data_6527 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6527 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'Investigation of km23' 'Structure analysis' 'The data from the entries that make up this study were used to determine the structure of of km23' 6527 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'km23 dimer nmr structure' 6527 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . none . . 6527 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6527 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for km23 dimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-01 _Entry.Accession_date 2005-03-01 _Entry.Last_release_date 2005-11-01 _Entry.Original_release_date 2005-11-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Udayar Ilangovan . . . 6527 2 Wei Ding . . . 6527 3 Jay Groppe . C. . 6527 4 James Trbovich . A. . 6527 5 Jorge Zuniga . . . 6527 6 Borries Demeler . . . 6527 7 Kathleen Mulder . . . 6527 8 Andrew Hinck . P. . 6527 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Univ. of Texas Health Science Centere at San Antonio' . 6527 . . 'Penn State College of Medicine, Hershey' . 6527 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6527 coupling_constants 1 6527 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 6527 '15N chemical shifts' 100 6527 '1H chemical shifts' 576 6527 'coupling constants' 65 6527 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-01 2005-03-01 original author . 6527 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1Z09 'BMRB Entry Tracking System' 6527 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6527 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16083906 _Citation.Full_citation . _Citation.Title 'Structure and Dynamics of the Homodimeric Dynein Light Chain km23.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 352 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 338 _Citation.Page_last 354 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Udayar Ilangovan . . . 6527 1 2 Wei Ding . . . 6527 1 3 Yan Zhong . . . 6527 1 4 Christina Wilson . L. . 6527 1 5 Jay Groppe . C. . 6527 1 6 James Trbovich . T. . 6527 1 7 Jorge Zuniga . . . 6527 1 8 Borries Demeler . . . 6527 1 9 Qian Tang . . . 6527 1 10 Guofeng Gao . . . 6527 1 11 Kathleen Mulder . M. . 6527 1 12 Andrew Hinck . P. . 6527 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Km23 structure' 6527 1 NMR 6527 1 Relaxation 6527 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6527 _Assembly.ID 1 _Assembly.Name 'Km23 homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'Km23 homodimer unit one' 1 $Homedimeric_LC7_Dynein_Light_Chain_Km23 . . no native no no 1 . . 6527 1 2 'Km23 homodimer unit two' 1 $Homedimeric_LC7_Dynein_Light_Chain_Km23 . . no native no no 1 . . 6527 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Homedimeric_LC7_Dynein_Light_Chain_Km23 _Entity.Sf_category entity _Entity.Sf_framecode Homedimeric_LC7_Dynein_Light_Chain_Km23 _Entity.Entry_ID 6527 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Homedimeric Km23' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAEVEETLKRLQSQKGVQGI IVVNTEGIPIKSTMDNPTTT QYASLMHSFILKARSTVRDI DPQNDLTFLRIRSKKNEIMV APDKDYFLIVIQNPTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15142 . Dynein_light_chain_2A,_cytoplasmic . . . . . 100.00 101 100.00 100.00 2.23e-62 . . . . 6527 1 2 no BMRB 6210 . hr2106_monomer . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 3 no PDB 1Z09 . "Solution Structure Of Km23" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 4 no PDB 2B95 . "Solution Nmr Structure Of Protein Dynein Light Chain 2a, Cytoplasmic; Northeast Structural Genomics Consortium Target Hr2106" . . . . . 100.00 106 100.00 100.00 5.84e-63 . . . . 6527 1 5 no PDB 2E8J . "Solution Structure Of Dynein Light Chain 2a" . . . . . 100.00 101 100.00 100.00 2.23e-62 . . . . 6527 1 6 no PDB 2HZ5 . "Crystal Structure Of Human Dynein Light Chain Dnlc2a" . . . . . 100.00 106 100.00 100.00 7.51e-63 . . . . 6527 1 7 no DBJ BAG57523 . "unnamed protein product [Homo sapiens]" . . . . . 87.50 121 98.81 98.81 6.98e-52 . . . . 6527 1 8 no GB AAF29126 . "HSPC162 [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 9 no GB AAF86646 . "bithoraxoid-like protein [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 10 no GB AAH02481 . "Dynein, light chain, roadblock-type 1 [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 11 no GB AAK18712 . "dynein-associated protein HKM23 [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 12 no GB AAK95342 . "BITH [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 13 no REF NP_001177109 . "dynein light chain roadblock-type 1 [Sus scrofa]" . . . . . 100.00 96 97.92 100.00 2.09e-61 . . . . 6527 1 14 no REF NP_001268656 . "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" . . . . . 65.63 63 100.00 100.00 1.31e-37 . . . . 6527 1 15 no REF NP_001268657 . "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" . . . . . 65.63 63 100.00 100.00 1.31e-37 . . . . 6527 1 16 no REF NP_001268658 . "dynein light chain roadblock-type 1 isoform c [Homo sapiens]" . . . . . 72.92 103 98.57 98.57 7.06e-42 . . . . 6527 1 17 no REF NP_054902 . "dynein light chain roadblock-type 1 isoform a [Homo sapiens]" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 1 18 no SP Q9NP97 . "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Bithoraxoid-like protein; Short=BLP; AltName: Full=Dynein ligh" . . . . . 100.00 96 100.00 100.00 1.14e-62 . . . . 6527 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 . MET . 6527 1 2 . ALA . 6527 1 3 . GLU . 6527 1 4 . VAL . 6527 1 5 . GLU . 6527 1 6 . GLU . 6527 1 7 . THR . 6527 1 8 . LEU . 6527 1 9 . LYS . 6527 1 10 . ARG . 6527 1 11 . LEU . 6527 1 12 . GLN . 6527 1 13 . SER . 6527 1 14 . GLN . 