 30243 1 1100 . 1 1 89 89 PHE C C 13 174.473 0.000 . 1 . . . . A 89 PHE C . 30243 1 1101 . 1 1 89 89 PHE CA C 13 56.153 0.000 . 1 . . . . A 89 PHE CA . 30243 1 1102 . 1 1 89 89 PHE CB C 13 43.978 0.002 . 1 . . . . A 89 PHE CB . 30243 1 1103 . 1 1 89 89 PHE CD1 C 13 131.452 0.000 . 3 . . . . A 89 PHE CD1 . 30243 1 1104 . 1 1 89 89 PHE CD2 C 13 131.452 0.000 . 3 . . . . A 89 PHE CD2 . 30243 1 1105 . 1 1 89 89 PHE CE1 C 13 130.646 0.000 . 3 . . . . A 89 PHE CE1 . 30243 1 1106 . 1 1 89 89 PHE CE2 C 13 130.646 0.000 . 3 . . . . A 89 PHE CE2 . 30243 1 1107 . 1 1 89 89 PHE CZ C 13 127.913 0.000 . 1 . . . . A 89 PHE CZ . 30243 1 1108 . 1 1 89 89 PHE N N 15 122.319 0.011 . 1 . . . . A 89 PHE N . 30243 1 1109 . 1 1 90 90 SER H H 1 8.686 0.008 . 1 . . . . A 90 SER H . 30243 1 1110 . 1 1 90 90 SER HA H 1 5.672 0.001 . 1 . . . . A 90 SER HA . 30243 1 1111 . 1 1 90 90 SER HB2 H 1 3.715 0.005 . 2 . . . . A 90 SER HB2 . 30243 1 1112 . 1 1 90 90 SER HB3 H 1 3.834 0.004 . 2 . . . . A 90 SER HB3 . 30243 1 1113 . 1 1 90 90 SER C C 13 173.032 0.000 . 1 . . . . A 90 SER C . 30243 1 1114 . 1 1 90 90 SER CA C 13 56.641 0.001 . 1 . . . . A 90 SER CA . 30243 1 1115 . 1 1 90 90 SER CB C 13 64.635 0.040 . 1 . . . . A 90 SER CB . 30243 1 1116 . 1 1 90 90 SER N N 15 116.248 0.025 . 1 . . . . A 90 SER N . 30243 1 1117 . 1 1 91 91 PHE H H 1 8.861 0.003 . 1 . . . . A 91 PHE H . 30243 1 1118 . 1 1 91 91 PHE HA H 1 4.894 0.003 . 1 . . . . A 91 PHE HA . 30243 1 1119 . 1 1 91 91 PHE HB2 H 1 2.784 0.003 . 2 . . . . A 91 PHE HB2 . 30243 1 1120 . 1 1 91 91 PHE HB3 H 1 3.305 0.010 . 2 . . . . A 91 PHE HB3 . 30243 1 1121 . 1 1 91 91 PHE HD1 H 1 7.436 0.008 . 3 . . . . A 91 PHE HD1 . 30243 1 1122 . 1 1 91 91 PHE HD2 H 1 7.436 0.008 . 3 . . . . A 91 PHE HD2 . 30243 1 1123 . 1 1 91 91 PHE HE1 H 1 7.078 0.004 . 3 . . . . A 91 PHE HE1 . 30243 1 1124 . 1 1 91 91 PHE HE2 H 1 7.078 0.004 . 3 . . . . A 91 PHE HE2 . 30243 1 1125 . 1 1 91 91 PHE HZ H 1 6.776 0.000 . 1 . . . . A 91 PHE HZ . 30243 1 1126 . 1 1 91 91 PHE C C 13 174.436 0.000 . 1 . . . . A 91 PHE C . 30243 1 1127 . 1 1 91 91 PHE CA C 13 57.217 0.001 . 1 . . . . A 91 PHE CA . 30243 1 1128 . 1 1 91 91 PHE CB C 13 43.484 0.021 . 1 . . . . A 91 PHE CB . 30243 1 1129 . 1 1 91 91 PHE CD1 C 13 132.678 0.000 . 3 . . . . A 91 PHE CD1 . 30243 1 1130 . 1 1 91 91 PHE CD2 C 13 132.678 0.000 . 3 . . . . A 91 PHE CD2 . 30243 1 1131 . 1 1 91 91 PHE CE1 C 13 130.690 0.000 . 3 . . . . A 91 PHE CE1 . 30243 1 1132 . 1 1 91 91 PHE CE2 C 13 130.690 0.000 . 3 . . . . A 91 PHE CE2 . 30243 1 1133 . 1 1 91 91 PHE CZ C 13 127.345 0.000 . 1 . . . . A 91 PHE CZ . 30243 1 1134 . 1 1 91 91 PHE N N 15 120.208 0.014 . 1 . . . . A 91 PHE N . 30243 1 1135 . 1 1 92 92 ASN H H 1 9.112 0.005 . 1 . . . . A 92 ASN H . 30243 1 1136 . 1 1 92 92 ASN HA H 1 5.085 0.002 . 1 . . . . A 92 ASN HA . 30243 1 1137 . 1 1 92 92 ASN HB2 H 1 2.889 0.004 . 2 . . . . A 92 ASN HB2 . 30243 1 1138 . 1 1 92 92 ASN HB3 H 1 2.887 0.001 . 2 . . . . A 92 ASN HB3 . 30243 1 1139 . 1 1 92 92 ASN HD21 H 1 6.805 0.003 . 1 . . . . A 92 ASN HD21 . 30243 1 1140 . 1 1 92 92 ASN HD22 H 1 7.596 0.002 . 1 . . . . A 92 ASN HD22 . 30243 1 1141 . 1 1 92 92 ASN C C 13 174.816 0.000 . 1 . . . . A 92 ASN C . 30243 1 1142 . 1 1 92 92 ASN CA C 13 52.136 0.000 . 1 . . . . A 92 ASN CA . 30243 1 1143 . 1 1 92 92 ASN CB C 13 39.954 0.000 . 1 . . . . A 92 ASN CB . 30243 1 1144 . 1 1 92 92 ASN CG C 13 177.042 0.000 . 1 . . . . A 92 ASN CG . 30243 1 1145 . 1 1 92 92 ASN N N 15 115.969 0.052 . 1 . . . . A 92 ASN N . 30243 1 1146 . 1 1 92 92 ASN ND2 N 15 111.291 0.006 . 1 . . . . A 92 ASN ND2 . 30243 1 1147 . 1 1 93 93 ASN H H 1 7.270 0.002 . 1 . . . . A 93 ASN H . 30243 1 1148 . 1 1 93 93 ASN HA H 1 4.900 0.006 . 1 . . . . A 93 ASN HA . 30243 1 1149 . 1 1 93 93 ASN HB2 H 1 2.875 0.009 . 2 . . . . A 93 ASN HB2 . 30243 1 1150 . 1 1 93 93 ASN HB3 H 1 2.816 0.005 . 2 . . . . A 93 ASN HB3 . 30243 1 1151 . 1 1 93 93 ASN HD21 H 1 7.903 0.003 . 1 . . . . A 93 ASN HD21 . 30243 1 1152 . 1 1 93 93 ASN HD22 H 1 7.206 0.002 . 1 . . . . A 93 ASN HD22 . 30243 1 1153 . 1 1 93 93 ASN C C 13 174.560 0.000 . 1 . . . . A 93 ASN C . 30243 1 1154 . 1 1 93 93 ASN CA C 13 52.983 0.002 . 1 . . . . A 93 ASN CA . 30243 1 1155 . 1 1 93 93 ASN CB C 13 41.658 0.003 . 1 . . . . A 93 ASN CB . 30243 1 1156 . 1 1 93 93 ASN CG C 13 176.447 0.028 . 1 . . . . A 93 ASN CG . 30243 1 1157 . 1 1 93 93 ASN N N 15 118.540 0.022 . 1 . . . . A 93 ASN N . 30243 1 1158 . 1 1 93 93 ASN ND2 N 15 113.946 0.060 . 1 . . . . A 93 ASN ND2 . 30243 1 1159 . 1 1 94 94 ARG H H 1 9.316 0.002 . 1 . . . . A 94 ARG H . 30243 1 1160 . 1 1 94 94 ARG HA H 1 3.857 0.004 . 1 . . . . A 94 ARG HA . 30243 1 1161 . 1 1 94 94 ARG HB2 H 1 1.988 0.007 . 2 . . . . A 94 ARG HB2 . 30243 1 1162 . 1 1 94 94 ARG HB3 H 1 1.800 0.002 . 2 . . . . A 94 ARG HB3 . 30243 1 1163 . 1 1 94 94 ARG HG2 H 1 1.783 0.000 . 2 . . . . A 94 ARG HG2 . 30243 1 1164 . 1 1 94 94 ARG HG3 H 1 1.639 0.000 . 2 . . . . A 94 ARG HG3 . 30243 1 1165 . 1 1 94 94 ARG HD2 H 1 3.114 0.000 . 2 . . . . A 94 ARG HD2 . 30243 1 1166 . 1 1 94 94 ARG HD3 H 1 3.367 0.000 . 2 . . . . A 94 ARG HD3 . 30243 1 1167 . 1 1 94 94 ARG C C 13 176.816 0.000 . 1 . . . . A 94 ARG C . 30243 1 1168 . 1 1 94 94 ARG CA C 13 59.351 0.001 . 1 . . . . A 94 ARG CA . 30243 1 1169 . 1 1 94 94 ARG CB C 13 30.000 0.005 . 1 . . . . A 94 ARG CB . 30243 1 1170 . 1 1 94 94 ARG CG C 13 26.554 0.013 . 1 . . . . A 94 ARG CG . 30243 1 1171 . 1 1 94 94 ARG CD C 13 42.489 0.012 . 1 . . . . A 94 ARG CD . 30243 1 1172 . 1 1 94 94 ARG N N 15 129.173 0.018 . 1 . . . . A 94 ARG N . 30243 1 1173 . 1 1 95 95 THR H H 1 7.982 0.002 . 1 . . . . A 95 THR H . 30243 1 1174 . 1 1 95 95 THR HA H 1 3.995 0.002 . 1 . . . . A 95 THR HA . 30243 1 1175 . 1 1 95 95 THR HB H 1 4.316 0.002 . 1 . . . . A 95 THR HB . 30243 1 1176 . 1 1 95 95 THR HG21 H 1 1.270 0.002 . 1 . . . . A 95 THR HG21 . 30243 1 1177 . 1 1 95 95 THR HG22 H 1 1.270 0.002 . 1 . . . . A 95 THR HG22 . 30243 1 1178 . 1 1 95 95 THR HG23 H 1 1.270 0.002 . 1 . . . . A 95 THR HG23 . 30243 1 1179 . 1 1 95 95 THR C C 13 176.659 0.000 . 1 . . . . A 95 THR C . 30243 1 1180 . 1 1 95 95 THR CA C 13 66.204 0.000 . 1 . . . . A 95 THR CA . 30243 1 1181 . 1 1 95 95 THR CB C 13 68.348 0.000 . 1 . . . . A 95 THR CB . 30243 1 1182 . 1 1 95 95 THR CG2 C 13 21.751 0.000 . 1 . . . . A 95 THR CG2 . 30243 1 1183 . 1 1 95 95 THR N N 15 115.657 0.017 . 1 . . . . A 95 THR N . 30243 1 1184 . 1 1 96 96 VAL H H 1 7.574 0.004 . 1 . . . . A 96 VAL H . 30243 1 1185 . 1 1 96 96 VAL HA H 1 3.784 0.003 . 1 . . . . A 96 VAL HA . 30243 1 1186 . 1 1 96 96 VAL HB H 1 2.364 0.011 . 1 . . . . A 96 VAL HB . 30243 1 1187 . 1 1 96 96 VAL HG11 H 1 1.260 0.004 . 2 . . . . A 96 VAL HG11 . 30243 1 1188 . 1 1 96 96 VAL HG12 H 1 1.260 0.004 . 2 . . . . A 96 VAL HG12 . 30243 1 1189 . 1 1 96 96 VAL HG13 H 1 1.260 0.004 . 2 . . . . A 96 VAL HG13 . 30243 1 1190 . 