6527 1 15 . LYS . 6527 1 16 . GLY . 6527 1 17 . VAL . 6527 1 18 . GLN . 6527 1 19 . GLY . 6527 1 20 . ILE . 6527 1 21 . ILE . 6527 1 22 . VAL . 6527 1 23 . VAL . 6527 1 24 . ASN . 6527 1 25 . THR . 6527 1 26 . GLU . 6527 1 27 . GLY . 6527 1 28 . ILE . 6527 1 29 . PRO . 6527 1 30 . ILE . 6527 1 31 . LYS . 6527 1 32 . SER . 6527 1 33 . THR . 6527 1 34 . MET . 6527 1 35 . ASP . 6527 1 36 . ASN . 6527 1 37 . PRO . 6527 1 38 . THR . 6527 1 39 . THR . 6527 1 40 . THR . 6527 1 41 . GLN . 6527 1 42 . TYR . 6527 1 43 . ALA . 6527 1 44 . SER . 6527 1 45 . LEU . 6527 1 46 . MET . 6527 1 47 . HIS . 6527 1 48 . SER . 6527 1 49 . PHE . 6527 1 50 . ILE . 6527 1 51 . LEU . 6527 1 52 . LYS . 6527 1 53 . ALA . 6527 1 54 . ARG . 6527 1 55 . SER . 6527 1 56 . THR . 6527 1 57 . VAL . 6527 1 58 . ARG . 6527 1 59 . ASP . 6527 1 60 . ILE . 6527 1 61 . ASP . 6527 1 62 . PRO . 6527 1 63 . GLN . 6527 1 64 . ASN . 6527 1 65 . ASP . 6527 1 66 . LEU . 6527 1 67 . THR . 6527 1 68 . PHE . 6527 1 69 . LEU . 6527 1 70 . ARG . 6527 1 71 . ILE . 6527 1 72 . ARG . 6527 1 73 . SER . 6527 1 74 . LYS . 6527 1 75 . LYS . 6527 1 76 . ASN . 6527 1 77 . GLU . 6527 1 78 . ILE . 6527 1 79 . MET . 6527 1 80 . VAL . 6527 1 81 . ALA . 6527 1 82 . PRO . 6527 1 83 . ASP . 6527 1 84 . LYS . 6527 1 85 . ASP . 6527 1 86 . TYR . 6527 1 87 . PHE . 6527 1 88 . LEU . 6527 1 89 . ILE . 6527 1 90 . VAL . 6527 1 91 . ILE . 6527 1 92 . GLN . 6527 1 93 . ASN . 6527 1 94 . PRO . 6527 1 95 . THR . 6527 1 96 . GLU . 6527 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6527 1 . ALA 2 2 6527 1 . GLU 3 3 6527 1 . VAL 4 4 6527 1 . GLU 5 5 6527 1 . GLU 6 6 6527 1 . THR 7 7 6527 1 . LEU 8 8 6527 1 . LYS 9 9 6527 1 . ARG 10 10 6527 1 . LEU 11 11 6527 1 . GLN 12 12 6527 1 . SER 13 13 6527 1 . GLN 14 14 6527 1 . LYS 15 15 6527 1 . GLY 16 16 6527 1 . VAL 17 17 6527 1 . GLN 18 18 6527 1 . GLY 19 19 6527 1 . ILE 20 20 6527 1 . ILE 21 21 6527 1 . VAL 22 22 6527 1 . VAL 23 23 6527 1 . ASN 24 24 6527 1 . THR 25 25 6527 1 . GLU 26 26 6527 1 . GLY 27 27 6527 1 . ILE 28 28 6527 1 . PRO 29 29 6527 1 . ILE 30 30 6527 1 . LYS 31 31 6527 1 . SER 32 32 6527 1 . THR 33 33 6527 1 . MET 34 34 6527 1 . ASP 35 35 6527 1 . ASN 36 36 6527 1 . PRO 37 37 6527 1 . THR 38 38 6527 1 . THR 39 39 6527 1 . THR 40 40 6527 1 . GLN 41 41 6527 1 . TYR 42 42 6527 1 . ALA 43 43 6527 1 . SER 44 44 6527 1 . LEU 45 45 6527 1 . MET 46 46 6527 1 . HIS 47 47 6527 1 . SER 48 48 6527 1 . PHE 49 49 6527 1 . ILE 50 50 6527 1 . LEU 51 51 6527 1 . LYS 52 52 6527 1 . ALA 53 53 6527 1 . ARG 54 54 6527 1 . SER 55 55 6527 1 . THR 56 56 6527 1 . VAL 57 57 6527 1 . ARG 58 58 6527 1 . ASP 59 59 6527 1 . ILE 60 60 6527 1 . ASP 61 61 6527 1 . PRO 62 62 6527 1 . GLN 63 63 6527 1 . ASN 64 64 6527 1 . ASP 65 65 6527 1 . LEU 66 66 6527 1 . THR 67 67 6527 1 . PHE 68 68 6527 1 . LEU 69 69 6527 1 . ARG 70 70 6527 1 . ILE 71 71 6527 1 . ARG 72 72 6527 1 . SER 73 73 6527 1 . LYS 74 74 6527 1 . LYS 75 75 6527 1 . ASN 76 76 6527 1 . GLU 77 77 6527 1 . ILE 78 78 6527 1 . MET 79 79 6527 1 . VAL 80 80 6527 1 . ALA 81 81 6527 1 . PRO 82 82 6527 1 . ASP 83 83 6527 1 . LYS 84 84 6527 1 . ASP 85 85 6527 1 . TYR 86 86 6527 1 . PHE 87 87 6527 1 . LEU 88 88 6527 1 . ILE 89 89 6527 1 . VAL 90 90 6527 1 . ILE 91 91 6527 1 . GLN 92 92 6527 1 . ASN 93 93 6527 1 . PRO 94 94 6527 1 . THR 95 95 6527 1 . GLU 96 96 6527 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6527 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Homedimeric_LC7_Dynein_Light_Chain_Km23 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6527 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 6527 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Homedimeric_LC7_Dynein_Light_Chain_Km23 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6527 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6527 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Homedimeric Km23' [U-15N] . . . . . . 1 . . mM . . . . 6527 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6527 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Homedimeric Km23' '[U-13 C; U-15N]' . . . . . . 1 . . mM . . . . 6527 2 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6527 _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 pH 6.0 0.05 pH 6527 1 temperature 315 0.2 K 6527 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6527 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6527 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6527 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6527 _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 1H15N_HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6527 1 2 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6527 1 3 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6527 1 4 15N_NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6527 1 5 13C_NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6527 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6527 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6527 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6527 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6527 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6527 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_1 isotropic 6527 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.33 . . 2 . . . . 21 MET HA . 6527 1 2 . 1 1 1 1 MET HB2 H 1 2.00 . . 1 . . . . 21 MET HB2 . 6527 1 3 . 1 1 1 1 MET HB3 H 1 2.00 . . 1 . . . . 21 MET HB3 . 6527 1 4 . 1 1 1 1 MET HE1 H 1 1.94 . . 1 . . . . 21 MET HE1 . 6527 1 5 . 1 1 1 1 MET HE2 H 1 1.94 . . 1 . . . . 21 MET HE1 . 6527 1 6 . 1 1 1 1 MET HE3 H 1 1.94 . . 1 . . . . 21 MET HE1 . 6527 1 7 . 1 1 1 1 MET C C 13 177.19 . . 1 . . . . 21 MET C . 6527 1 8 . 1 1 1 1 MET CA C 13 56.60 . . 1 . . . . 21 MET CA . 6527 1 9 . 1 1 1 1 MET CB C 13 31.66 . . 1 . . . . 21 MET CB . 6527 1 10 . 1 1 1 1 MET CG C 13 32.26 . . 1 . . . . 21 MET CG . 6527 1 11 . 1 1 1 1 MET CE C 13 16.90 . . 1 . . . . 21 MET CE . 6527 1 12 . 1 1 2 2 ALA H H 1 8.12 . . 1 . . . . 22 ALA H . 6527 1 13 . 1 1 2 2 ALA HA H 1 4.14 . . 1 . . . . 22 ALA HA . 6527 1 14 . 1 1 2 2 ALA HB1 H 1 1.44 . . 1 . . . . 22 ALA HB1 . 6527 1 15 . 1 1 2 2 ALA HB2 H 1 1.44 . . 1 . . . . 22 ALA HB1 . 6527 1 16 . 1 1 2 2 ALA HB3 H 1 1.44 . . 1 . . . . 22 ALA HB1 . 6527 1 17 . 1 1 2 2 ALA C C 13 179.91 . . 1 . . . . 22 ALA C . 6527 1 18 . 1 1 2 2 ALA CA C 13 54.97 . . 1 . . . . 22 ALA CA . 6527 1 19 . 1 1 2 2 ALA CB C 13 18.39 . . 1 . . . . 22 ALA CB . 6527 1 20 . 1 1 2 2 ALA N N 15 122.93 . . 1 . . . . 22 ALA N . 6527 1 21 . 1 1 3 3 GLU H H 1 8.14 . . 1 . . . . 23 GLU H . 6527 1 22 . 1 1 3 3 GLU HA H 1 4.15 . . 1 . . . . 23 GLU HA . 6527 1 23 . 1 1 3 3 GLU HB2 H 1 2.13 . . 1 . . . . 23 GLU HB2 . 6527 1 24 . 1 1 3 3 GLU HB3 H 1 2.13 . . 1 . . . . 23 GLU HB3 . 6527 1 25 . 1 1 3 3 GLU HG2 H 1 2.35 . . 1 . . . . 23 GLU HG2 . 6527 1 26 . 1 1 3 3 GLU HG3 H 1 2.35 . . 1 . . . . 23 GLU HG3 . 6527 1 27 . 1 1 3 3 GLU C C 13 179.12 . . 1 . . . . 23 GLU C . 6527 1 28 . 1 1 3 3 GLU CA C 13 59.01 . . 1 . . . . 23 GLU CA . 6527 1 29 . 1 1 3 3 GLU CB C 13 29.33 . . 1 . . . . 23 GLU CB . 6527 1 30 . 1 1 3 3 GLU CG C 13 36.57 . . 1 . . . . 23 GLU CG . 6527 1 31 . 1 1 3 3 GLU N N 15 118.33 . . 1 . . . . 23 GLU N . 6527 1 32 . 1 1 4 4 VAL H H 1 7.80 . . 1 . . . . 24 VAL H . 6527 1 33 . 1 1 4 4 VAL HA H 1 3.67 . . 1 . . . . 24 VAL HA . 6527 1 34 . 1 1 4 4 VAL HB H 1 2.11 . . 2 . . . . 24 VAL HB . 6527 1 35 . 1 1 4 4 VAL HG11 H 1 0.69 . . 2 . . . . 24 VAL HG11 . 6527 1 36 . 1 1 4 4 VAL HG12 H 1 0.69 . . 2 . . . . 24 VAL HG11 . 6527 1 37 . 1 1 4 4 VAL HG13 H 1 0.69 . . 2 . . . . 24 VAL HG11 . 6527 1 38 . 1 1 4 4 VAL HG21 H 1 0.74 . . 2 . . . . 24 VAL HG21 . 6527 1 39 . 1 1 4 4 VAL HG22 H 1 0.74 . . 2 . . . . 24 VAL HG21 . 6527 1 40 . 1 1 4 4 VAL HG23 H 1 0.74 . . 2 . . . . 24 VAL HG21 . 6527 1 41 . 1 1 4 4 VAL C C 13 177.43 . . 1 . . . . 24 VAL C . 6527 1 42 . 1 1 4 4 VAL CA C 13 65.72 . . 1 . . . . 24 VAL CA . 6527 1 43 . 1 1 4 4 VAL CB C 13 31.59 . . 1 . . . . 24 VAL CB . 6527 1 44 . 1 1 4 4 VAL CG1 C 13 21.50 . . 2 . . . . 24 VAL CG1 . 6527 1 45 . 1 1 4 4 VAL CG2 C 13 22.55 . . 2 . . . . 24 VAL CG2 . 6527 1 46 . 1 1 4 4 VAL N N 15 120.64 . . 1 . . . . 24 VAL N . 6527 1 47 . 1 1 5 5 GLU H H 1 8.15 . . 1 . . . . 25 GLU H . 6527 1 48 . 1 1 5 5 GLU HA H 1 3.85 . . 1 . . . . 25 GLU HA . 6527 1 49 . 1 1 5 5 GLU HB2 H 1 2.08 . . 2 . . . . 25 GLU HB2 . 6527 1 50 . 1 1 5 5 GLU HB3 H 1 2.04 . . 2 . . . . 25 GLU HB3 . 6527 1 51 . 1 1 5 5 GLU HG2 H 1 2.32 . . 2 . . . . 25 GLU HG2 . 6527 1 52 . 1 1 5 5 GLU HG3 H 1 2.18 . . 2 . . . . 25 GLU HG3 . 6527 1 53 . 1 1 5 5 GLU C C 13 179.14 . . 1 . . . . 25 GLU C . 6527 1 54 . 1 1 5 5 GLU CA C 13 59.98 . . 1 . . . . 25 GLU CA . 6527 1 55 . 1 1 5 5 GLU CB C 13 29.24 . . 1 . . . . 25 GLU CB . 6527 1 56 . 1 1 5 5 GLU CG C 13 36.64 . . 1 . . . . 25 GLU CG . 6527 1 57 . 1 1 5 5 GLU N N 15 119.50 . . 1 . . . . 25 GLU N . 6527 1 58 . 1 1 6 6 GLU H H 1 7.86 . . 1 . . . . 26 GLU H . 6527 1 59 . 1 1 6 6 GLU HA H 1 4.04 . . 1 . . . . 26 GLU HA . 6527 1 60 . 1 1 6 6 GLU HB2 H 1 2.11 . . 1 . . . . 26 GLU HB2 . 6527 1 61 . 1 1 6 6 GLU HB3 H 1 2.11 . . 1 . . . . 26 GLU HB3 . 6527 1 62 . 1 1 6 6 GLU HG2 H 1 2.33 . . 1 . . . . 26 GLU HG2 . 6527 1 63 . 1 1 6 6 GLU HG3 H 1 2.33 . . 1 . . . . 26 GLU HG3 . 6527 1 64 . 1 1 6 6 GLU C C 13 179.07 . . 1 . . . . 26 GLU C . 6527 1 65 . 1 1 6 6 GLU CA C 13 59.37 . . 1 . . . . 26 GLU CA . 6527 1 66 . 1 1 6 6 GLU CB C 13 29.23 . . 1 . . . . 26 GLU CB . 6527 1 67 . 1 1 6 6 GLU CG C 13 35.94 . . 1 . . . . 26 GLU CG . 6527 1 68 . 1 1 6 6 GLU N N 15 119.23 . . 1 . . . . 26 GLU N . 6527 1 69 . 1 1 7 7 THR H H 1 7.98 . . 1 . . . . 27 THR H . 6527 1 70 . 1 1 7 7 THR HA H 1 3.85 . . 1 . . . . 27 THR HA . 6527 1 71 . 1 1 7 7 THR HB H 1 4.32 . . 2 . . . . 27 THR HB . 6527 1 72 . 1 1 7 7 THR HG21 H 1 1.17 . . 1 . . . . 27 THR HG21 . 6527 1 73 . 1 1 7 7 THR HG22 H 1 1.17 . . 1 . . . . 27 THR HG21 . 6527 1 74 . 1 1 7 7 THR HG23 H 1 1.17 . . 1 . . . . 27 THR HG21 . 6527 1 75 . 1 1 7 7 THR C C 13 175.96 . . 1 . . . . 27 THR C . 6527 1 76 . 1 1 7 7 THR CA C 13 66.90 . . 1 . . . . 27 THR CA . 6527 1 77 . 1 1 7 7 THR CB C 13 68.46 . . 1 . . . . 27 THR CB . 6527 1 78 . 1 1 7 7 THR CG2 C 13 22.01 . . 1 . . . . 27 THR CG2 . 6527 1 79 . 1 1 7 7 THR N N 15 118.65 . . 1 . . . . 27 THR N . 6527 1 80 . 1 1 8 8 LEU H H 1 8.27 . . 1 . . . . 28 LEU H . 6527 1 81 . 1 1 8 8 LEU HA H 1 3.77 . . 1 . . . . 28 LEU HA . 6527 1 82 . 1 1 8 8 LEU HB2 H 1 1.68 . . 2 . . . . 28 LEU HB2 . 6527 1 83 . 1 1 8 8 LEU HB3 H 1 1.58 . . 2 . . . . 28 LEU HB3 . 6527 1 84 . 1 1 8 8 LEU HG H 1 1.87 . . 2 . . . . 28 LEU HG . 6527 1 85 . 1 1 8 8 LEU HD11 H 1 0.69 . . 2 . . . . 28 LEU HD11 . 6527 1 86 . 1 1 8 8 LEU HD12 H 1 0.69 . . 2 . . . . 28 LEU HD11 . 6527 1 87 . 1 1 8 8 LEU HD13 H 1 0.69 . . 2 . . . . 28 LEU HD11 . 6527 1 88 . 1 1 8 8 LEU HD21 H 1 0.66 . . 2 . . . . 28 LEU HD21 . 6527 1 89 . 1 1 8 8 LEU HD22 H 1 0.66 . . 2 . . . . 28 LEU HD21 . 6527 1 90 . 1 1 8 8 LEU HD23 H 1 0.66 . . 2 . . . . 28 LEU HD21 . 6527 1 91 . 1 1 8 8 LEU C C 13 178.52 . . 1 . . . . 28 LEU C . 6527 1 92 . 1 1 8 8 LEU CA C 13 59.13 . . 1 . . . . 28 LEU CA . 6527 1 93 . 1 1 8 8 LEU CB C 13 41.31 . . 1 . . . . 28 LEU CB . 6527 1 94 . 1 1 8 8 LEU CG C 13 28.00 . . 1 . . . . 28 LEU CG . 6527 1 95 . 1 1 8 8 LEU CD1 C 13 25.25 . . 2 . . . . 28 LEU CD1 . 6527 1 96 . 1 1 8 8 LEU CD2 C 13 24.30 . . 2 . . . . 28 LEU CD2 . 6527 1 97 . 1 1 8 8 LEU N N 15 121.59 . . 1 . . . . 28 LEU N . 6527 1 98 . 1 1 9 9 LYS H H 1 7.76 . . 1 . . . . 29 LYS H . 6527 1 99 . 1 1 9 9 LYS HA H 1 3.98 . . 