1 1 96 96 VAL HG21 H 1 1.213 0.011 . 2 . . . . A 96 VAL HG21 . 30243 1 1191 . 1 1 96 96 VAL HG22 H 1 1.213 0.011 . 2 . . . . A 96 VAL HG22 . 30243 1 1192 . 1 1 96 96 VAL HG23 H 1 1.213 0.011 . 2 . . . . A 96 VAL HG23 . 30243 1 1193 . 1 1 96 96 VAL C C 13 177.516 0.000 . 1 . . . . A 96 VAL C . 30243 1 1194 . 1 1 96 96 VAL CA C 13 65.798 0.002 . 1 . . . . A 96 VAL CA . 30243 1 1195 . 1 1 96 96 VAL CB C 13 32.414 0.001 . 1 . . . . A 96 VAL CB . 30243 1 1196 . 1 1 96 96 VAL CG1 C 13 21.181 0.000 . 2 . . . . A 96 VAL CG1 . 30243 1 1197 . 1 1 96 96 VAL CG2 C 13 22.082 0.000 . 2 . . . . A 96 VAL CG2 . 30243 1 1198 . 1 1 96 96 VAL N N 15 121.812 0.026 . 1 . . . . A 96 VAL N . 30243 1 1199 . 1 1 97 97 MET H H 1 7.332 0.003 . 1 . . . . A 97 MET H . 30243 1 1200 . 1 1 97 97 MET HA H 1 2.339 0.007 . 1 . . . . A 97 MET HA . 30243 1 1201 . 1 1 97 97 MET HB2 H 1 1.923 0.002 . 2 . . . . A 97 MET HB2 . 30243 1 1202 . 1 1 97 97 MET HB3 H 1 2.034 0.000 . 2 . . . . A 97 MET HB3 . 30243 1 1203 . 1 1 97 97 MET HG2 H 1 2.351 0.000 . 2 . . . . A 97 MET HG2 . 30243 1 1204 . 1 1 97 97 MET HG3 H 1 2.348 0.004 . 2 . . . . A 97 MET HG3 . 30243 1 1205 . 1 1 97 97 MET HE1 H 1 2.064 0.011 . 1 . . . . A 97 MET HE1 . 30243 1 1206 . 1 1 97 97 MET HE2 H 1 2.064 0.011 . 1 . . . . A 97 MET HE2 . 30243 1 1207 . 1 1 97 97 MET HE3 H 1 2.064 0.011 . 1 . . . . A 97 MET HE3 . 30243 1 1208 . 1 1 97 97 MET C C 13 177.153 0.000 . 1 . . . . A 97 MET C . 30243 1 1209 . 1 1 97 97 MET CA C 13 59.527 0.000 . 1 . . . . A 97 MET CA . 30243 1 1210 . 1 1 97 97 MET CB C 13 32.544 0.004 . 1 . . . . A 97 MET CB . 30243 1 1211 . 1 1 97 97 MET CG C 13 31.701 0.000 . 1 . . . . A 97 MET CG . 30243 1 1212 . 1 1 97 97 MET CE C 13 17.686 0.000 . 1 . . . . A 97 MET CE . 30243 1 1213 . 1 1 97 97 MET N N 15 117.484 0.007 . 1 . . . . A 97 MET N . 30243 1 1214 . 1 1 98 98 ASP H H 1 8.687 0.002 . 1 . . . . A 98 ASP H . 30243 1 1215 . 1 1 98 98 ASP HA H 1 4.267 0.004 . 1 . . . . A 98 ASP HA . 30243 1 1216 . 1 1 98 98 ASP HB2 H 1 2.538 0.002 . 2 . . . . A 98 ASP HB2 . 30243 1 1217 . 1 1 98 98 ASP HB3 H 1 2.710 0.013 . 2 . . . . A 98 ASP HB3 . 30243 1 1218 . 1 1 98 98 ASP C C 13 178.979 0.000 . 1 . . . . A 98 ASP C . 30243 1 1219 . 1 1 98 98 ASP CA C 13 57.364 0.001 . 1 . . . . A 98 ASP CA . 30243 1 1220 . 1 1 98 98 ASP CB C 13 39.751 0.004 . 1 . . . . A 98 ASP CB . 30243 1 1221 . 1 1 98 98 ASP N N 15 118.072 0.014 . 1 . . . . A 98 ASP N . 30243 1 1222 . 1 1 99 99 ASN H H 1 8.102 0.003 . 1 . . . . A 99 ASN H . 30243 1 1223 . 1 1 99 99 ASN HA H 1 4.435 0.004 . 1 . . . . A 99 ASN HA . 30243 1 1224 . 1 1 99 99 ASN HB2 H 1 2.743 0.004 . 2 . . . . A 99 ASN HB2 . 30243 1 1225 . 1 1 99 99 ASN HB3 H 1 3.015 0.006 . 2 . . . . A 99 ASN HB3 . 30243 1 1226 . 1 1 99 99 ASN HD21 H 1 6.954 0.003 . 1 . . . . A 99 ASN HD21 . 30243 1 1227 . 1 1 99 99 ASN HD22 H 1 7.436 0.006 . 1 . . . . A 99 ASN HD22 . 30243 1 1228 . 1 1 99 99 ASN C C 13 178.100 0.000 . 1 . . . . A 99 ASN C . 30243 1 1229 . 1 1 99 99 ASN CA C 13 56.104 0.000 . 1 . . . . A 99 ASN CA . 30243 1 1230 . 1 1 99 99 ASN CB C 13 38.276 0.006 . 1 . . . . A 99 ASN CB . 30243 1 1231 . 1 1 99 99 ASN CG C 13 176.334 0.018 . 1 . . . . A 99 ASN CG . 30243 1 1232 . 1 1 99 99 ASN N N 15 120.254 0.010 . 1 . . . . A 99 ASN N . 30243 1 1233 . 1 1 99 99 ASN ND2 N 15 111.583 0.022 . 1 . . . . A 99 ASN ND2 . 30243 1 1234 . 1 1 100 100 ILE H H 1 8.060 0.003 . 1 . . . . A 100 ILE H . 30243 1 1235 . 1 1 100 100 ILE HA H 1 3.624 0.001 . 1 . . . . A 100 ILE HA . 30243 1 1236 . 1 1 100 100 ILE HB H 1 1.897 0.009 . 1 . . . . A 100 ILE HB . 30243 1 1237 . 1 1 100 100 ILE HG12 H 1 1.280 0.008 . 2 . . . . A 100 ILE HG12 . 30243 1 1238 . 1 1 100 100 ILE HG13 H 1 1.561 0.006 . 2 . . . . A 100 ILE HG13 . 30243 1 1239 . 1 1 100 100 ILE HG21 H 1 0.696 0.004 . 1 . . . . A 100 ILE HG21 . 30243 1 1240 . 1 1 100 100 ILE HG22 H 1 0.696 0.004 . 1 . . . . A 100 ILE HG22 . 30243 1 1241 . 1 1 100 100 ILE HG23 H 1 0.696 0.004 . 1 . . . . A 100 ILE HG23 . 30243 1 1242 . 1 1 100 100 ILE HD11 H 1 0.519 0.005 . 1 . . . . A 100 ILE HD11 . 30243 1 1243 . 1 1 100 100 ILE HD12 H 1 0.519 0.005 . 1 . . . . A 100 ILE HD12 . 30243 1 1244 . 1 1 100 100 ILE HD13 H 1 0.519 0.005 . 1 . . . . A 100 ILE HD13 . 30243 1 1245 . 1 1 100 100 ILE C C 13 177.524 0.000 . 1 . . . . A 100 ILE C . 30243 1 1246 . 1 1 100 100 ILE CA C 13 62.571 0.004 . 1 . . . . A 100 ILE CA . 30243 1 1247 . 1 1 100 100 ILE CB C 13 35.740 0.001 . 1 . . . . A 100 ILE CB . 30243 1 1248 . 1 1 100 100 ILE CG1 C 13 28.179 0.000 . 1 . . . . A 100 ILE CG1 . 30243 1 1249 . 1 1 100 100 ILE CG2 C 13 17.167 0.000 . 1 . . . . A 100 ILE CG2 . 30243 1 1250 . 1 1 100 100 ILE CD1 C 13 9.565 0.000 . 1 . . . . A 100 ILE CD1 . 30243 1 1251 . 1 1 100 100 ILE N N 15 121.003 0.019 . 1 . . . . A 100 ILE N . 30243 1 1252 . 1 1 101 101 LYS H H 1 8.904 0.002 . 1 . . . . A 101 LYS H . 30243 1 1253 . 1 1 101 101 LYS HA H 1 3.629 0.006 . 1 . . . . A 101 LYS HA . 30243 1 1254 . 1 1 101 101 LYS HB2 H 1 2.016 0.002 . 2 . . . . A 101 LYS HB2 . 30243 1 1255 . 1 1 101 101 LYS HB3 H 1 1.815 0.003 . 2 . . . . A 101 LYS HB3 . 30243 1 1256 . 1 1 101 101 LYS HG2 H 1 1.316 0.001 . 2 . . . . A 101 LYS HG2 . 30243 1 1257 . 1 1 101 101 LYS HG3 H 1 1.326 0.010 . 2 . . . . A 101 LYS HG3 . 30243 1 1258 . 1 1 101 101 LYS HD2 H 1 1.639 0.000 . 2 . . . . A 101 LYS HD2 . 30243 1 1259 . 1 1 101 101 LYS HD3 H 1 1.507 0.011 . 2 . . . . A 101 LYS HD3 . 30243 1 1260 . 1 1 101 101 LYS HE2 H 1 2.862 0.004 . 1 . . . . A 101 LYS HE2 . 30243 1 1261 . 1 1 101 101 LYS HE3 H 1 2.862 0.004 . 1 . . . . A 101 LYS HE3 . 30243 1 1262 . 1 1 101 101 LYS C C 13 177.513 0.000 . 1 . . . . A 101 LYS C . 30243 1 1263 . 1 1 101 101 LYS CA C 13 60.096 0.000 . 1 . . . . A 101 LYS CA . 30243 1 1264 . 1 1 101 101 LYS CB C 13 32.864 0.005 . 1 . . . . A 101 LYS CB . 30243 1 1265 . 1 1 101 101 LYS CG C 13 24.213 0.000 . 1 . . . . A 101 LYS CG . 30243 1 1266 . 1 1 101 101 LYS CD C 13 29.437 0.005 . 1 . . . . A 101 LYS CD . 30243 1 1267 . 1 1 101 101 LYS CE C 13 41.149 0.000 . 1 . . . . A 101 LYS CE . 30243 1 1268 . 1 1 101 101 LYS N N 15 120.681 0.013 . 1 . . . . A 101 LYS N . 30243 1 1269 . 1 1 102 102 MET H H 1 8.035 0.002 . 1 . . . . A 102 MET H . 30243 1 1270 . 1 1 102 102 MET HA H 1 4.165 0.002 . 1 . . . . A 102 MET HA . 30243 1 1271 . 1 1 102 102 MET HB2 H 1 2.236 0.004 . 2 . . . . A 102 MET HB2 . 30243 1 1272 . 1 1 102 102 MET HB3 H 1 2.139 0.008 . 2 . . . . A 102 MET HB3 . 30243 1 1273 . 1 1 102 102 MET HG2 H 1 2.685 0.006 . 2 . . . . A 102 MET HG2 . 30243 1 1274 . 1 1 102 102 MET HG3 H 1 2.611 0.013 . 2 . . . . A 102 MET HG3 . 30243 1 1275 . 1 1 102 102 MET HE1 H 1 2.080 0.000 . 1 . . . . A 102 MET HE1 . 30243 1 1276 . 1 1 102 102 MET HE2 H 1 2.080 0.000 . 1 . . . . A 102 MET HE2 . 30243 1 1277 . 1 1 102 102 MET HE3 H 1 2.080 0.000 . 1 . . . . A 102 MET HE3 . 30243 1 1278 . 1 1 102 102 MET C C 13 178.966 0.000 . 1 . . . . A 102 MET C . 30243 1 1279 . 