1 . . . . 29 LYS HA . 6527 1 100 . 1 1 9 9 LYS HB2 H 1 1.88 . . 1 . . . . 29 LYS HB2 . 6527 1 101 . 1 1 9 9 LYS HB3 H 1 1.88 . . 1 . . . . 29 LYS HB3 . 6527 1 102 . 1 1 9 9 LYS HG2 H 1 1.57 . . 2 . . . . 29 LYS HG2 . 6527 1 103 . 1 1 9 9 LYS HG3 H 1 1.40 . . 2 . . . . 29 LYS HG3 . 6527 1 104 . 1 1 9 9 LYS HD2 H 1 1.66 . . 1 . . . . 29 LYS HD2 . 6527 1 105 . 1 1 9 9 LYS HD3 H 1 1.66 . . 1 . . . . 29 LYS HD3 . 6527 1 106 . 1 1 9 9 LYS HE2 H 1 2.92 . . 1 . . . . 29 LYS HE2 . 6527 1 107 . 1 1 9 9 LYS HE3 H 1 2.92 . . 1 . . . . 29 LYS HE3 . 6527 1 108 . 1 1 9 9 LYS C C 13 179.36 . . 1 . . . . 29 LYS C . 6527 1 109 . 1 1 9 9 LYS CA C 13 59.55 . . 1 . . . . 29 LYS CA . 6527 1 110 . 1 1 9 9 LYS CB C 13 32.38 . . 1 . . . . 29 LYS CB . 6527 1 111 . 1 1 9 9 LYS CG C 13 25.23 . . 1 . . . . 29 LYS CG . 6527 1 112 . 1 1 9 9 LYS CD C 13 29.41 . . 1 . . . . 29 LYS CD . 6527 1 113 . 1 1 9 9 LYS CE C 13 42.10 . . 1 . . . . 29 LYS CE . 6527 1 114 . 1 1 9 9 LYS N N 15 118.08 . . 1 . . . . 29 LYS N . 6527 1 115 . 1 1 10 10 ARG H H 1 7.73 . . 1 . . . . 30 ARG H . 6527 1 116 . 1 1 10 10 ARG HA H 1 4.09 . . 1 . . . . 30 ARG HA . 6527 1 117 . 1 1 10 10 ARG HB2 H 1 1.95 . . 1 . . . . 30 ARG HB2 . 6527 1 118 . 1 1 10 10 ARG HB3 H 1 1.95 . . 1 . . . . 30 ARG HB3 . 6527 1 119 . 1 1 10 10 ARG HG2 H 1 1.75 . . 1 . . . . 30 ARG HG2 . 6527 1 120 . 1 1 10 10 ARG HG3 H 1 1.75 . . 1 . . . . 30 ARG HG3 . 6527 1 121 . 1 1 10 10 ARG HD2 H 1 3.21 . . 1 . . . . 30 ARG HD2 . 6527 1 122 . 1 1 10 10 ARG HD3 H 1 3.21 . . 1 . . . . 30 ARG HD3 . 6527 1 123 . 1 1 10 10 ARG C C 13 179.50 . . 1 . . . . 30 ARG C . 6527 1 124 . 1 1 10 10 ARG CA C 13 59.04 . . 1 . . . . 30 ARG CA . 6527 1 125 . 1 1 10 10 ARG CB C 13 30.22 . . 1 . . . . 30 ARG CB . 6527 1 126 . 1 1 10 10 ARG CG C 13 27.57 . . 1 . . . . 30 ARG CG . 6527 1 127 . 1 1 10 10 ARG CD C 13 43.47 . . 1 . . . . 30 ARG CD . 6527 1 128 . 1 1 10 10 ARG N N 15 118.85 . . 1 . . . . 30 ARG N . 6527 1 129 . 1 1 11 11 LEU H H 1 8.13 . . 1 . . . . 31 LEU H . 6527 1 130 . 1 1 11 11 LEU HA H 1 4.10 . . 1 . . . . 31 LEU HA . 6527 1 131 . 1 1 11 11 LEU HB2 H 1 1.85 . . 2 . . . . 31 LEU HB2 . 6527 1 132 . 1 1 11 11 LEU HB3 H 1 1.33 . . 2 . . . . 31 LEU HB3 . 6527 1 133 . 1 1 11 11 LEU HG H 1 1.57 . . 2 . . . . 31 LEU HG . 6527 1 134 . 1 1 11 11 LEU HD11 H 1 0.82 . . 2 . . . . 31 LEU HD11 . 6527 1 135 . 1 1 11 11 LEU HD12 H 1 0.82 . . 2 . . . . 31 LEU HD11 . 6527 1 136 . 1 1 11 11 LEU HD13 H 1 0.82 . . 2 . . . . 31 LEU HD11 . 6527 1 137 . 1 1 11 11 LEU HD21 H 1 0.84 . . 2 . . . . 31 LEU HD21 . 6527 1 138 . 1 1 11 11 LEU HD22 H 1 0.84 . . 2 . . . . 31 LEU HD21 . 6527 1 139 . 1 1 11 11 LEU HD23 H 1 0.84 . . 2 . . . . 31 LEU HD21 . 6527 1 140 . 1 1 11 11 LEU C C 13 178.74 . . 1 . . . . 31 LEU C . 6527 1 141 . 1 1 11 11 LEU CA C 13 57.41 . . 1 . . . . 31 LEU CA . 6527 1 142 . 1 1 11 11 LEU CB C 13 43.03 . . 1 . . . . 31 LEU CB . 6527 1 143 . 1 1 11 11 LEU CG C 13 26.63 . . 1 . . . . 31 LEU CG . 6527 1 144 . 1 1 11 11 LEU CD1 C 13 26.53 . . 2 . . . . 31 LEU CD1 . 6527 1 145 . 1 1 11 11 LEU CD2 C 13 22.79 . . 2 . . . . 31 LEU CD2 . 6527 1 146 . 1 1 11 11 LEU N N 15 119.88 . . 1 . . . . 31 LEU N . 6527 1 147 . 1 1 12 12 GLN H H 1 8.16 . . 1 . . . . 32 GLN H . 6527 1 148 . 1 1 12 12 GLN HA H 1 3.96 . . 1 . . . . 32 GLN HA . 6527 1 149 . 1 1 12 12 GLN HB2 H 1 2.09 . . 2 . . . . 32 GLN HB2 . 6527 1 150 . 1 1 12 12 GLN HB3 H 1 2.14 . . 2 . . . . 32 GLN HB3 . 6527 1 151 . 1 1 12 12 GLN HG2 H 1 2.39 . . 2 . . . . 32 GLN HG2 . 6527 1 152 . 1 1 12 12 GLN HG3 H 1 2.43 . . 2 . . . . 32 GLN HG3 . 6527 1 153 . 1 1 12 12 GLN HE21 H 1 7.21 . . 2 . . . . 32 GLN HE21 . 6527 1 154 . 1 1 12 12 GLN HE22 H 1 6.64 . . 2 . . . . 32 GLN HE22 . 6527 1 155 . 1 1 12 12 GLN C C 13 176.42 . . 1 . . . . 32 GLN C . 6527 1 156 . 1 1 12 12 GLN CA C 13 58.24 . . 1 . . . . 32 GLN CA . 6527 1 157 . 1 1 12 12 GLN CB C 13 28.98 . . 1 . . . . 32 GLN CB . 6527 1 158 . 1 1 12 12 GLN CG C 13 34.61 . . 1 . . . . 32 GLN CG . 6527 1 159 . 1 1 12 12 GLN N N 15 115.83 . . 1 . . . . 32 GLN N . 6527 1 160 . 1 1 12 12 GLN NE2 N 15 109.90 . . 2 . . . . 32 GLN NE2 . 6527 1 161 . 1 1 13 13 SER H H 1 7.36 . . 1 . . . . 33 SER H . 6527 1 162 . 1 1 13 13 SER HA H 1 4.46 . . 1 . . . . 33 SER HA . 6527 1 163 . 1 1 13 13 SER HB2 H 1 3.97 . . 1 . . . . 33 SER HB2 . 6527 1 164 . 1 1 13 13 SER HB3 H 1 3.97 . . 1 . . . . 33 SER HB3 . 6527 1 165 . 1 1 13 13 SER C C 13 174.28 . . 1 . . . . 33 SER C . 6527 1 166 . 1 1 13 13 SER CA C 13 58.56 . . 1 . . . . 33 SER CA . 6527 1 167 . 1 1 13 13 SER CB C 13 64.02 . . 1 . . . . 33 SER CB . 6527 1 168 . 1 1 13 13 SER N N 15 111.56 . . 1 . . . . 33 SER N . 6527 1 169 . 1 1 14 14 GLN H H 1 7.47 . . 1 . . . . 34 GLN H . 6527 1 170 . 1 1 14 14 GLN HA H 1 4.26 . . 1 . . . . 34 GLN HA . 6527 1 171 . 1 1 14 14 GLN HB2 H 1 2.12 . . 1 . . . . 34 GLN HB2 . 6527 1 172 . 1 1 14 14 GLN HB3 H 1 2.12 . . 1 . . . . 34 GLN HB3 . 6527 1 173 . 1 1 14 14 GLN HG2 H 1 2.40 . . 2 . . . . 34 GLN HG2 . 6527 1 174 . 1 1 14 14 GLN HG3 H 1 2.47 . . 2 . . . . 34 GLN HG3 . 6527 1 175 . 1 1 14 14 GLN HE21 H 1 7.27 . . 2 . . . . 34 GLN HE21 . 6527 1 176 . 1 1 14 14 GLN HE22 H 1 6.71 . . 2 . . . . 34 GLN HE22 . 6527 1 177 . 1 1 14 14 GLN C C 13 175.97 . . 1 . . . . 34 GLN C . 6527 1 178 . 1 1 14 14 GLN CA C 13 55.61 . . 1 . . . . 34 GLN CA . 6527 1 179 . 1 1 14 14 GLN CB C 13 29.18 . . 1 . . . . 34 GLN CB . 6527 1 180 . 1 1 14 14 GLN CG C 13 34.12 . . 1 . . . . 34 GLN CG . 6527 1 181 . 1 1 14 14 GLN N N 15 122.25 . . 1 . . . . 34 GLN N . 6527 1 182 . 1 1 14 14 GLN NE2 N 15 111.11 . . 2 . . . . 34 GLN NE2 . 6527 1 183 . 1 1 15 15 LYS H H 1 8.44 . . 1 . . . . 35 LYS H . 6527 1 184 . 1 1 15 15 LYS HA H 1 4.12 . . 1 . . . . 35 LYS HA . 6527 1 185 . 1 1 15 15 LYS HB2 H 1 1.79 . . 1 . . . . 35 LYS HB2 . 6527 1 186 . 1 1 15 15 LYS HB3 H 1 1.79 . . 1 . . . . 35 LYS HB3 . 6527 1 187 . 1 1 15 15 LYS HG2 H 1 1.44 . . 1 . . . . 35 LYS HG2 . 6527 1 188 . 1 1 15 15 LYS HG3 H 1 1.50 . . 1 . . . . 35 LYS HG3 . 6527 1 189 . 1 1 15 15 LYS HE2 H 1 2.99 . . 1 . . . . 35 LYS HE2 . 6527 1 190 . 1 1 15 15 LYS C C 13 177.76 . . 1 . . . . 35 LYS C . 6527 1 191 . 1 1 15 15 LYS CA C 13 57.77 . . 1 . . . . 35 LYS CA . 6527 1 192 . 1 1 15 15 LYS CB C 13 32.46 . . 1 . . . . 35 LYS CB . 6527 1 193 . 1 1 15 15 LYS CG C 13 24.78 . . 1 . . . . 35 LYS CG . 6527 1 194 . 1 1 15 15 LYS CD C 13 29.16 . . 1 . . . . 35 LYS CD . 6527 1 195 . 1 1 15 15 LYS CE C 13 42.18 . . 1 . . . . 35 LYS CE . 6527 1 196 . 1 1 15 15 LYS N N 15 124.66 . . 1 . . . . 35 LYS N . 6527 1 197 . 1 1 16 16 GLY H H 1 8.72 . . 1 . . . . 36 GLY H . 6527 1 198 . 1 1 16 16 GLY HA2 H 1 3.77 . . 2 . . . . 36 GLY HA2 . 6527 1 199 . 1 1 16 16 GLY HA3 H 1 4.25 . . 2 . . . . 36 GLY HA3 . 6527 1 200 . 1 1 16 16 GLY C C 13 174.53 . . 1 . . . . 36 GLY C . 6527 1 201 . 1 1 16 16 GLY CA C 13 45.79 . . 1 . . . . 36 GLY CA . 6527 1 202 . 1 1 16 16 GLY N N 15 111.42 . . 1 . . . . 36 GLY N . 6527 1 203 . 1 1 17 17 VAL H H 1 7.53 . . 1 . . . . 37 VAL H . 6527 1 204 . 1 1 17 17 VAL HA H 1 3.84 . . 1 . . . . 37 VAL HA . 6527 1 205 . 1 1 17 17 VAL HB H 1 2.16 . . 1 . . . . 37 VAL HB . 6527 1 206 . 1 1 17 17 VAL HG11 H 1 0.81 . . 2 . . . . 37 VAL HG11 . 6527 1 207 . 1 1 17 17 VAL HG12 H 1 0.81 . . 2 . . . . 37 VAL HG11 . 6527 1 208 . 1 1 17 17 VAL HG13 H 1 0.81 . . 2 . . . . 37 VAL HG11 . 6527 1 209 . 1 1 17 17 VAL HG21 H 1 0.91 . . 2 . . . . 37 VAL HG21 . 6527 1 210 . 1 1 17 17 VAL HG22 H 1 0.91 . . 2 . . . . 37 VAL HG21 . 6527 1 211 . 1 1 17 17 VAL HG23 H 1 0.91 . . 2 . . . . 37 VAL HG21 . 6527 1 212 . 1 1 17 17 VAL C C 13 176.18 . . 1 . . . . 37 VAL C . 6527 1 213 . 1 1 17 17 VAL CA C 13 64.80 . . 1 . . . . 37 VAL CA . 6527 1 214 . 1 1 17 17 VAL CB C 13 31.89 . . 1 . . . . 37 VAL CB . 6527 1 215 . 1 1 17 17 VAL CG1 C 13 21.80 . . 2 . . . . 37 VAL CG1 . 6527 1 216 . 1 1 17 17 VAL CG2 C 13 22.93 . . 2 . . . . 37 VAL CG2 . 6527 1 217 . 1 1 17 17 VAL N N 15 120.95 . . 1 . . . . 37 VAL N . 6527 1 218 . 1 1 18 18 GLN H H 1 9.47 . . 1 . . . . 38 GLN H . 6527 1 219 . 1 1 18 18 GLN HA H 1 4.39 . . 1 . . . . 38 GLN HA . 6527 1 220 . 1 1 18 18 GLN HB2 H 1 2.02 . . 1 . . . . 38 GLN HB2 . 6527 1 221 . 1 1 18 18 GLN HB3 H 1 1.64 . . 1 . . . . 38 GLN HB3 . 6527 1 222 . 1 1 18 18 GLN HG2 H 1 2.31 . . 1 . . . . 38 GLN HG2 . 6527 1 223 . 1 1 18 18 GLN HG3 H 1 2.31 . . 1 . . . . 38 GLN HG3 . 6527 1 224 . 1 1 18 18 GLN HE21 H 1 7.29 . . 2 . . . . 38 GLN HE21 . 6527 1 225 . 1 1 18 18 GLN HE22 H 1 6.67 . . 2 . . . . 38 GLN HE22 . 6527 1 226 . 1 1 18 18 GLN C C 13 176.79 . . 1 . . . . 38 GLN C . 6527 1 227 . 1 1 18 18 GLN CA C 13 56.28 . . 1 . . . . 38 GLN CA . 6527 1 228 . 1 1 18 18 GLN CB C 13 29.91 . . 1 . . . . 38 GLN CB . 6527 1 229 . 1 1 18 18 GLN CG C 13 33.55 . . 1 . . . . 38 GLN CG . 6527 1 230 . 1 1 18 18 GLN N N 15 128.15 . . 1 . . . . 38 GLN N . 6527 1 231 . 1 1 18 18 GLN NE2 N 15 109.70 . . 2 . . . . 38 GLN NE2 . 6527 1 232 . 1 1 19 19 GLY H H 1 7.73 . . 1 . . . . 39 GLY H . 6527 1 233 . 1 1 19 19 GLY HA2 H 1 3.98 . . 1 . . . . 39 GLY HA2 . 6527 1 234 . 1 1 19 19 GLY HA3 H 1 3.98 . . 1 . . . . 39 GLY HA3 . 6527 1 235 . 1 1 19 19 GLY C C 13 180.88 . . 1 . . . . 39 GLY C . 6527 1 236 . 1 1 19 19 GLY CA C 13 45.75 . . 1 . . . . 39 GLY CA . 6527 1 237 . 1 1 19 19 GLY N N 15 105.74 . . 1 . . . . 39 GLY N . 6527 1 238 . 1 1 20 20 ILE H H 1 8.09 . . 1 . . . . 40 ILE H . 6527 1 239 . 1 1 20 20 ILE HA H 1 5.13 . . 1 . . . . 40 ILE HA . 6527 1 240 . 1 1 20 20 ILE HB H 1 1.55 . . 2 . . . . 40 ILE HB . 6527 1 241 . 1 1 20 20 ILE HG12 H 1 1.03 . . 1 . . . . 40 ILE HG12 . 6527 1 242 . 1 1 20 20 ILE HG13 H 1 1.49 . . 1 . . . . 40 ILE HG13 . 6527 1 243 . 1 1 20 20 ILE HG21 H 1 0.78 . . 1 . . . . 40 ILE HG21 . 6527 1 244 . 1 1 20 20 ILE HG22 H 1 0.78 . . 1 . . . . 40 ILE HG21 . 6527 1 245 . 1 1 20 20 ILE HG23 H 1 0.78 . . 1 . . . . 40 ILE HG21 . 6527 1 246 . 1 1 20 20 ILE HD11 H 1 0.83 . . 1 . . . . 40 ILE HD11 . 6527 1 247 . 1 1 20 20 ILE HD12 H 1 0.83 . . 1 . . . . 40 ILE HD11 . 6527 1 248 . 1 1 20 20 ILE HD13 H 1 0.83 . . 1 . . . . 40 ILE HD11 . 6527 1 249 . 1 1 20 20 ILE C C 13 174.18 . . 1 . . . . 40 ILE C . 6527 1 250 . 1 1 20 20 ILE CA C 13 60.43 . . 1 . . . . 40 ILE CA . 6527 1 251 . 1 1 20 20 ILE CB C 13 42.66 . . 1 . . . . 40 ILE CB . 6527 1 252 . 1 1 20 20 ILE CG1 C 13 28.47 . . 1 . . . . 40 ILE CG1 . 6527 1 253 . 1 1 20 20 ILE CG2 C 13 19.44 . . 1 . . . . 40 ILE CG2 . 6527 1 254 . 1 1 20 20 ILE CD1 C 13 16.89 . . 1 . . . . 40 ILE CD1 . 6527 1 255 . 1 1 20 20 ILE N N 15 119.56 . . 1 . . . . 40 ILE N . 6527 1 256 . 1 1 21 21 ILE H H 1 9.24 . . 1 . . . . 41 ILE H . 6527 1 257 . 1 1 21 21 ILE HA H 1 4.64 . . 1 . . . . 41 ILE HA . 6527 1 258 . 1 1 21 21 ILE HB H 1 1.60 . . 1 . . . . 41 ILE HB . 6527 1 259 . 1 1 21 21 ILE HG12 H 1 1.47 . . 1 . . . . 41 ILE HG12 . 6527 1 260 . 1 1 21 21 ILE HG13 H 1 1.20 . . 2 . . . . 41 ILE HG13 . 6527 1 261 . 1 1 21 21 ILE HG21 H 1 0.93 . . 1 . . . . 41 ILE HG21 . 6527 1 262 . 1 1 21 21 ILE HG22 H 1 0.93 . . 1 . . . . 41 ILE HG21 . 6527 1 263 . 1 1 21 21 ILE HG23 H 1 0.93 . . 1 . . . . 41 ILE HG21 . 6527 1 264 . 1 1 21 21 ILE HD11 H 1 0.82 . . 1 . . . . 41 ILE HD11 . 6527 1 265 . 1 1 21 21 ILE HD12 H 1 0.82 . . 1 . . . . 41 ILE HD11 . 6527 1 266 . 1 1 21 21 ILE HD13 H 1 0.82 . . 1 . . . . 41 ILE HD11 . 6527 1 267 . 1 1 21 21 ILE C C 13 173.97 . . 1 . . . . 41 ILE C . 6527 1 268 . 1 1 21 21 ILE CA C 13 60.52 . . 1 . . . . 41 ILE CA . 6527 1 269 . 1 1 21 21 ILE CB C 13 42.95 . . 1 . . . . 41 ILE CB . 6527 1 270 . 1 1 21 21 ILE CG1 C 13 27.05 . . 1 . . . . 41 ILE CG1 . 6527 1 271 . 1 1 21 21 ILE CG2 C 13 18.85 . . 1 . . . . 41 ILE CG2 . 6527 1 272 . 1 1 21 21 ILE CD1 C 13 16.39 . . 