1 1 102 102 MET CA C 13 58.617 0.001 . 1 . . . . A 102 MET CA . 30243 1 1280 . 1 1 102 102 MET CB C 13 31.990 0.001 . 1 . . . . A 102 MET CB . 30243 1 1281 . 1 1 102 102 MET CG C 13 31.823 0.004 . 1 . . . . A 102 MET CG . 30243 1 1282 . 1 1 102 102 MET CE C 13 16.651 0.000 . 1 . . . . A 102 MET CE . 30243 1 1283 . 1 1 102 102 MET N N 15 116.956 0.026 . 1 . . . . A 102 MET N . 30243 1 1284 . 1 1 103 103 THR H H 1 7.715 0.004 . 1 . . . . A 103 THR H . 30243 1 1285 . 1 1 103 103 THR HA H 1 3.849 0.008 . 1 . . . . A 103 THR HA . 30243 1 1286 . 1 1 103 103 THR HB H 1 3.966 0.002 . 1 . . . . A 103 THR HB . 30243 1 1287 . 1 1 103 103 THR HG21 H 1 0.765 0.010 . 1 . . . . A 103 THR HG21 . 30243 1 1288 . 1 1 103 103 THR HG22 H 1 0.765 0.010 . 1 . . . . A 103 THR HG22 . 30243 1 1289 . 1 1 103 103 THR HG23 H 1 0.765 0.010 . 1 . . . . A 103 THR HG23 . 30243 1 1290 . 1 1 103 103 THR C C 13 176.541 0.000 . 1 . . . . A 103 THR C . 30243 1 1291 . 1 1 103 103 THR CA C 13 66.142 0.001 . 1 . . . . A 103 THR CA . 30243 1 1292 . 1 1 103 103 THR CB C 13 67.808 0.001 . 1 . . . . A 103 THR CB . 30243 1 1293 . 1 1 103 103 THR CG2 C 13 21.971 0.000 . 1 . . . . A 103 THR CG2 . 30243 1 1294 . 1 1 103 103 THR N N 15 118.109 0.018 . 1 . . . . A 103 THR N . 30243 1 1295 . 1 1 104 104 LEU H H 1 8.555 0.003 . 1 . . . . A 104 LEU H . 30243 1 1296 . 1 1 104 104 LEU HA H 1 3.861 0.001 . 1 . . . . A 104 LEU HA . 30243 1 1297 . 1 1 104 104 LEU HB2 H 1 1.110 0.005 . 2 . . . . A 104 LEU HB2 . 30243 1 1298 . 1 1 104 104 LEU HB3 H 1 2.090 0.009 . 2 . . . . A 104 LEU HB3 . 30243 1 1299 . 1 1 104 104 LEU HG H 1 1.885 0.008 . 1 . . . . A 104 LEU HG . 30243 1 1300 . 1 1 104 104 LEU HD11 H 1 0.786 0.007 . 2 . . . . A 104 LEU HD11 . 30243 1 1301 . 1 1 104 104 LEU HD12 H 1 0.786 0.007 . 2 . . . . A 104 LEU HD12 . 30243 1 1302 . 1 1 104 104 LEU HD13 H 1 0.786 0.007 . 2 . . . . A 104 LEU HD13 . 30243 1 1303 . 1 1 104 104 LEU HD21 H 1 0.737 0.032 . 2 . . . . A 104 LEU HD21 . 30243 1 1304 . 1 1 104 104 LEU HD22 H 1 0.737 0.032 . 2 . . . . A 104 LEU HD22 . 30243 1 1305 . 1 1 104 104 LEU HD23 H 1 0.737 0.032 . 2 . . . . A 104 LEU HD23 . 30243 1 1306 . 1 1 104 104 LEU C C 13 178.351 0.000 . 1 . . . . A 104 LEU C . 30243 1 1307 . 1 1 104 104 LEU CA C 13 57.875 0.000 . 1 . . . . A 104 LEU CA . 30243 1 1308 . 1 1 104 104 LEU CB C 13 42.647 0.007 . 1 . . . . A 104 LEU CB . 30243 1 1309 . 1 1 104 104 LEU CG C 13 26.516 0.000 . 1 . . . . A 104 LEU CG . 30243 1 1310 . 1 1 104 104 LEU CD1 C 13 24.712 0.000 . 2 . . . . A 104 LEU CD1 . 30243 1 1311 . 1 1 104 104 LEU CD2 C 13 26.815 0.000 . 2 . . . . A 104 LEU CD2 . 30243 1 1312 . 1 1 104 104 LEU N N 15 119.326 0.021 . 1 . . . . A 104 LEU N . 30243 1 1313 . 1 1 105 105 GLN H H 1 8.715 0.003 . 1 . . . . A 105 GLN H . 30243 1 1314 . 1 1 105 105 GLN HA H 1 3.909 0.003 . 1 . . . . A 105 GLN HA . 30243 1 1315 . 1 1 105 105 GLN HB2 H 1 2.106 0.000 . 2 . . . . A 105 GLN HB2 . 30243 1 1316 . 1 1 105 105 GLN HB3 H 1 2.245 0.008 . 2 . . . . A 105 GLN HB3 . 30243 1 1317 . 1 1 105 105 GLN HG2 H 1 2.372 0.011 . 2 . . . . A 105 GLN HG2 . 30243 1 1318 . 1 1 105 105 GLN HG3 H 1 2.453 0.003 . 2 . . . . A 105 GLN HG3 . 30243 1 1319 . 1 1 105 105 GLN HE21 H 1 6.815 0.001 . 1 . . . . A 105 GLN HE21 . 30243 1 1320 . 1 1 105 105 GLN HE22 H 1 7.380 0.002 . 1 . . . . A 105 GLN HE22 . 30243 1 1321 . 1 1 105 105 GLN C C 13 178.755 0.000 . 1 . . . . A 105 GLN C . 30243 1 1322 . 1 1 105 105 GLN CA C 13 59.310 0.000 . 1 . . . . A 105 GLN CA . 30243 1 1323 . 1 1 105 105 GLN CB C 13 28.081 0.000 . 1 . . . . A 105 GLN CB . 30243 1 1324 . 1 1 105 105 GLN CG C 13 34.062 0.005 . 1 . . . . A 105 GLN CG . 30243 1 1325 . 1 1 105 105 GLN CD C 13 179.635 0.017 . 1 . . . . A 105 GLN CD . 30243 1 1326 . 1 1 105 105 GLN N N 15 118.089 0.012 . 1 . . . . A 105 GLN N . 30243 1 1327 . 1 1 105 105 GLN NE2 N 15 111.393 0.038 . 1 . . . . A 105 GLN NE2 . 30243 1 1328 . 1 1 106 106 GLN H H 1 7.611 0.002 . 1 . . . . A 106 GLN H . 30243 1 1329 . 1 1 106 106 GLN HA H 1 4.045 0.003 . 1 . . . . A 106 GLN HA . 30243 1 1330 . 1 1 106 106 GLN HB2 H 1 2.174 0.005 . 2 . . . . A 106 GLN HB2 . 30243 1 1331 . 1 1 106 106 GLN HB3 H 1 2.304 0.001 . 2 . . . . A 106 GLN HB3 . 30243 1 1332 . 1 1 106 106 GLN HG2 H 1 2.403 0.001 . 2 . . . . A 106 GLN HG2 . 30243 1 1333 . 1 1 106 106 GLN HG3 H 1 2.579 0.004 . 2 . . . . A 106 GLN HG3 . 30243 1 1334 . 1 1 106 106 GLN HE21 H 1 6.847 0.001 . 1 . . . . A 106 GLN HE21 . 30243 1 1335 . 1 1 106 106 GLN HE22 H 1 7.361 0.004 . 1 . . . . A 106 GLN HE22 . 30243 1 1336 . 1 1 106 106 GLN C C 13 178.631 0.000 . 1 . . . . A 106 GLN C . 30243 1 1337 . 1 1 106 106 GLN CA C 13 58.733 0.001 . 1 . . . . A 106 GLN CA . 30243 1 1338 . 1 1 106 106 GLN CB C 13 28.698 0.000 . 1 . . . . A 106 GLN CB . 30243 1 1339 . 1 1 106 106 GLN CG C 13 33.856 0.000 . 1 . . . . A 106 GLN CG . 30243 1 1340 . 1 1 106 106 GLN CD C 13 180.133 0.005 . 1 . . . . A 106 GLN CD . 30243 1 1341 . 1 1 106 106 GLN N N 15 118.229 0.008 . 1 . . . . A 106 GLN N . 30243 1 1342 . 1 1 106 106 GLN NE2 N 15 111.211 0.013 . 1 . . . . A 106 GLN NE2 . 30243 1 1343 . 1 1 107 107 ILE H H 1 7.826 0.004 . 1 . . . . A 107 ILE H . 30243 1 1344 . 1 1 107 107 ILE HA H 1 3.457 0.002 . 1 . . . . A 107 ILE HA . 30243 1 1345 . 1 1 107 107 ILE HB H 1 1.681 0.001 . 1 . . . . A 107 ILE HB . 30243 1 1346 . 1 1 107 107 ILE HG12 H 1 1.894 0.013 . 2 . . . . A 107 ILE HG12 . 30243 1 1347 . 1 1 107 107 ILE HG13 H 1 0.859 0.010 . 2 . . . . A 107 ILE HG13 . 30243 1 1348 . 1 1 107 107 ILE HG21 H 1 0.824 0.007 . 1 . . . . A 107 ILE HG21 . 30243 1 1349 . 1 1 107 107 ILE HG22 H 1 0.824 0.007 . 1 . . . . A 107 ILE HG22 . 30243 1 1350 . 1 1 107 107 ILE HG23 H 1 0.824 0.007 . 1 . . . . A 107 ILE HG23 . 30243 1 1351 . 1 1 107 107 ILE HD11 H 1 0.627 0.003 . 1 . . . . A 107 ILE HD11 . 30243 1 1352 . 1 1 107 107 ILE HD12 H 1 0.627 0.003 . 1 . . . . A 107 ILE HD12 . 30243 1 1353 . 1 1 107 107 ILE HD13 H 1 0.627 0.003 . 1 . . . . A 107 ILE HD13 . 30243 1 1354 . 1 1 107 107 ILE C C 13 177.638 0.000 . 1 . . . . A 107 ILE C . 30243 1 1355 . 1 1 107 107 ILE CA C 13 65.437 0.001 . 1 . . . . A 107 ILE CA . 30243 1 1356 . 1 1 107 107 ILE CB C 13 38.846 0.002 . 1 . . . . A 107 ILE CB . 30243 1 1357 . 1 1 107 107 ILE CG1 C 13 28.659 0.000 . 1 . . . . A 107 ILE CG1 . 30243 1 1358 . 1 1 107 107 ILE CG2 C 13 18.979 0.000 . 1 . . . . A 107 ILE CG2 . 30243 1 1359 . 1 1 107 107 ILE CD1 C 13 15.625 0.000 . 1 . . . . A 107 ILE CD1 . 30243 1 1360 . 1 1 107 107 ILE N N 15 120.344 0.013 . 1 . . . . A 107 ILE N . 30243 1 1361 . 1 1 108 108 ILE H H 1 8.741 0.001 . 1 . . . . A 108 ILE H . 30243 1 1362 . 1 1 108 108 ILE HA H 1 3.804 0.005 . 1 . . . . A 108 ILE HA . 30243 1 1363 . 1 1 108 108 ILE HB H 1 1.867 0.004 . 1 . . . . A 108 ILE HB . 30243 1 1364 . 1 1 108 108 ILE HG12 H 1 1.686 0.007 . 2 . . . . A 108 ILE HG12 . 30243 1 1365 . 1 1 108 108 ILE HG13 H 1 1.241 0.003 . 2 . . . . A 108 ILE HG13 . 