1 . . . . 41 ILE CD1 . 6527 1 273 . 1 1 21 21 ILE N N 15 124.67 . . 1 . . . . 41 ILE N . 6527 1 274 . 1 1 22 22 VAL H H 1 8.91 . . 1 . . . . 42 VAL H . 6527 1 275 . 1 1 22 22 VAL HA H 1 4.95 . . 1 . . . . 42 VAL HA . 6527 1 276 . 1 1 22 22 VAL HB H 1 1.85 . . 1 . . . . 42 VAL HB . 6527 1 277 . 1 1 22 22 VAL HG11 H 1 0.63 . . 2 . . . . 42 VAL HG11 . 6527 1 278 . 1 1 22 22 VAL HG12 H 1 0.63 . . 2 . . . . 42 VAL HG11 . 6527 1 279 . 1 1 22 22 VAL HG13 H 1 0.63 . . 2 . . . . 42 VAL HG11 . 6527 1 280 . 1 1 22 22 VAL HG21 H 1 0.74 . . 2 . . . . 42 VAL HG21 . 6527 1 281 . 1 1 22 22 VAL HG22 H 1 0.74 . . 2 . . . . 42 VAL HG21 . 6527 1 282 . 1 1 22 22 VAL HG23 H 1 0.74 . . 2 . . . . 42 VAL HG21 . 6527 1 283 . 1 1 22 22 VAL C C 13 175.89 . . 1 . . . . 42 VAL C . 6527 1 284 . 1 1 22 22 VAL CA C 13 61.18 . . 1 . . . . 42 VAL CA . 6527 1 285 . 1 1 22 22 VAL CB C 13 33.03 . . 1 . . . . 42 VAL CB . 6527 1 286 . 1 1 22 22 VAL CG1 C 13 21.86 . . 2 . . . . 42 VAL CG1 . 6527 1 287 . 1 1 22 22 VAL CG2 C 13 21.18 . . 2 . . . . 42 VAL CG2 . 6527 1 288 . 1 1 22 22 VAL N N 15 126.36 . . 1 . . . . 42 VAL N . 6527 1 289 . 1 1 23 23 VAL H H 1 8.91 . . 1 . . . . 43 VAL H . 6527 1 290 . 1 1 23 23 VAL HA H 1 5.11 . . 1 . . . . 43 VAL HA . 6527 1 291 . 1 1 23 23 VAL HB H 1 1.60 . . 2 . . . . 43 VAL HB . 6527 1 292 . 1 1 23 23 VAL HG11 H 1 0.82 . . 2 . . . . 43 VAL HG11 . 6527 1 293 . 1 1 23 23 VAL HG12 H 1 0.82 . . 2 . . . . 43 VAL HG11 . 6527 1 294 . 1 1 23 23 VAL HG13 H 1 0.82 . . 2 . . . . 43 VAL HG11 . 6527 1 295 . 1 1 23 23 VAL HG21 H 1 0.93 . . 2 . . . . 43 VAL HG21 . 6527 1 296 . 1 1 23 23 VAL HG22 H 1 0.93 . . 2 . . . . 43 VAL HG21 . 6527 1 297 . 1 1 23 23 VAL HG23 H 1 0.93 . . 2 . . . . 43 VAL HG21 . 6527 1 298 . 1 1 23 23 VAL C C 13 175.03 . . 1 . . . . 43 VAL C . 6527 1 299 . 1 1 23 23 VAL CA C 13 58.84 . . 1 . . . . 43 VAL CA . 6527 1 300 . 1 1 23 23 VAL CB C 13 34.93 . . 1 . . . . 43 VAL CB . 6527 1 301 . 1 1 23 23 VAL CG1 C 13 21.71 . . 2 . . . . 43 VAL CG1 . 6527 1 302 . 1 1 23 23 VAL CG2 C 13 21.30 . . 2 . . . . 43 VAL CG2 . 6527 1 303 . 1 1 23 23 VAL N N 15 123.05 . . 1 . . . . 43 VAL N . 6527 1 304 . 1 1 24 24 ASN H H 1 8.38 . . 1 . . . . 44 ASN H . 6527 1 305 . 1 1 24 24 ASN HA H 1 5.13 . . 1 . . . . 44 ASN HA . 6527 1 306 . 1 1 24 24 ASN HB2 H 1 3.96 . . 2 . . . . 44 ASN HB2 . 6527 1 307 . 1 1 24 24 ASN HB3 H 1 2.83 . . 2 . . . . 44 ASN HB3 . 6527 1 308 . 1 1 24 24 ASN HD21 H 1 7.74 . . 2 . . . . 44 ASN HD21 . 6527 1 309 . 1 1 24 24 ASN HD22 H 1 6.62 . . 2 . . . . 44 ASN HD22 . 6527 1 310 . 1 1 24 24 ASN C C 13 176.73 . . 1 . . . . 44 ASN C . 6527 1 311 . 1 1 24 24 ASN CA C 13 51.53 . . 1 . . . . 44 ASN CA . 6527 1 312 . 1 1 24 24 ASN CB C 13 38.55 . . 1 . . . . 44 ASN CB . 6527 1 313 . 1 1 24 24 ASN N N 15 121.17 . . 1 . . . . 44 ASN N . 6527 1 314 . 1 1 24 24 ASN ND2 N 15 110.91 . . 2 . . . . 44 ASN ND2 . 6527 1 315 . 1 1 25 25 THR H H 1 7.89 . . 1 . . . . 45 THR H . 6527 1 316 . 1 1 25 25 THR HA H 1 4.07 . . 1 . . . . 45 THR HA . 6527 1 317 . 1 1 25 25 THR HB H 1 4.42 . . 2 . . . . 45 THR HB . 6527 1 318 . 1 1 25 25 THR HG21 H 1 1.26 . . 1 . . . . 45 THR HG21 . 6527 1 319 . 1 1 25 25 THR HG22 H 1 1.26 . . 1 . . . . 45 THR HG21 . 6527 1 320 . 1 1 25 25 THR HG23 H 1 1.26 . . 1 . . . . 45 THR HG21 . 6527 1 321 . 1 1 25 25 THR C C 13 175.64 . . 1 . . . . 45 THR C . 6527 1 322 . 1 1 25 25 THR CA C 13 65.58 . . 1 . . . . 45 THR CA . 6527 1 323 . 1 1 25 25 THR CB C 13 68.78 . . 1 . . . . 45 THR CB . 6527 1 324 . 1 1 25 25 THR CG2 C 13 22.21 . . 1 . . . . 45 THR CG2 . 6527 1 325 . 1 1 25 25 THR N N 15 108.80 . . 1 . . . . 45 THR N . 6527 1 326 . 1 1 26 26 GLU H H 1 7.52 . . 1 . . . . 46 GLU H . 6527 1 327 . 1 1 26 26 GLU HA H 1 4.40 . . 1 . . . . 46 GLU HA . 6527 1 328 . 1 1 26 26 GLU HB2 H 1 1.93 . . 1 . . . . 46 GLU HB2 . 6527 1 329 . 1 1 26 26 GLU HB3 H 1 1.93 . . 1 . . . . 46 GLU HB3 . 6527 1 330 . 1 1 26 26 GLU HG2 H 1 2.23 . . 1 . . . . 46 GLU HG2 . 6527 1 331 . 1 1 26 26 GLU HG3 H 1 2.23 . . 1 . . . . 46 GLU HG3 . 6527 1 332 . 1 1 26 26 GLU C C 13 175.96 . . 1 . . . . 46 GLU C . 6527 1 333 . 1 1 26 26 GLU CA C 13 56.19 . . 1 . . . . 46 GLU CA . 6527 1 334 . 1 1 26 26 GLU CB C 13 29.96 . . 1 . . . . 46 GLU CB . 6527 1 335 . 1 1 26 26 GLU CG C 13 36.90 . . 1 . . . . 46 GLU CG . 6527 1 336 . 1 1 26 26 GLU N N 15 118.84 . . 1 . . . . 46 GLU N . 6527 1 337 . 1 1 27 27 GLY H H 1 7.86 . . 1 . . . . 47 GLY H . 6527 1 338 . 1 1 27 27 GLY HA2 H 1 3.43 . . 2 . . . . 47 GLY HA2 . 6527 1 339 . 1 1 27 27 GLY HA3 H 1 2.89 . . 2 . . . . 47 GLY HA3 . 6527 1 340 . 1 1 27 27 GLY C C 13 172.78 . . 1 . . . . 47 GLY C . 6527 1 341 . 1 1 27 27 GLY CA C 13 44.93 . . 1 . . . . 47 GLY CA . 6527 1 342 . 1 1 27 27 GLY N N 15 107.50 . . 1 . . . . 47 GLY N . 6527 1 343 . 1 1 28 28 ILE H H 1 7.64 . . 1 . . . . 48 ILE H . 6527 1 344 . 1 1 28 28 ILE HA H 1 4.27 . . 1 . . . . 48 ILE HA . 6527 1 345 . 1 1 28 28 ILE HB H 1 1.80 . . 2 . . . . 48 ILE HB . 6527 1 346 . 1 1 28 28 ILE HG12 H 1 1.35 . . 2 . . . . 48 ILE HG12 . 6527 1 347 . 1 1 28 28 ILE HG13 H 1 1.19 . . 2 . . . . 48 ILE HG13 . 6527 1 348 . 1 1 28 28 ILE HG21 H 1 0.81 . . 1 . . . . 48 ILE HG21 . 6527 1 349 . 1 1 28 28 ILE HG22 H 1 0.81 . . 1 . . . . 48 ILE HG21 . 6527 1 350 . 1 1 28 28 ILE HG23 H 1 0.81 . . 1 . . . . 48 ILE HG21 . 6527 1 351 . 1 1 28 28 ILE HD11 H 1 0.74 . . 1 . . . . 48 ILE HD11 . 6527 1 352 . 1 1 28 28 ILE HD12 H 1 0.74 . . 1 . . . . 48 ILE HD11 . 6527 1 353 . 1 1 28 28 ILE HD13 H 1 0.74 . . 1 . . . . 48 ILE HD11 . 6527 1 354 . 1 1 28 28 ILE C C 13 175.16 . . 1 . . . . 48 ILE C . 6527 1 355 . 1 1 28 28 ILE CA C 13 57.21 . . 1 . . . . 48 ILE CA . 6527 1 356 . 1 1 28 28 ILE CB C 13 38.25 . . 1 . . . . 48 ILE CB . 6527 1 357 . 1 1 28 28 ILE CG1 C 13 27.53 . . 2 . . . . 48 ILE CG1 . 6527 1 358 . 1 1 28 28 ILE CG2 C 13 16.28 . . 