30243 1 1366 . 1 1 108 108 ILE HG21 H 1 0.917 0.005 . 1 . . . . A 108 ILE HG21 . 30243 1 1367 . 1 1 108 108 ILE HG22 H 1 0.917 0.005 . 1 . . . . A 108 ILE HG22 . 30243 1 1368 . 1 1 108 108 ILE HG23 H 1 0.917 0.005 . 1 . . . . A 108 ILE HG23 . 30243 1 1369 . 1 1 108 108 ILE HD11 H 1 0.741 0.006 . 1 . . . . A 108 ILE HD11 . 30243 1 1370 . 1 1 108 108 ILE HD12 H 1 0.741 0.006 . 1 . . . . A 108 ILE HD12 . 30243 1 1371 . 1 1 108 108 ILE HD13 H 1 0.741 0.006 . 1 . . . . A 108 ILE HD13 . 30243 1 1372 . 1 1 108 108 ILE C C 13 179.211 0.000 . 1 . . . . A 108 ILE C . 30243 1 1373 . 1 1 108 108 ILE CA C 13 65.365 0.001 . 1 . . . . A 108 ILE CA . 30243 1 1374 . 1 1 108 108 ILE CB C 13 38.469 0.001 . 1 . . . . A 108 ILE CB . 30243 1 1375 . 1 1 108 108 ILE CG1 C 13 29.151 0.000 . 1 . . . . A 108 ILE CG1 . 30243 1 1376 . 1 1 108 108 ILE CG2 C 13 17.016 0.000 . 1 . . . . A 108 ILE CG2 . 30243 1 1377 . 1 1 108 108 ILE CD1 C 13 15.138 0.000 . 1 . . . . A 108 ILE CD1 . 30243 1 1378 . 1 1 108 108 ILE N N 15 117.380 0.024 . 1 . . . . A 108 ILE N . 30243 1 1379 . 1 1 109 109 SER H H 1 7.858 0.002 . 1 . . . . A 109 SER H . 30243 1 1380 . 1 1 109 109 SER HA H 1 4.204 0.007 . 1 . . . . A 109 SER HA . 30243 1 1381 . 1 1 109 109 SER HB2 H 1 4.007 0.004 . 2 . . . . A 109 SER HB2 . 30243 1 1382 . 1 1 109 109 SER HB3 H 1 4.001 0.000 . 2 . . . . A 109 SER HB3 . 30243 1 1383 . 1 1 109 109 SER C C 13 176.058 0.000 . 1 . . . . A 109 SER C . 30243 1 1384 . 1 1 109 109 SER CA C 13 61.831 0.000 . 1 . . . . A 109 SER CA . 30243 1 1385 . 1 1 109 109 SER CB C 13 62.867 0.001 . 1 . . . . A 109 SER CB . 30243 1 1386 . 1 1 109 109 SER N N 15 114.420 0.013 . 1 . . . . A 109 SER N . 30243 1 1387 . 1 1 110 110 ARG H H 1 7.561 0.003 . 1 . . . . A 110 ARG H . 30243 1 1388 . 1 1 110 110 ARG HA H 1 4.105 0.004 . 1 . . . . A 110 ARG HA . 30243 1 1389 . 1 1 110 110 ARG HB2 H 1 1.662 0.000 . 1 . . . . A 110 ARG HB2 . 30243 1 1390 . 1 1 110 110 ARG HB3 H 1 1.662 0.000 . 1 . . . . A 110 ARG HB3 . 30243 1 1391 . 1 1 110 110 ARG HG2 H 1 1.505 0.006 . 2 . . . . A 110 ARG HG2 . 30243 1 1392 . 1 1 110 110 ARG HG3 H 1 1.659 0.003 . 2 . . . . A 110 ARG HG3 . 30243 1 1393 . 1 1 110 110 ARG HD2 H 1 3.135 0.003 . 2 . . . . A 110 ARG HD2 . 30243 1 1394 . 1 1 110 110 ARG HD3 H 1 2.995 0.004 . 2 . . . . A 110 ARG HD3 . 30243 1 1395 . 1 1 110 110 ARG HE H 1 7.064 0.000 . 1 . . . . A 110 ARG HE . 30243 1 1396 . 1 1 110 110 ARG C C 13 178.547 0.000 . 1 . . . . A 110 ARG C . 30243 1 1397 . 1 1 110 110 ARG CA C 13 58.443 0.001 . 1 . . . . A 110 ARG CA . 30243 1 1398 . 1 1 110 110 ARG CB C 13 29.780 0.000 . 1 . . . . A 110 ARG CB . 30243 1 1399 . 1 1 110 110 ARG CG C 13 26.944 0.007 . 1 . . . . A 110 ARG CG . 30243 1 1400 . 1 1 110 110 ARG CD C 13 43.568 0.000 . 1 . . . . A 110 ARG CD . 30243 1 1401 . 1 1 110 110 ARG N N 15 121.165 0.014 . 1 . . . . A 110 ARG N . 30243 1 1402 . 1 1 110 110 ARG NE N 15 84.823 0.000 . 1 . . . . A 110 ARG NE . 30243 1 1403 . 1 1 111 111 TYR H H 1 7.456 0.003 . 1 . . . . A 111 TYR H . 30243 1 1404 . 1 1 111 111 TYR HA H 1 4.766 0.000 . 1 . . . . A 111 TYR HA . 30243 1 1405 . 1 1 111 111 TYR HB2 H 1 3.058 0.005 . 2 . . . . A 111 TYR HB2 . 30243 1 1406 . 1 1 111 111 TYR HB3 H 1 3.391 0.002 . 2 . . . . A 111 TYR HB3 . 30243 1 1407 . 1 1 111 111 TYR HD1 H 1 7.090 0.004 . 3 . . . . A 111 TYR HD1 . 30243 1 1408 . 1 1 111 111 TYR HD2 H 1 7.090 0.004 . 3 . . . . A 111 TYR HD2 . 30243 1 1409 . 1 1 111 111 TYR HE1 H 1 6.710 0.006 . 3 . . . . A 111 TYR HE1 . 30243 1 1410 . 1 1 111 111 TYR HE2 H 1 6.710 0.006 . 3 . . . . A 111 TYR HE2 . 30243 1 1411 . 1 1 111 111 TYR C C 13 177.027 0.000 . 1 . . . . A 111 TYR C . 30243 1 1412 . 1 1 111 111 TYR CA C 13 57.604 0.000 . 1 . . . . A 111 TYR CA . 30243 1 1413 . 1 1 111 111 TYR CB C 13 37.388 0.009 . 1 . . . . A 111 TYR CB . 30243 1 1414 . 1 1 111 111 TYR CD1 C 13 132.560 0.000 . 3 . . . . A 111 TYR CD1 . 30243 1 1415 . 1 1 111 111 TYR CD2 C 13 132.560 0.000 . 3 . . . . A 111 TYR CD2 . 30243 1 1416 . 1 1 111 111 TYR CE1 C 13 117.799 0.000 . 3 . . . . A 111 TYR CE1 . 30243 1 1417 . 1 1 111 111 TYR CE2 C 13 117.799 0.000 . 3 . . . . A 111 TYR CE2 . 30243 1 1418 . 1 1 111 111 TYR N N 15 117.191 0.009 . 1 . . . . A 111 TYR N . 30243 1 1419 . 1 1 112 112 LYS H H 1 7.774 0.002 . 1 . . . . A 112 LYS H . 30243 1 1420 . 1 1 112 112 LYS HA H 1 4.356 0.004 . 1 . . . . A 112 LYS HA . 30243 1 1421 . 1 1 112 112 LYS HB2 H 1 1.942 0.004 . 1 . . . . A 112 LYS HB2 . 30243 1 1422 . 1 1 112 112 LYS HB3 H 1 1.942 0.003 . 1 . . . . A 112 LYS HB3 . 30243 1 1423 . 1 1 112 112 LYS HG2 H 1 1.656 0.003 . 2 . . . . A 112 LYS HG2 . 30243 1 1424 . 1 1 112 112 LYS HG3 H 1 1.579 0.005 . 2 . . . . A 112 LYS HG3 . 30243 1 1425 . 1 1 112 112 LYS HD2 H 1 1.794 0.000 . 1 . . . . A 112 LYS HD2 . 30243 1 1426 . 1 1 112 112 LYS HD3 H 1 1.794 0.000 . 1 . . . . A 112 LYS HD3 . 30243 1 1427 . 1 1 112 112 LYS HE2 H 1 3.083 0.000 . 1 . . . . A 112 LYS HE2 . 30243 1 1428 . 1 1 112 112 LYS HE3 H 1 3.083 0.000 . 1 . . . . A 112 LYS HE3 . 30243 1 1429 . 1 1 112 112 LYS C C 13 177.371 0.000 . 1 . . . . A 112 LYS C . 30243 1 1430 . 1 1 112 112 LYS CA C 13 57.191 0.001 . 1 . . . . A 112 LYS CA . 30243 1 1431 . 1 1 112 112 LYS CB C 13 32.725 0.001 . 1 . . . . A 112 LYS CB . 30243 1 1432 . 1 1 112 112 LYS CG C 13 24.605 0.016 . 1 . . . . A 112 LYS CG . 30243 1 1433 . 1 1 112 112 LYS CD C 13 28.804 0.000 . 1 . . . . A 112 LYS CD . 30243 1 1434 . 1 1 112 112 LYS CE C 13 41.804 0.000 . 1 . . . . A 112 LYS CE . 30243 1 1435 . 1 1 112 112 LYS N N 15 120.991 0.023 . 1 . . . . A 112 LYS N . 30243 1 1436 . 1 1 113 113 ASP H H 1 8.299 0.002 . 1 . . . . A 113 ASP H . 30243 1 1437 . 1 1 113 113 ASP HA H 1 4.619 0.003 . 1 . . . . A 113 ASP HA . 30243 1 1438 . 1 1 113 113 ASP HB2 H 1 2.697 0.003 . 2 . . . . A 113 ASP HB2 . 30243 1 1439 . 1 1 113 113 ASP HB3 H 1 2.758 0.008 . 2 . . . . A 113 ASP HB3 . 30243 1 1440 . 1 1 113 113 ASP C C 13 176.664 0.000 . 1 . . . . A 113 ASP C . 30243 1 1441 . 1 1 113 113 ASP CA C 13 55.037 0.000 . 1 . . . . A 113 ASP CA . 30243 1 1442 . 1 1 113 113 ASP CB C 13 40.954 0.002 . 1 . . . . A 113 ASP CB . 30243 1 1443 . 1 1 113 113 ASP N N 15 120.787 0.024 . 1 . . . . A 113 ASP N . 30243 1 1444 . 1 1 114 114 ALA H H 1 8.038 0.002 . 1 . . . . A 114 ALA H . 30243 1 1445 . 1 1 114 114 ALA HA H 1 4.336 0.006 . 1 . . . . A 114 ALA HA . 30243 1 1446 . 1 1 114 114 ALA HB1 H 1 1.478 0.000 . 1 . . . . A 114 ALA HB1 . 30243 1 1447 . 1 1 114 114 ALA HB2 H 1 1.478 0.000 . 1 . . . . A 114 ALA HB2 . 30243 1 1448 . 1 1 114 114 ALA HB3 H 1 1.478 0.000 . 1 . . . . A 114 ALA HB3 . 30243 1 1449 . 1 1 114 114 ALA C C 13 177.983 0.000 . 1 . . . . A 114 ALA C . 30243 1 1450 . 1 1 114 114 ALA CA C 13 52.866 0.000 . 1 . . . . A 114 ALA CA . 30243 1 1451 . 1 1 114 114 ALA CB C 13 19.027 0.000 . 1 . . . . A 114 ALA CB . 30243 1 1452 . 1 1 114 114 ALA N N 15 123.604 0.007 . 1 . . . . A 114 ALA N . 30243 1 1453 . 