2 . . . . 48 ILE CG2 . 6527 1 359 . 1 1 28 28 ILE CD1 C 13 11.45 . . 2 . . . . 48 ILE CD1 . 6527 1 360 . 1 1 28 28 ILE N N 15 122.15 . . 1 . . . . 48 ILE N . 6527 1 361 . 1 1 29 29 PRO HA H 1 4.78 . . 2 . . . . 49 PRO HA . 6527 1 362 . 1 1 29 29 PRO HB2 H 1 1.86 . . 2 . . . . 49 PRO HB2 . 6527 1 363 . 1 1 29 29 PRO HB3 H 1 1.63 . . 2 . . . . 49 PRO HB3 . 6527 1 364 . 1 1 29 29 PRO HG2 H 1 1.65 . . 2 . . . . 49 PRO HG2 . 6527 1 365 . 1 1 29 29 PRO HG3 H 1 2.22 . . 2 . . . . 49 PRO HG3 . 6527 1 366 . 1 1 29 29 PRO HD2 H 1 3.73 . . 2 . . . . 49 PRO HD2 . 6527 1 367 . 1 1 29 29 PRO HD3 H 1 3.90 . . 2 . . . . 49 PRO HD3 . 6527 1 368 . 1 1 29 29 PRO C C 13 175.91 . . 1 . . . . 49 PRO C . 6527 1 369 . 1 1 29 29 PRO CA C 13 62.33 . . 1 . . . . 49 PRO CA . 6527 1 370 . 1 1 29 29 PRO CB C 13 30.91 . . 1 . . . . 49 PRO CB . 6527 1 371 . 1 1 29 29 PRO CG C 13 27.82 . . 1 . . . . 49 PRO CG . 6527 1 372 . 1 1 29 29 PRO CD C 13 50.79 . . 1 . . . . 49 PRO CD . 6527 1 373 . 1 1 30 30 ILE H H 1 8.95 . . 1 . . . . 50 ILE H . 6527 1 374 . 1 1 30 30 ILE HA H 1 4.19 . . 1 . . . . 50 ILE HA . 6527 1 375 . 1 1 30 30 ILE HB H 1 1.70 . . 1 . . . . 50 ILE HB . 6527 1 376 . 1 1 30 30 ILE HG12 H 1 1.09 . . 2 . . . . 50 ILE HG12 . 6527 1 377 . 1 1 30 30 ILE HG13 H 1 1.20 . . 2 . . . . 50 ILE HG13 . 6527 1 378 . 1 1 30 30 ILE HG21 H 1 0.89 . . 1 . . . . 50 ILE HG21 . 6527 1 379 . 1 1 30 30 ILE HG22 H 1 0.89 . . 1 . . . . 50 ILE HG21 . 6527 1 380 . 1 1 30 30 ILE HG23 H 1 0.89 . . 1 . . . . 50 ILE HG21 . 6527 1 381 . 1 1 30 30 ILE HD11 H 1 0.66 . . 1 . . . . 50 ILE HD11 . 6527 1 382 . 1 1 30 30 ILE HD12 H 1 0.66 . . 1 . . . . 50 ILE HD11 . 6527 1 383 . 1 1 30 30 ILE HD13 H 1 0.66 . . 1 . . . . 50 ILE HD11 . 6527 1 384 . 1 1 30 30 ILE C C 13 176.22 . . 1 . . . . 50 ILE C . 6527 1 385 . 1 1 30 30 ILE CA C 13 61.39 . . 1 . . . . 50 ILE CA . 6527 1 386 . 1 1 30 30 ILE CB C 13 39.23 . . 1 . . . . 50 ILE CB . 6527 1 387 . 1 1 30 30 ILE CG1 C 13 26.64 . . 1 . . . . 50 ILE CG1 . 6527 1 388 . 1 1 30 30 ILE CG2 C 13 18.13 . . 1 . . . . 50 ILE CG2 . 6527 1 389 . 1 1 30 30 ILE CD1 C 13 12.89 . . 1 . . . . 50 ILE CD1 . 6527 1 390 . 1 1 30 30 ILE N N 15 123.38 . . 1 . . . . 50 ILE N . 6527 1 391 . 1 1 31 31 LYS H H 1 7.43 . . 1 . . . . 51 LYS H . 6527 1 392 . 1 1 31 31 LYS HA H 1 4.49 . . 1 . . . . 51 LYS HA . 6527 1 393 . 1 1 31 31 LYS HB2 H 1 1.49 . . 1 . . . . 51 LYS HB2 . 6527 1 394 . 1 1 31 31 LYS HB3 H 1 1.57 . . 1 . . . . 51 LYS HB3 . 6527 1 395 . 1 1 31 31 LYS HG2 H 1 1.26 . . 1 . . . . 51 LYS HG2 . 6527 1 396 . 1 1 31 31 LYS HG3 H 1 1.26 . . 1 . . . . 51 LYS HG3 . 6527 1 397 . 1 1 31 31 LYS HD2 H 1 1.63 . . 1 . . . . 51 LYS HD2 . 6527 1 398 . 1 1 31 31 LYS HD3 H 1 1.63 . . 1 . . . . 51 LYS HD3 . 6527 1 399 . 1 1 31 31 LYS HE2 H 1 2.84 . . 1 . . . . 51 LYS HE2 . 6527 1 400 . 1 1 31 31 LYS HE3 H 1 2.84 . . 1 . . . . 51 LYS HE3 . 6527 1 401 . 1 1 31 31 LYS C C 13 174.36 . . 1 . . . . 51 LYS C . 6527 1 402 . 1 1 31 31 LYS CA C 13 55.36 . . 1 . . . . 51 LYS CA . 6527 1 403 . 1 1 31 31 LYS CB C 13 36.43 . . 1 . . . . 51 LYS CB . 6527 1 404 . 1 1 31 31 LYS CG C 13 25.36 . . 1 . . . . 51 LYS CG . 6527 1 405 . 1 1 31 31 LYS CD C 13 28.70 . . 1 . . . . 51 LYS CD . 6527 1 406 . 1 1 31 31 LYS CE C 13 42.05 . . 1 . . . . 51 LYS CE . 6527 1 407 . 1 1 31 31 LYS N N 15 118.01 . . 1 . . . . 51 LYS N . 6527 1 408 . 1 1 32 32 SER H H 1 8.47 . . 1 . . . . 52 SER H . 6527 1 409 . 1 1 32 32 SER HA H 1 5.44 . . 1 . . . . 52 SER HA . 6527 1 410 . 1 1 32 32 SER HB2 H 1 3.86 . . 2 . . . . 52 SER HB2 . 6527 1 411 . 1 1 32 32 SER HB3 H 1 3.64 . . 2 . . . . 52 SER HB3 . 6527 1 412 . 1 1 32 32 SER C C 13 175.30 . . 1 . . . . 52 SER C . 6527 1 413 . 1 1 32 32 SER CA C 13 55.74 . . 1 . . . . 52 SER CA . 6527 1 414 . 1 1 32 32 SER CB C 13 65.09 . . 1 . . . . 52 SER CB . 6527 1 415 . 1 1 32 32 SER N N 15 115.82 . . 1 . . . . 52 SER N . 6527 1 416 . 1 1 33 33 THR H H 1 8.64 . . 1 . . . . 53 THR H . 6527 1 417 . 1 1 33 33 THR HA H 1 4.62 . . 1 . . . . 53 THR HA . 6527 1 418 . 1 1 33 33 THR HB H 1 4.71 . . 2 . . . . 53 THR HB . 6527 1 419 . 1 1 33 33 THR HG21 H 1 1.19 . . 1 . . . . 53 THR HG21 . 6527 1 420 . 1 1 33 33 THR HG22 H 1 1.19 . . 1 . . . . 53 THR HG21 . 6527 1 421 . 1 1 33 33 THR HG23 H 1 1.19 . . 1 . . . . 53 THR HG21 . 6527 1 422 . 1 1 33 33 THR C C 13 174.36 . . 1 . . . . 53 THR C . 6527 1 423 . 1 1 33 33 THR CA C 13 61.85 . . 1 . . . . 53 THR CA . 6527 1 424 . 1 1 33 33 THR CB C 13 68.78 . . 1 . . . . 53 THR CB . 6527 1 425 . 1 1 33 33 THR CG2 C 13 21.90 . . 1 . . . . 53 THR CG2 . 6527 1 426 . 1 1 33 33 THR N N 15 115.59 . . 1 . . . . 53 THR N . 6527 1 427 . 1 1 34 34 MET H H 1 8.51 . . 1 . . . . 54 MET H . 6527 1 428 . 1 1 34 34 MET HA H 1 4.75 . . 1 . . . . 54 MET HA . 6527 1 429 . 1 1 34 34 MET HB2 H 1 2.18 . . 1 . . . . 54 MET HB2 . 6527 1 430 . 1 1 34 34 MET HB3 H 1 1.74 . . 1 . . . . 54 MET HB3 . 6527 1 431 . 1 1 34 34 MET HG2 H 1 2.32 . . 1 . . . . 54 MET HG2 . 6527 1 432 . 1 1 34 34 MET HG3 H 1 2.32 . . 1 . . . . 54 MET HG3 . 6527 1 433 . 1 1 34 34 MET HE1 H 1 1.78 . . 1 . . . . 54 MET HE1 . 6527 1 434 . 1 1 34 34 MET HE2 H 1 1.78 . . 1 . . . . 54 MET HE1 . 6527 1 435 . 1 1 34 34 MET HE3 H 1 1.78 . . 1 . . . . 54 MET HE1 . 6527 1 436 . 1 1 34 34 MET C C 13 175.16 . . 1 . . . . 54 MET C . 6527 1 437 . 1 1 34 34 MET CA C 13 54.33 . . 1 . . . . 54 MET CA . 6527 1 438 . 1 1 34 34 MET CB C 13 35.59 . . 1 . . . . 54 MET CB . 6527 1 439 . 1 1 34 34 MET CG C 13 32.75 . . 1 . . . . 54 MET CG . 6527 1 440 . 1 1 34 34 MET CE C 13 17.66 . . 1 . . . . 54 MET CE . 6527 1 441 . 1 1 34 34 MET N N 15 121.51 . . 1 . . . . 54 MET N . 6527 1 442 . 1 1 35 35 ASP H H 1 8.41 . . 1 . . . . 55 ASP H . 6527 1 443 . 1 1 35 35 ASP HA H 1 4.48 . . 1 . . . . 55 ASP HA . 6527 1 444 . 1 1 35 35 ASP HB2 H 1 2.81 . . 2 . . . . 55 ASP HB2 . 