1 1 115 115 ASP H H 1 8.223 0.001 . 1 . . . . A 115 ASP H . 30243 1 1454 . 1 1 115 115 ASP HA H 1 4.630 0.001 . 1 . . . . A 115 ASP HA . 30243 1 1455 . 1 1 115 115 ASP HB2 H 1 2.728 0.000 . 2 . . . . A 115 ASP HB2 . 30243 1 1456 . 1 1 115 115 ASP HB3 H 1 2.735 0.006 . 2 . . . . A 115 ASP HB3 . 30243 1 1457 . 1 1 115 115 ASP CA C 13 54.476 0.000 . 1 . . . . A 115 ASP CA . 30243 1 1458 . 1 1 115 115 ASP CB C 13 41.100 0.001 . 1 . . . . A 115 ASP CB . 30243 1 1459 . 1 1 115 115 ASP N N 15 119.283 0.033 . 1 . . . . A 115 ASP N . 30243 1 1460 . 2 2 1 1 GLY HA2 H 1 3.862 0.000 . 1 . . . . B 519 GLY HA2 . 30243 1 1461 . 2 2 1 1 GLY HA3 H 1 3.862 0.000 . 1 . . . . B 519 GLY HA3 . 30243 1 1462 . 2 2 1 1 GLY CA C 13 43.151 0.000 . 1 . . . . B 519 GLY CA . 30243 1 1463 . 2 2 2 2 SER HA H 1 4.841 0.000 . 1 . . . . B 520 SER HA . 30243 1 1464 . 2 2 2 2 SER HB2 H 1 3.860 0.000 . 2 . . . . B 520 SER HB2 . 30243 1 1465 . 2 2 2 2 SER HB3 H 1 3.847 0.000 . 2 . . . . B 520 SER HB3 . 30243 1 1466 . 2 2 2 2 SER CA C 13 56.466 0.000 . 1 . . . . B 520 SER CA . 30243 1 1467 . 2 2 2 2 SER CB C 13 63.562 0.000 . 1 . . . . B 520 SER CB . 30243 1 1468 . 2 2 3 3 PRO HA H 1 4.414 0.000 . 1 . . . . B 521 PRO HA . 30243 1 1469 . 2 2 3 3 PRO HB2 H 1 1.877 0.000 . 2 . . . . B 521 PRO HB2 . 30243 1 1470 . 2 2 3 3 PRO HB3 H 1 2.257 0.000 . 2 . . . . B 521 PRO HB3 . 30243 1 1471 . 2 2 3 3 PRO HG2 H 1 2.022 0.000 . 2 . . . . B 521 PRO HG2 . 30243 1 1472 . 2 2 3 3 PRO HG3 H 1 2.020 0.000 . 2 . . . . B 521 PRO HG3 . 30243 1 1473 . 2 2 3 3 PRO HD2 H 1 3.733 0.000 . 2 . . . . B 521 PRO HD2 . 30243 1 1474 . 2 2 3 3 PRO HD3 H 1 3.843 0.000 . 2 . . . . B 521 PRO HD3 . 30243 1 1475 . 2 2 3 3 PRO C C 13 177.272 0.000 . 1 . . . . B 521 PRO C . 30243 1 1476 . 2 2 3 3 PRO CA C 13 63.621 0.000 . 1 . . . . B 521 PRO CA . 30243 1 1477 . 2 2 3 3 PRO CB C 13 32.006 0.015 . 1 . . . . B 521 PRO CB . 30243 1 1478 . 2 2 3 3 PRO CG C 13 27.453 0.000 . 1 . . . . B 521 PRO CG . 30243 1 1479 . 2 2 3 3 PRO CD C 13 50.769 0.016 . 1 . . . . B 521 PRO CD . 30243 1 1480 . 2 2 4 4 GLY H H 1 8.330 0.000 . 1 . . . . B 522 GLY H . 30243 1 1481 . 2 2 4 4 GLY HA2 H 1 3.824 0.000 . 1 . . . . B 522 GLY HA2 . 30243 1 1482 . 2 2 4 4 GLY HA3 H 1 3.824 0.000 . 1 . . . . B 522 GLY HA3 . 30243 1 1483 . 2 2 4 4 GLY C C 13 173.396 0.000 . 1 . . . . B 522 GLY C . 30243 1 1484 . 2 2 4 4 GLY CA C 13 44.880 0.000 . 1 . . . . B 522 GLY CA . 30243 1 1485 . 2 2 4 4 GLY N N 15 108.831 0.000 . 1 . . . . B 522 GLY N . 30243 1 1486 . 2 2 5 5 TYR H H 1 7.993 0.000 . 1 . . . . B 523 TYR H . 30243 1 1487 . 2 2 5 5 TYR HA H 1 4.829 0.000 . 1 . . . . B 523 TYR HA . 30243 1 1488 . 2 2 5 5 TYR HB2 H 1 3.031 0.000 . 2 . . . . B 523 TYR HB2 . 30243 1 1489 . 2 2 5 5 TYR HB3 H 1 2.824 0.000 . 2 . . . . B 523 TYR HB3 . 30243 1 1490 . 2 2 5 5 TYR HD1 H 1 7.120 0.000 . 3 . . . . B 523 TYR HD1 . 30243 1 1491 . 2 2 5 5 TYR HD2 H 1 7.120 0.000 . 3 . . . . B 523 TYR HD2 . 30243 1 1492 . 2 2 5 5 TYR CA C 13 55.770 0.000 . 1 . . . . B 523 TYR CA . 30243 1 1493 . 2 2 5 5 TYR CB C 13 38.341 0.015 . 1 . . . . B 523 TYR CB . 30243 1 1494 . 2 2 5 5 TYR CD1 C 13 132.642 0.000 . 3 . . . . B 523 TYR CD1 . 30243 1 1495 . 2 2 5 5 TYR CD2 C 13 132.642 0.000 . 3 . . . . B 523 TYR CD2 . 30243 1 1496 . 2 2 5 5 TYR N N 15 120.531 0.000 . 1 . . . . B 523 TYR N . 30243 1 1497 . 2 2 6 6 PRO HA H 1 4.408 0.000 . 1 . . . . B 524 PRO HA . 30243 1 1498 . 2 2 6 6 PRO HB2 H 1 2.258 0.000 . 2 . . . . B 524 PRO HB2 . 30243 1 1499 . 2 2 6 6 PRO HB3 H 1 1.929 0.000 . 2 . . . . B 524 PRO HB3 . 30243 1 1500 . 2 2 6 6 PRO HG2 H 1 1.981 0.000 . 2 . . . . B 524 PRO HG2 . 30243 1 1501 . 2 2 6 6 PRO HG3 H 1 1.984 0.000 . 2 . . . . B 524 PRO HG3 . 30243 1 1502 . 2 2 6 6 PRO HD2 H 1 3.521 0.000 . 2 . . . . B 524 PRO HD2 . 30243 1 1503 . 2 2 6 6 PRO HD3 H 1 3.715 0.000 . 2 . . . . B 524 PRO HD3 . 30243 1 1504 . 2 2 6 6 PRO C C 13 176.835 0.000 . 1 . . . . B 524 PRO C . 30243 1 1505 . 2 2 6 6 PRO CA C 13 63.548 0.000 . 1 . . . . B 524 PRO CA . 30243 1 1506 . 2 2 6 6 PRO CB C 13 32.002 0.012 . 1 . . . . B 524 PRO CB . 30243 1 1507 . 2 2 6 6 PRO CG C 13 27.419 0.003 . 1 . . . . B 524 PRO CG . 30243 1 1508 . 2 2 6 6 PRO CD C 13 50.603 0.005 . 1 . . . . B 524 PRO CD . 30243 1 1509 . 2 2 7 7 ASN H H 1 8.435 0.000 . 1 . . . . B 525 ASN H . 30243 1 1510 . 2 2 7 7 ASN HA H 1 4.693 0.000 . 1 . . . . B 525 ASN HA . 30243 1 1511 . 2 2 7 7 ASN HB2 H 1 2.861 0.000 . 2 . . . . B 525 ASN HB2 . 30243 1 1512 . 2 2 7 7 ASN HB3 H 1 2.796 0.000 . 2 . . . . B 525 ASN HB3 . 30243 1 1513 . 2 2 7 7 ASN HD21 H 1 6.924 0.000 . 1 . . . . B 525 ASN HD21 . 30243 1 1514 . 2 2 7 7 ASN HD22 H 1 7.615 0.000 . 1 . . . . B 525 ASN HD22 . 30243 1 1515 . 2 2 7 7 ASN C C 13 175.871 0.000 . 1 . . . . B 525 ASN C . 30243 1 1516 . 2 2 7 7 ASN CA C 13 53.326 0.000 . 1 . . . . B 525 ASN CA . 30243 1 1517 . 2 2 7 7 ASN CB C 13 38.870 0.011 . 1 . . . . B 525 ASN CB . 30243 1 1518 . 2 2 7 7 ASN CG C 13 177.158 0.025 . 1 . . . . B 525 ASN CG . 30243 1 1519 . 2 2 7 7 ASN N N 15 118.189 0.000 . 1 . . . . B 525 ASN N . 30243 1 1520 . 2 2 7 7 ASN ND2 N 15 112.722 0.016 . 1 . . . . B 525 ASN ND2 . 30243 1 1521 . 2 2 8 8 GLY H H 1 8.315 0.000 . 1 . . . . B 526 GLY H . 30243 1 1522 . 2 2 8 8 GLY HA2 H 1 3.943 0.000 . 1 . . . . B 526 GLY HA2 . 30243 1 1523 . 2 2 8 8 GLY HA3 H 1 3.943 0.000 . 1 . . . . B 526 GLY HA3 . 30243 1 1524 . 2 2 8 8 GLY C C 13 174.060 0.000 . 1 . . . . B 526 GLY C . 30243 1 1525 . 2 2 8 8 GLY CA C 13 45.423 0.000 . 1 . . . . B 526 GLY CA . 30243 1 1526 . 2 2 8 8 GLY N N 15 108.937 0.000 . 1 . . . . B 526 GLY N . 30243 1 1527 . 2 2 9 9 LEU H H 1 8.022 0.000 . 1 . . . . B 527 LEU H . 30243 1 1528 . 2 2 9 9 LEU HA H 1 4.336 0.000 . 1 . . . . B 527 LEU HA . 30243 1 1529 . 2 2 9 9 LEU HB2 H 1 1.613 0.000 . 2 . . . . B 527 LEU HB2 . 30243 1 1530 . 2 2 9 9 LEU HB3 H 1 1.560 0.000 . 2 . . . . B 527 LEU HB3 . 30243 1 1531 . 2 2 9 9 LEU HG H 1 1.559 0.000 . 1 . . . . B 527 LEU HG . 30243 1 1532 . 2 2 9 9 LEU HD11 H 1 0.881 0.000 . 2 . . . . B 527 LEU HD11 . 30243 1 1533 . 2 2 9 9 LEU HD12 H 1 0.881 0.000 . 2 . . . . B 527 LEU HD12 . 30243 1 1534 . 2 2 9 9 LEU HD13 H 1 0.881 0.000 . 2 . . . . B 527 LEU HD13 . 30243 1 1535 . 2 2 9 9 LEU HD21 H 1 0.818 0.000 . 2 . . . . B 527 LEU HD21 . 30243 1 1536 . 2 2 9 9 LEU HD22 H 1 0.818 0.000 . 2 . . . . B 527 LEU HD22 . 30243 1 1537 . 2 2 9 9 LEU HD23 H 1 0.818 0.000 . 2 . . . . B 527 LEU HD23 . 30243 1 1538 . 2 2 9 9 LEU C C 13 177.303 0.000 . 1 . . . . B 527 LEU C . 30243 1 1539 . 2 2 9 9 LEU CA C 13 55.243 0.000 . 1 . . . . B 527 LEU CA . 30243 1 1540 . 2 2 9 9 LEU CB C 13 42.178 0.005 . 1 . . . . B 527 LEU CB . 30243 1 1541 . 2 2 9 9 LEU CG C 13 27.125 0.000 . 1 . . . . B 527 LEU CG . 30243 1 1542 . 2 2 9 9 LEU CD1 C 13 25.140 0.000 . 2 . . . . B 527 LEU CD1 . 30243 1 1543 . 2 2 9 9 LEU CD2 C 13 23.448 0.000 . 2 . . . . B 527 LEU CD2 . 30243 1 1544 . 2 2 9 9 LEU N N 15 121.388 0.000 . 1 . . . . B 527 LEU N . 30243 1 1545 . 2 2 10 10 LEU H H 1 8.212 0.000 . 1 . . . . B 528 LEU H . 30243 1 1546 . 2 2 10 10 LEU HA H 1 4.388 0.000 . 1 . . . . B 528 LEU HA . 30243 1 1547 . 2 2 10 10 LEU HB2 H 1 1.627 0.000 . 2 . . . . B 528 LEU HB2 . 30243 1 1548 . 2 2 10 10 LEU HB3 H 1 1.578 0.000 . 2 . . . . B 528 LEU HB3 . 30243 1 1549 . 2 2 10 10 LEU HG H 1 1.577 0.000 . 1 . . . . B 528 LEU HG . 30243 1 1550 . 2 2 10 10 LEU HD11 H 1 0.814 0.000 . 2 . . . . B 528 LEU HD11 . 30243 1 1551 . 2 2 10 10 LEU HD12 H 1 0.814 0.000 . 2 . . . . B 528 LEU HD12 . 30243 1 1552 . 2 2 10 10 LEU HD13 H 1 0.814 0.000 . 2 . . . . B 528 LEU HD13 . 30243 1 1553 . 2 2 10 10 LEU HD21 H 1 0.878 0.000 . 2 . . . . B 528 LEU HD21 . 30243 1 1554 . 2 2 10 10 LEU HD22 H 1 0.878 0.000 . 2 . . . . B 528 LEU HD22 . 30243 1 1555 . 2 2 10 10 LEU HD23 H 1 0.878 0.000 . 2 . . . . B 528 LEU HD23 . 30243 1 1556 . 2 2 10 10 LEU C C 13 177.362 0.000 . 1 . . . . B 528 LEU C . 30243 1 1557 . 2 2 10 10 LEU CA C 13 54.869 0.000 . 1 . . . . B 528 LEU CA . 30243 1 1558 . 2 2 10 10 LEU CB C 13 42.182 0.003 . 1 . . . . B 528 LEU CB . 30243 1 1559 . 2 2 10 10 LEU CG C 13 27.132 0.000 . 1 . . . . B 528 LEU CG . 30243 1 1560 . 2 2 10 10 LEU CD1 C 13 23.514 0.000 . 2 . . . . B 528 LEU CD1 . 30243 1 1561 . 2 2 10 10 LEU CD2 C 13 25.144 0.000 . 2 . . . . B 528 LEU CD2 . 30243 1 1562 . 2 2 10 10 LEU N N 15 122.306 0.000 . 1 . . . . B 528 LEU N . 30243 1 1563 . 2 2 11 11 SER H H 1 8.358 0.000 . 1 . . . . B 529 SER H . 30243 1 1564 . 2 2 11 11 SER HA H 1 4.382 0.000 . 1 . . . . B 529 SER HA . 30243 1 1565 . 2 2 11 11 SER HB2 H 1 3.800 0.000 . 1 . . . . B 529 SER HB2 . 30243 1 1566 . 2 2 11 11 SER HB3 H 1 3.800 0.000 . 1 . . . . B 529 SER HB3 . 30243 1 1567 . 2 2 11 11 SER C C 13 175.169 0.000 . 1 . . . . B 529 SER C . 30243 1 1568 . 2 2 11 11 SER CA C 13 58.399 0.000 . 1 . . . . B 529 SER CA . 30243 1 1569 . 2 2 11 11 SER CB C 13 63.854 0.000 . 1 . . . . B 529 SER CB . 30243 1 1570 . 2 2 11 11 SER N N 15 116.400 0.000 . 1 . . . . B 529 SER N . 30243 1 1571 . 2 2 12 12 GLY H H 1 8.506 0.000 . 1 . . . . B 530 GLY H . 30243 1 1572 . 2 2 12 12 GLY HA2 H 1 3.976 0.000 . 1 . . . . B 530 GLY HA2 . 30243 1 1573 . 2 2 12 12 GLY HA3 H 1 3.976 0.000 . 1 . . . . B 530 GLY HA3 . 30243 1 1574 . 2 2 12 12 GLY C C 13 174.107 0.000 . 1 . . . . B 530 GLY C . 30243 1 1575 . 2 2 12 12 GLY CA C 13 45.409 0.000 . 1 . . . . B 530 GLY CA . 30243 1 1576 . 2 2 12 12 GLY N N 15 111.162 0.000 . 1 . . . . B 530 GLY N . 30243 1 1577 . 2 2 13 13 ASP H H 1 8.210 0.000 . 1 . . . . B 531 ASP H . 30243 1 1578 . 2 2 13 13 ASP HA H 1 4.599 0.000 . 1 . . . . B 531 ASP HA . 30243 1 1579 . 2 2 13 13 ASP HB2 H 1 2.672 0.000 . 2 . . . . B 531 ASP HB2 . 30243 1 1580 . 2 2 13 13 ASP HB3 H 1 2.570 0.000 . 2 . . . . B 531 ASP HB3 . 30243 1 1581 . 2 2 13 13 ASP C C 13 176.630 0.000 . 1 . . . . B 531 ASP C . 30243 1 1582 . 2 2 13 13 ASP CA C 13 54.494 0.000 . 1 . . . . B 531 ASP CA . 30243 1 1583 . 2 2 13 13 ASP CB C 13 41.296 0.003 . 1 . . . . B 531 ASP CB . 30243 1 1584 . 2 2 13 13 ASP N N 15 120.367 0.000 . 1 . . . . B 531 ASP N . 30243 1 1585 . 2 2 14 14 GLU H H 1 8.481 0.000 . 1 . . . . B 532 GLU H . 30243 1 1586 . 2 2 14 14 GLU HA H 1 4.140 0.000 . 1 . . . . B 532 GLU HA . 30243 1 1587 . 2 2 14 14 GLU HB2 H 1 1.908 0.000 . 2 . . . . B 532 GLU HB2 . 30243 1 1588 . 2 2 14 14 GLU HB3 H 1 1.851 0.000 . 2 . . . . B 532 GLU HB3 . 30243 1 1589 . 2 2 14 14 GLU HG2 H 1 2.184 0.000 . 1 . . . . B 532 GLU HG2 . 30243 1 1590 . 2 2 14 14 GLU HG3 H 1 2.184 0.000 . 1 . . . . B 532 GLU HG3 . 30243 1 1591 . 2 2 14 14 GLU C C 13 176.202 0.000 . 1 . . . . B 532 GLU C . 30243 1 1592 . 2 2 14 14 GLU CA C 13 57.069 0.014 . 1 . . . . B 532 GLU CA . 30243 1 1593 . 2 2 14 14 GLU CB C 13 30.055 0.007 . 1 . . . . B 532 GLU CB . 30243 1 1594 . 2 2 14 14 GLU CG C 13 36.377 0.000 . 1 . . . . B 532 GLU CG . 30243 1 1595 . 2 2 14 14 GLU N N 15 120.562 0.000 . 1 . . . . B 532 GLU N . 30243 1 1596 . 2 2 15 15 ASP H H 1 8.200 0.000 . 1 . . . . B 533 ASP H . 30243 1 1597 . 2 2 15 15 ASP HA H 1 4.522 0.000 . 1 . . . . B 533 ASP HA . 30243 1 1598 . 2 2 15 15 ASP HB2 H 1 2.498 0.000 . 2 . . . . B 533 ASP HB2 . 30243 1 1599 . 2 2 15 15 ASP HB3 H 1 2.580 0.000 . 2 . . . . B 533 ASP HB3 . 30243 1 1600 . 2 2 15 15 ASP C C 13 176.193 0.000 . 1 . . . . B 533 ASP C . 30243 1 1601 . 2 2 15 15 ASP CA C 13 54.191 0.006 . 1 . . . . B 533 ASP CA . 30243 1 1602 . 2 2 15 15 ASP CB C 13 41.190 0.010 . 1 . . . . B 533 ASP CB . 30243 1 1603 . 2 2 15 15 ASP N N 15 120.261 0.000 . 1 . . . . B 533 ASP N . 30243 1 1604 . 2 2 16 16 PHE H H 1 8.141 0.000 . 1 . . . . B 534 PHE H . 30243 1 1605 . 2 2 16 16 PHE HA H 1 4.525 0.000 . 1 . . . . B 534 PHE HA . 30243 1 1606 . 2 2 16 16 PHE HB2 H 1 2.946 0.000 . 2 . . . . B 534 PHE HB2 . 30243 1 1607 . 2 2 16 16 PHE HB3 H 1 3.152 0.000 . 2 . . . . B 534 PHE HB3 . 30243 1 1608 . 2 2 16 16 PHE HD1 H 1 7.158 0.000 . 3 . . . . B 534 PHE HD1 . 30243 1 1609 . 2 2 16 16 PHE HD2 H 1 7.158 0.000 . 3 . . . . B 534 PHE HD2 . 30243 1 1610 . 2 2 16 16 PHE C C 13 176.170 0.000 . 1 . . . . B 534 PHE C . 30243 1 1611 . 2 2 16 16 PHE CA C 13 58.101 0.000 . 1 . . . . B 534 PHE CA . 30243 1 1612 . 2 2 16 16 PHE CB C 13 39.337 0.006 . 1 . . . . B 534 PHE CB . 30243 1 1613 . 2 2 16 16 PHE CD1 C 13 131.379 0.000 . 3 . . . . B 534 PHE CD1 . 30243 1 1614 . 2 2 16 16 PHE CD2 C 13 131.379 0.000 . 3 . . . . B 534 PHE CD2 . 30243 1 1615 . 2 2 16 16 PHE N N 15 120.629 0.000 . 1 . . . . B 534 PHE N . 30243 1 1616 . 2 2 17 17 SER H H 1 8.245 0.000 . 1 . . . . B 535 SER H . 30243 1 1617 . 2 2 17 17 SER HA H 1 4.375 0.005 . 1 . . . . B 535 SER HA . 30243 1 1618 . 2 2 17 17 SER HB2 H 1 3.858 0.005 . 2 . . . . B 535 SER HB2 . 30243 1 1619 . 2 2 17 17 SER HB3 H 1 3.823 0.000 . 2 . . . . B 535 SER HB3 . 30243 1 1620 . 2 2 17 17 SER C C 13 174.834 0.000 . 1 . . . . B 535 SER C . 30243 1 1621 . 2 2 17 17 SER CA C 13 59.125 0.023 . 1 . . . . B 535 SER CA . 30243 1 1622 . 2 2 17 17 SER CB C 13 63.785 0.004 . 1 . . . . B 535 SER CB . 30243 1 1623 . 2 2 17 17 SER N N 15 116.182 0.000 . 1 . . . . B 535 SER N . 30243 1 1624 . 2 2 18 18 SER H H 1 8.238 0.000 . 1 . . . . B 536 SER H . 30243 1 1625 . 2 2 18 18 SER HA H 1 4.468 0.006 . 1 . . . . B 536 SER HA . 30243 1 1626 . 2 2 18 18 SER HB2 H 1 3.873 0.000 . 2 . . . . B 536 SER HB2 . 30243 1 1627 . 2 2 18 18 SER HB3 H 1 3.870 0.003 . 2 . . . . B 536 SER HB3 . 30243 1 1628 . 2 2 18 18 SER C C 13 174.883 0.000 . 1 . . . . B 536 SER C . 30243 1 1629 . 2 2 18 18 SER CA C 13 58.591 0.026 . 1 . . . . B 536 SER CA . 30243 1 1630 . 2 2 18 18 SER CB C 13 63.654 0.000 . 1 . . . . B 536 SER CB . 30243 1 1631 . 2 2 18 18 SER N N 15 117.392 0.000 . 1 . . . . B 536 SER N . 30243 1 1632 . 2 2 19 19 ILE H H 1 7.943 0.000 . 1 . . . . B 537 ILE H . 30243 1 1633 . 2 2 19 19 ILE HA H 1 4.113 0.000 . 1 . . . . B 537 ILE HA . 30243 1 1634 . 2 2 19 19 ILE HB H 1 1.865 0.000 . 1 . . . . B 537 ILE HB . 30243 1 1635 . 2 2 19 19 ILE HG12 H 1 1.446 0.000 . 2 . . . . B 537 ILE HG12 . 30243 1 1636 . 2 2 19 19 ILE HG13 H 1 1.163 0.000 . 2 . . . . B 537 ILE HG13 . 30243 1 1637 . 2 2 19 19 ILE HG21 H 1 0.883 0.001 . 1 . . . . B 537 ILE HG21 . 30243 1 1638 . 2 2 19 19 ILE HG22 H 1 0.883 0.001 . 1 . . . . B 537 ILE HG22 . 30243 1 1639 . 2 2 19 19 ILE HG23 H 1 0.883 0.001 . 1 . . . . B 537 ILE HG23 . 30243 1 1640 . 2 2 19 19 ILE HD11 H 1 0.816 0.001 . 1 . . . . B 537 ILE HD11 . 30243 1 1641 . 2 2 19 19 ILE HD12 H 1 0.816 0.001 . 1 . . . . B 537 ILE HD12 . 30243 1 1642 . 2 2 19 19 ILE HD13 H 1 0.816 0.001 . 1 . . . . B 537 ILE HD13 . 30243 1 1643 . 2 2 19 19 ILE C C 13 176.239 0.000 . 1 . . . . B 537 ILE C . 30243 1 1644 . 2 2 19 19 ILE CA C 13 61.696 0.000 . 1 . . . . B 537 ILE CA . 30243 1 1645 . 2 2 19 19 ILE CB C 13 38.490 0.000 . 1 . . . . B 537 ILE CB . 30243 1 1646 . 2 2 19 19 ILE CG1 C 13 27.626 0.006 . 1 . . . . B 537 ILE CG1 . 30243 1 1647 . 2 2 19 19 ILE CG2 C 13 17.807 0.000 . 1 . . . . B 537 ILE CG2 . 30243 1 1648 . 2 2 19 19 ILE CD1 C 13 13.408 0.000 . 1 . . . . B 537 ILE CD1 . 30243 1 1649 . 2 2 19 19 ILE N N 15 121.739 0.000 . 1 . . . . B 537 ILE N . 30243 1 1650 . 2 2 20 20 ALA H H 1 8.163 0.000 . 1 . . . . B 538 ALA H . 30243 1 1651 . 2 2 20 20 ALA HA H 1 4.267 0.003 . 1 . . . . B 538 ALA HA . 30243 1 1652 . 2 2 20 20 ALA HB1 H 1 1.357 0.007 . 1 . . . . B 538 ALA HB1 . 30243 1 1653 . 2 2 20 20 ALA HB2 H 1 1.357 0.007 . 1 . . . . B 538 ALA HB2 . 30243 1 1654 . 2 2 20 20 ALA HB3 H 1 1.357 0.007 . 1 . . . . B 538 ALA HB3 . 30243 1 1655 . 2 2 20 20 ALA C C 13 177.758 0.000 . 1 . . . . B 538 ALA C . 30243 1 1656 . 2 2 20 20 ALA CA C 13 52.933 0.000 . 1 . . . . B 538 ALA CA . 30243 1 1657 . 2 2 20 20 ALA CB C 13 19.347 0.000 . 1 . . . . B 538 ALA CB . 30243 1 1658 . 2 2 20 20 ALA N N 15 126.303 0.000 . 1 . . . . B 538 ALA N . 30243 1 1659 . 2 2 21 21 ASP H H 1 8.101 0.000 . 1 . . . . B 539 ASP H . 30243 1 1660 . 2 2 21 21 ASP HA H 1 4.522 0.005 . 1 . . . . B 539 ASP HA . 30243 1 1661 . 2 2 21 21 ASP HB2 H 1 2.697 0.000 . 2 . . . . B 539 ASP HB2 . 30243 1 1662 . 2 2 21 21 ASP HB3 H 1 2.599 0.002 . 2 . . . . B 539 ASP HB3 . 30243 1 1663 . 2 2 21 21 ASP C C 13 176.705 0.000 . 1 . . . . B 539 ASP C . 30243 1 1664 . 2 2 21 21 ASP CA C 13 54.870 0.000 . 1 . . . . B 539 ASP CA . 30243 1 1665 . 2 2 21 21 ASP CB C 13 41.184 0.004 . 1 . . . . B 539 ASP CB . 30243 1 1666 . 2 2 21 21 ASP N N 15 118.615 0.000 . 1 . . . . B 539 ASP N . 30243 1 1667 . 2 2 22 22 MET H H 1 8.044 0.000 . 1 . . . . B 540 MET H . 30243 1 1668 . 2 2 22 22 MET HA H 1 4.304 0.000 . 1 . . . . B 540 MET HA . 30243 1 1669 . 2 2 22 22 MET HB2 H 1 1.954 0.000 . 1 . . . . B 540 MET HB2 . 30243 1 1670 . 2 2 22 22 MET HB3 H 1 1.954 0.000 . 1 . . . . B 540 MET HB3 . 30243 1 1671 . 2 2 22 22 MET HG2 H 1 2.426 0.000 . 2 . . . . B 540 MET HG2 . 30243 1 1672 . 2 2 22 22 MET HG3 H 1 2.484 0.000 . 2 . . . . B 540 MET HG3 . 30243 1 1673 . 2 2 22 22 MET HE1 H 1 2.016 0.001 . 1 . . . . B 540 MET HE1 . 30243 1 1674 . 2 2 22 22 MET HE2 H 1 2.016 0.001 . 1 . . . . B 540 MET HE2 . 30243 1 1675 . 2 2 22 22 MET HE3 H 1 2.016 0.001 . 1 . . . . B 540 MET HE3 . 30243 1 1676 . 2 2 22 22 MET C C 13 176.024 0.000 . 1 . . . . B 540 MET C . 30243 1 1677 . 2 2 22 22 MET CA C 13 56.032 0.000 . 1 . . . . B 540 MET CA . 30243 1 1678 . 2 2 22 22 MET CB C 13 33.033 0.000 . 1 . . . . B 540 MET CB . 30243 1 1679 . 2 2 22 22 MET CG C 13 32.115 0.001 . 1 . . . . B 540 MET CG . 30243 1 1680 . 2 2 22 22 MET CE C 13 17.167 0.025 . 1 . . . . B 540 MET CE . 30243 1 1681 . 2 2 22 22 MET N N 15 119.677 0.000 . 1 . . . . B 540 MET N . 30243 1 1682 . 2 2 23 23 ASP H H 1 8.208 0.000 . 1 . . . . B 541 ASP H . 30243 1 1683 . 2 2 23 23 ASP HA H 1 4.533 0.000 . 1 . . . . B 541 ASP HA . 30243 1 1684 . 2 2 23 23 ASP HB2 H 1 2.584 0.002 . 2 . . . . B 541 ASP HB2 . 30243 1 1685 . 2 2 23 23 ASP HB3 H 1 2.656 0.001 . 2 . . . . B 541 ASP HB3 . 30243 1 1686 . 2 2 23 23 ASP C C 13 176.677 0.000 . 1 . . . . B 541 ASP C . 30243 1 1687 . 2 2 23 23 ASP CA C 13 54.326 0.000 . 1 . . . . B 541 ASP CA . 30243 1 1688 . 2 2 23 23 ASP CB C 13 41.093 0.001 . 1 . . . . B 541 ASP CB . 30243 1 1689 . 2 2 23 23 ASP N N 15 120.848 0.000 . 1 . . . . B 541 ASP N . 30243 1 1690 . 2 2 24 24 PHE H H 1 8.239 0.000 . 1 . . . . B 542 PHE H . 30243 1 1691 . 2 2 24 24 PHE HA H 1 4.446 0.004 . 1 . . . . B 542 PHE HA . 30243 1 1692 . 2 2 24 24 PHE HB2 H 1 3.026 0.010 . 2 . . . . B 542 PHE HB2 . 30243 1 1693 . 2 2 24 24 PHE HB3 H 1 3.203 0.006 . 2 . . . . B 542 PHE HB3 . 30243 1 1694 . 2 2 24 24 PHE HD1 H 1 7.193 0.000 . 3 . . . . B 542 PHE HD1 . 30243 1 1695 . 2 2 24 24 PHE HD2 H 1 7.193 0.000 . 3 . . . . B 542 PHE HD2 . 30243 1 1696 . 2 2 24 24 PHE HE1 H 1 7.277 0.014 . 3 . . . . B 542 PHE HE1 . 30243 1 1697 . 2 2 24 24 PHE HE2 H 1 7.277 0.014 . 3 . . . . B 542 PHE HE2 . 30243 1 1698 . 2 2 24 24 PHE C C 13 176.620 0.000 . 1 . . . . B 542 PHE C . 30243 1 1699 . 2 2 24 24 PHE CA C 13 58.856 0.000 . 1 . . . . B 542 PHE CA . 30243 1 1700 . 2 2 24 24 PHE CB C 13 39.091 0.003 . 1 . . . . B 542 PHE CB . 30243 1 1701 . 2 2 24 24 PHE CD1 C 13 131.360 0.000 . 3 . . . . B 542 PHE CD1 . 30243 1 1702 . 2 2 24 24 PHE CD2 C 13 131.360 0.000 . 3 . . . . B 542 PHE CD2 . 30243 1 1703 . 2 2 24 24 PHE N N 15 121.509 0.000 . 1 . . . . B 542 PHE N . 30243 1 1704 . 2 2 25 25 SER H H 1 8.261 0.000 . 1 . . . . B 543 SER H . 30243 1 1705 . 2 2 25 25 SER HA H 1 4.229 0.000 . 1 . . . . B 543 SER HA . 30243 1 1706 . 2 2 25 25 SER HB2 H 1 3.901 0.000 . 2 . . . . B 543 SER HB2 . 30243 1 1707 . 2 2 25 25 SER HB3 H 1 3.859 0.000 . 2 . . . . B 543 SER HB3 . 30243 1 1708 . 2 2 25 25 SER C C 13 175.317 0.000 . 1 . . . . B 543 SER C . 30243 1 1709 . 2 2 25 25 SER CA C 13 60.022 0.000 . 1 . . . . B 543 SER CA . 30243 1 1710 . 2 2 25 25 SER CB C 13 63.270 0.010 . 1 . . . . B 543 SER CB . 30243 1 1711 . 2 2 25 25 SER N N 15 116.108 0.000 . 1 . . . . B 543 SER N . 30243 1 1712 . 2 2 26 26 ALA H H 1 8.082 0.000 . 1 . . . . B 544 ALA H . 30243 1 1713 . 2 2 26 26 ALA HA H 1 4.263 0.000 . 1 . . . . B 544 ALA HA . 30243 1 1714 . 2 2 26 26 ALA HB1 H 1 1.411 0.000 . 1 . . . . B 544 ALA HB1 . 30243 1 1715 . 2 2 26 26 ALA HB2 H 1 1.411 0.000 . 1 . . . . B 544 ALA HB2 . 30243 1 1716 . 2 2 26 26 ALA HB3 H 1 1.411 0.000 . 1 . . . . B 544 ALA HB3 . 30243 1 1717 . 2 2 26 26 ALA C C 13 178.469 0.000 . 1 . . . . B 544 ALA C . 30243 1 1718 . 2 2 26 26 ALA CA C 13 53.246 0.000 . 1 . . . . B 544 ALA CA . 30243 1 1719 . 2 2 26 26 ALA CB C 13 18.882 0.000 . 1 . . . . B 544 ALA CB . 30243 1 1720 . 2 2 26 26 ALA N N 15 125.073 0.000 . 1 . . . . B 544 ALA N . 30243 1 1721 . 2 2 27 27 LEU H H 1 7.857 0.001 . 1 . . . . B 545 LEU H . 30243 1 1722 . 2 2 27 27 LEU HA H 1 4.243 0.000 . 1 . . . . B 545 LEU HA . 30243 1 1723 . 2 2 27 27 LEU HB2 H 1 1.662 0.000 . 2 . . . . B 545 LEU HB2 . 30243 1 1724 . 2 2 27 27 LEU HB3 H 1 1.569 0.000 . 2 . . . . B 545 LEU HB3 . 30243 1 1725 . 2 2 27 27 LEU HG H 1 1.635 0.006 . 1 . . . . B 545 LEU HG . 30243 1 1726 . 2 2 27 27 LEU HD11 H 1 0.875 0.007 . 2 . . . . B 545 LEU HD11 . 30243 1 1727 . 2 2 27 27 LEU HD12 H 1 0.875 0.007 . 2 . . . . B 545 LEU HD12 . 30243 1 1728 . 2 2 27 27 LEU HD13 H 1 0.875 0.007 . 2 . . . . B 545 LEU HD13 . 30243 1 1729 . 2 2 27 27 LEU HD21 H 1 0.856 0.006 . 2 . . . . B 545 LEU HD21 . 30243 1 1730 . 2 2 27 27 LEU HD22 H 1 0.856 0.006 . 2 . . . . B 545 LEU HD22 . 30243 1 1731 . 2 2 27 27 LEU HD23 H 1 0.856 0.006 . 2 . . . . B 545 LEU HD23 . 30243 1 1732 . 2 2 27 27 LEU C C 13 177.944 0.000 . 1 . . . . B 545 LEU C . 30243 1 1733 . 2 2 27 27 LEU CA C 13 55.808 0.000 . 1 . . . . B 545 LEU CA . 30243 1 1734 . 2 2 27 27 LEU CB C 13 42.197 0.006 . 1 . . . . B 545 LEU CB . 30243 1 1735 . 2 2 27 27 LEU CG C 13 27.117 0.000 . 1 . . . . B 545 LEU CG . 30243 1 1736 . 2 2 27 27 LEU CD1 C 13 25.098 0.000 . 2 . . . . B 545 LEU CD1 . 30243 1 1737 . 2 2 27 27 LEU CD2 C 13 23.686 0.000 . 2 . . . . B 545 LEU CD2 . 30243 1 1738 . 2 2 27 27 LEU N N 15 119.451 0.014 . 1 . . . . B 545 LEU N . 30243 1 1739 . 2 2 28 28 LEU H H 1 7.897 0.000 . 1 . . . . B 546 LEU H . 30243 1 1740 . 2 2 28 28 LEU HA H 1 4.267 0.000 . 1 . . . . B 546 LEU HA . 30243 1 1741 . 2 2 28 28 LEU HB2 H 1 1.662 0.000 . 2 . . . . B 546 LEU HB2 . 30243 1 1742 . 2 2 28 28 LEU HB3 H 1 1.570 0.000 . 2 . . . . B 546 LEU HB3 . 30243 1 1743 . 2 2 28 28 LEU HG H 1 1.628 0.000 . 1 . . . . B 546 LEU HG . 30243 1 1744 . 2 2 28 28 LEU HD11 H 1 0.878 0.007 . 2 . . . . B 546 LEU HD11 . 30243 1 1745 . 2 2 28 28 LEU HD12 H 1 0.878 0.007 . 2 . . . . B 546 LEU HD12 . 30243 1 1746 . 2 2 28 28 LEU HD13 H 1 0.878 0.007 . 2 . . . . B 546 LEU HD13 . 30243 1 1747 . 2 2 28 28 LEU HD21 H 1 0.846 0.005 . 2 . . . . B 546 LEU HD21 . 30243 1 1748 . 2 2 28 28 LEU HD22 H 1 0.846 0.005 . 2 . . . . B 546 LEU HD22 . 30243 1 1749 . 2 2 28 28 LEU HD23 H 1 0.846 0.005 . 2 . . . . B 546 LEU HD23 . 30243 1 1750 . 2 2 28 28 LEU C C 13 177.728 0.000 . 1 . . . . B 546 LEU C . 30243 1 1751 . 2 2 28 28 LEU CA C 13 55.561 0.000 . 1 . . . . B 546 LEU CA . 30243 1 1752 . 2 2 28 28 LEU CB C 13 42.222 0.002 . 1 . . . . B 546 LEU CB . 30243 1 1753 . 2 2 28 28 LEU CG C 13 27.110 0.000 . 1 . . . . B 546 LEU CG . 30243 1 1754 . 2 2 28 28 LEU CD1 C 13 25.124 0.000 . 2 . . . . B 546 LEU CD1 . 30243 1 1755 . 2 2 28 28 LEU CD2 C 13 23.711 0.000 . 2 . . . . B 546 LEU CD2 . 30243 1 1756 . 2 2 28 28 LEU N N 15 120.507 0.000 . 1 . . . . B 546 LEU N . 30243 1 1757 . 2 2 29 29 SER H H 1 8.002 0.000 . 1 . . . . B 547 SER H . 30243 1 1758 . 2 2 29 29 SER HA H 1 4.408 0.000 . 1 . . . . B 547 SER HA . 30243 1 1759 . 2 2 29 29 SER HB2 H 1 3.872 0.000 . 1 . . . . B 547 SER HB2 . 30243 1 1760 . 2 2 29 29 SER HB3 H 1 3.872 0.000 . 1 . . . . B 547 SER HB3 . 30243 1 1761 . 2 2 29 29 SER C C 13 174.587 0.000 . 1 . . . . B 547 SER C . 30243 1 1762 . 2 2 29 29 SER CA C 13 58.521 0.000 . 1 . . . . B 547 SER CA . 30243 1 1763 . 2 2 29 29 SER CB C 13 63.417 0.000 . 1 . . . . B 547 SER CB . 30243 1 1764 . 2 2 29 29 SER N N 15 114.914 0.001 . 1 . . . . B 547 SER N . 30243 1 1765 . 2 2 30 30 GLN H H 1 8.172 0.000 . 1 . . . . B 548 GLN H . 30243 1 1766 . 2 2 30 30 GLN HA H 1 4.384 0.000 . 1 . . . . B 548 GLN HA . 30243 1 1767 . 2 2 30 30 GLN HB2 H 1 2.012 0.000 . 2 . . . . B 548 GLN HB2 . 30243 1 1768 . 2 2 30 30 GLN HB3 H 1 2.144 0.000 . 2 . . . . B 548 GLN HB3 . 30243 1 1769 . 2 2 30 30 GLN HG2 H 1 2.361 0.000 . 1 . . . . B 548 GLN HG2 . 30243 1 1770 . 2 2 30 30 GLN HG3 H 1 2.361 0.000 . 1 . . . . B 548 GLN HG3 . 30243 1 1771 . 2 2 30 30 GLN HE21 H 1 6.826 0.000 . 1 . . . . B 548 GLN HE21 . 30243 1 1772 . 2 2 30 30 GLN HE22 H 1 7.481 0.000 . 1 . . . . B 548 GLN HE22 . 30243 1 1773 . 2 2 30 30 GLN C C 13 175.946 0.000 . 1 . . . . B 548 GLN C . 30243 1 1774 . 2 2 30 30 GLN CA C 13 55.833 0.000 . 1 . . . . B 548 GLN CA . 30243 1 1775 . 2 2 30 30 GLN CB C 13 29.471 0.001 . 1 . . . . B 548 GLN CB . 30243 1 1776 . 2 2 30 30 GLN CG C 13 33.861 0.000 . 1 . . . . B 548 GLN CG . 30243 1 1777 . 2 2 30 30 GLN CD C 13 180.476 0.000 . 1 . . . . B 548 GLN CD . 30243 1 1778 . 2 2 30 30 GLN N N 15 121.506 0.000 . 1 . . . . B 548 GLN N . 30243 1 1779 . 2 2 30 30 GLN NE2 N 15 112.147 0.000 . 1 . . . . B 548 GLN NE2 . 30243 1 1780 . 2 2 31 31 ILE H H 1 8.063 0.000 . 1 . . . . B 549 ILE H . 30243 1 1781 . 2 2 31 31 ILE HA H 1 4.244 0.000 . 1 . . . . B 549 ILE HA . 30243 1 1782 . 2 2 31 31 ILE HB H 1 1.900 0.000 . 1 . . . . B 549 ILE HB . 30243 1 1783 . 2 2 31 31 ILE HG12 H 1 1.200 0.000 . 2 . . . . B 549 ILE HG12 . 30243 1 1784 . 2 2 31 31 ILE HG13 H 1 1.474 0.000 . 2 . . . . B 549 ILE HG13 . 30243 1 1785 . 2 2 31 31 ILE HG21 H 1 0.923 0.000 . 1 . . . . B 549 ILE HG21 . 30243 1 1786 . 2 2 31 31 ILE HG22 H 1 0.923 0.000 . 1 . . . . B 549 ILE HG22 . 30243 1 1787 . 2 2 31 31 ILE HG23 H 1 0.923 0.000 . 1 . . . . B 549 ILE HG23 . 30243 1 1788 . 2 2 31 31 ILE HD11 H 1 0.850 0.000 . 1 . . . . B 549 ILE HD11 . 30243 1 1789 . 2 2 31 31 ILE HD12 H 1 0.850 0.000 . 1 . . . . B 549 ILE HD12 . 30243 1 1790 . 2 2 31 31 ILE HD13 H 1 0.850 0.000 . 1 . . . . B 549 ILE HD13 . 30243 1 1791 . 2 2 31 31 ILE C C 13 176.206 0.000 . 1 . . . . B 549 ILE C . 30243 1 1792 . 2 2 31 31 ILE CA C 13 61.117 0.000 . 1 . . . . B 549 ILE CA . 30243 1 1793 . 2 2 31 31 ILE CB C 13 38.847 0.000 . 1 . . . . B 549 ILE CB . 30243 1 1794 . 2 2 31 31 ILE CG1 C 13 27.283 0.001 . 1 . . . . B 549 ILE CG1 . 30243 1 1795 . 2 2 31 31 ILE CG2 C 13 17.648 0.000 . 1 . . . . B 549 ILE CG2 . 30243 1 1796 . 2 2 31 31 ILE CD1 C 13 13.176 0.000 . 1 . . . . B 549 ILE CD1 . 30243 1 1797 . 2 2 31 31 ILE N N 15 121.116 0.000 . 1 . . . . B 549 ILE N . 30243 1 1798 . 2 2 32 32 SER H H 1 8.321 0.000 . 1 . . . . B 550 SER H . 30243 1 1799 . 2 2 32 32 SER HA H 1 4.549 0.000 . 1 . . . . B 550 SER HA . 30243 1 1800 . 2 2 32 32 SER HB2 H 1 3.891 0.000 . 2 . . . . B 550 SER HB2 . 30243 1 1801 . 2 2 32 32 SER HB3 H 1 3.878 0.000 . 2 . . . . B 550 SER HB3 . 30243 1 1802 . 2 2 32 32 SER C C 13 173.678 0.000 . 1 . . . . B 550 SER C . 30243 1 1803 . 2 2 32 32 SER CA C 13 58.070 0.000 . 1 . . . . B 550 SER CA . 30243 1 1804 . 2 2 32 32 SER CB C 13 63.962 0.000 . 1 . . . . B 550 SER CB . 30243 1 1805 . 2 2 32 32 SER N N 15 120.140 0.000 . 1 . . . . B 550 SER N . 30243 1 1806 . 2 2 33 33 SER H H 1 8.001 0.000 . 1 . . . . B 551 SER H . 30243 1 1807 . 2 2 33 33 SER HA H 1 4.285 0.000 . 1 . . . . B 551 SER HA . 30243 1 1808 . 2 2 33 33 SER HB2 H 1 3.848 0.000 . 1 . . . . B 551 SER HB2 . 30243 1 1809 . 2 2 33 33 SER HB3 H 1 3.848 0.000 . 1 . . . . B 551 SER HB3 . 30243 1 1810 . 2 2 33 33 SER CA C 13 59.922 0.000 . 1 . . . . B 551 SER CA . 30243 1 1811 . 2 2 33 33 SER CB C 13 64.739 0.000 . 1 . . . . B 551 SER CB . 30243 1 1812 . 2 2 33 33 SER N N 15 123.538 0.000 . 1 . . . . B 551 SER N . 30243 1 stop_ save_