6527 1 445 . 1 1 35 35 ASP HB3 H 1 3.10 . . 2 . . . . 55 ASP HB3 . 6527 1 446 . 1 1 35 35 ASP C C 13 177.63 . . 1 . . . . 55 ASP C . 6527 1 447 . 1 1 35 35 ASP CA C 13 53.81 . . 1 . . . . 55 ASP CA . 6527 1 448 . 1 1 35 35 ASP CB C 13 40.99 . . 1 . . . . 55 ASP CB . 6527 1 449 . 1 1 35 35 ASP N N 15 118.43 . . 1 . . . . 55 ASP N . 6527 1 450 . 1 1 36 36 ASN HA H 1 4.61 . . 1 . . . . 56 ASN HA . 6527 1 451 . 1 1 36 36 ASN HB2 H 1 2.91 . . 1 . . . . 56 ASN HB2 . 6527 1 452 . 1 1 36 36 ASN HB3 H 1 2.97 . . 1 . . . . 56 ASN HB3 . 6527 1 453 . 1 1 36 36 ASN HD21 H 1 6.92 . . 2 . . . . 56 ASN HD21 . 6527 1 454 . 1 1 36 36 ASN HD22 H 1 7.62 . . 2 . . . . 56 ASN HD22 . 6527 1 455 . 1 1 36 36 ASN CA C 13 58.89 . . 1 . . . . 56 ASN CA . 6527 1 456 . 1 1 36 36 ASN CB C 13 36.51 . . 1 . . . . 56 ASN CB . 6527 1 457 . 1 1 36 36 ASN ND2 N 15 112.72 . . 2 . . . . 56 ASN ND2 . 6527 1 458 . 1 1 37 37 PRO HA H 1 4.32 . . 2 . . . . 57 PRO HA . 6527 1 459 . 1 1 37 37 PRO HB2 H 1 2.33 . . 2 . . . . 57 PRO HB2 . 6527 1 460 . 1 1 37 37 PRO HB3 H 1 2.21 . . 2 . . . . 57 PRO HB3 . 6527 1 461 . 1 1 37 37 PRO HG2 H 1 2.01 . . 2 . . . . 57 PRO HG2 . 6527 1 462 . 1 1 37 37 PRO HG3 H 1 2.21 . . 2 . . . . 57 PRO HG3 . 6527 1 463 . 1 1 37 37 PRO HD2 H 1 3.71 . . 2 . . . . 57 PRO HD2 . 6527 1 464 . 1 1 37 37 PRO HD3 H 1 3.98 . . 2 . . . . 57 PRO HD3 . 6527 1 465 . 1 1 37 37 PRO C C 13 179.68 . . 1 . . . . 57 PRO C . 6527 1 466 . 1 1 37 37 PRO CA C 13 66.63 . . 1 . . . . 57 PRO CA . 6527 1 467 . 1 1 37 37 PRO CB C 13 30.82 . . 1 . . . . 57 PRO CB . 6527 1 468 . 1 1 37 37 PRO CG C 13 28.20 . . 1 . . . . 57 PRO CG . 6527 1 469 . 1 1 37 37 PRO CD C 13 50.09 . . 1 . . . . 57 PRO CD . 6527 1 470 . 1 1 38 38 THR H H 1 8.00 . . 1 . . . . 58 THR H . 6527 1 471 . 1 1 38 38 THR HA H 1 3.99 . . 1 . . . . 58 THR HA . 6527 1 472 . 1 1 38 38 THR HB H 1 4.03 . . 1 . . . . 58 THR HB . 6527 1 473 . 1 1 38 38 THR HG21 H 1 1.33 . . 1 . . . . 58 THR HG21 . 6527 1 474 . 1 1 38 38 THR HG22 H 1 1.33 . . 1 . . . . 58 THR HG21 . 6527 1 475 . 1 1 38 38 THR HG23 H 1 1.33 . . 1 . . . . 58 THR HG21 . 6527 1 476 . 1 1 38 38 THR C C 13 176.33 . . 1 . . . . 58 THR C . 6527 1 477 . 1 1 38 38 THR CA C 13 67.11 . . 1 . . . . 58 THR CA . 6527 1 478 . 1 1 38 38 THR CB C 13 67.94 . . 1 . . . . 58 THR CB . 6527 1 479 . 1 1 38 38 THR CG2 C 13 22.05 . . 1 . . . . 58 THR CG2 . 6527 1 480 . 1 1 38 38 THR N N 15 115.81 . . 1 . . . . 58 THR N . 6527 1 481 . 1 1 39 39 THR H H 1 8.38 . . 1 . . . . 59 THR H . 6527 1 482 . 1 1 39 39 THR HA H 1 3.75 . . 1 . . . . 59 THR HA . 6527 1 483 . 1 1 39 39 THR HB H 1 4.48 . . 2 . . . . 59 THR HB . 6527 1 484 . 1 1 39 39 THR HG21 H 1 1.22 . . 1 . . . . 59 THR HG21 . 6527 1 485 . 1 1 39 39 THR HG22 H 1 1.22 . . 1 . . . . 59 THR HG21 . 6527 1 486 . 1 1 39 39 THR HG23 H 1 1.22 . . 1 . . . . 59 THR HG21 . 6527 1 487 . 1 1 39 39 THR C C 13 177.95 . . 1 . . . . 59 THR C . 6527 1 488 . 1 1 39 39 THR CA C 13 68.06 . . 1 . . . . 59 THR CA . 6527 1 489 . 1 1 39 39 THR CB C 13 68.71 . . 1 . . . . 59 THR CB . 6527 1 490 . 1 1 39 39 THR CG2 C 13 21.42 . . 1 . . . . 59 THR CG2 . 6527 1 491 . 1 1 39 39 THR N N 15 118.88 . . 1 . . . . 59 THR N . 6527 1 492 . 1 1 40 40 THR H H 1 8.37 . . 1 . . . . 60 THR H . 6527 1 493 . 1 1 40 40 THR HA H 1 3.83 . . 1 . . . . 60 THR HA . 6527 1 494 . 1 1 40 40 THR HB H 1 4.22 . . 2 . . . . 60 THR HB . 6527 1 495 . 1 1 40 40 THR HG21 H 1 1.25 . . 1 . . . . 60 THR HG21 . 6527 1 496 . 1 1 40 40 THR HG22 H 1 1.25 . . 1 . . . . 60 THR HG21 . 6527 1 497 . 1 1 40 40 THR HG23 H 1 1.25 . . 1 . . . . 60 THR HG21 . 6527 1 498 . 1 1 40 40 THR C C 13 176.50 . . 1 . . . . 60 THR C . 6527 1 499 . 1 1 40 40 THR CA C 13 66.90 . . 1 . . . . 60 THR CA . 6527 1 500 . 1 1 40 40 THR CB C 13 68.83 . . 1 . . . . 60 THR CB . 6527 1 501 . 1 1 40 40 THR CG2 C 13 21.54 . . 1 . . . . 60 THR CG2 . 6527 1 502 . 1 1 40 40 THR N N 15 116.34 . . 1 . . . . 60 THR N . 6527 1 503 . 1 1 41 41 GLN H H 1 7.74 . . 1 . . . . 61 GLN H . 6527 1 504 . 1 1 41 41 GLN HA H 1 4.12 . . 1 . . . . 61 GLN HA . 6527 1 505 . 1 1 41 41 GLN HB2 H 1 2.13 . . 2 . . . . 61 GLN HB2 . 6527 1 506 . 1 1 41 41 GLN HB3 H 1 2.16 . . 2 . . . . 61 GLN HB3 . 6527 1 507 . 1 1 41 41 GLN HG2 H 1 2.32 . . 1 . . . . 61 GLN HG2 . 6527 1 508 . 1 1 41 41 GLN HG3 H 1 2.32 . . 1 . . . . 61 GLN HG3 . 6527 1 509 . 1 1 41 41 GLN HE21 H 1 7.07 . . 2 . . . . 61 GLN HE21 . 6527 1 510 . 1 1 41 41 GLN HE22 H 1 6.60 . . 2 . . . . 61 GLN HE22 . 6527 1 511 . 1 1 41 41 GLN C C 13 177.94 . . 1 . . . . 61 GLN C . 6527 1 512 . 1 1 41 41 GLN CA C 13 59.36 . . 1 . . . . 61 GLN CA . 6527 1 513 . 1 1 41 41 GLN CB C 13 28.80 . . 1 . . . . 61 GLN CB . 6527 1 514 . 1 1 41 41 GLN CG C 13 33.49 . . 1 . . . . 61 GLN CG . 6527 1 515 . 1 1 41 41 GLN N N 15 122.23 . . 1 . . . . 61 GLN N . 6527 1 516 . 1 1 41 41 GLN NE2 N 15 110.14 . . 2 . . . . 61 GLN NE2 . 6527 1 517 . 1 1 42 42 TYR H H 1 8.39 . . 1 . . . . 62 TYR H . 6527 1 518 . 1 1 42 42 TYR HA H 1 3.98 . . 1 . . . . 62 TYR HA . 6527 1 519 . 1 1 42 42 TYR HB2 H 1 3.00 . . 2 . . . . 62 TYR HB2 . 6527 1 520 . 1 1 42 42 TYR HB3 H 1 2.55 . . 2 . . . . 62 TYR HB3 . 6527 1 521 . 1 1 42 42 TYR HD1 H 1 6.99 . . 1 . . . . 62 TYR HD1 . 6527 1 522 . 1 1 42 42 TYR HD2 H 1 6.99 . . 1 . . . . 62 TYR HD2 . 6527 1 523 . 1 1 42 42 TYR HE1 H 1 6.57 . . 1 . . . . 62 TYR HE1 . 6527 1 524 . 1 1 42 42 TYR HE2 H 1 6.57 . . 1 . . . . 62 TYR HE2 . 6527 1 525 . 1 1 42 42 TYR C C 13 178.86 . . 1 . . . . 62 TYR C . 6527 1 526 . 1 1 42 42 TYR CA C 13 63.11 . . 1 . . . . 62 TYR CA . 6527 1 527 . 1 1 42 42 TYR CB C 13 39.49 . . 1 . . . . 62 TYR CB . 6527 1 528 . 1 1 42 42 TYR CD1 C 13 131.62 . . 1 . . . . 62 TYR CD1 . 6527 1 529 . 1 1 42 42 TYR CD2 C 13 131.62 . . 1 . . . . 62 TYR CD2 . 6527 1 530 . 1 1 42 42 TYR CE1 C 13 118.13 . . 1 . . . . 62 TYR CE1 . 6527 1 531 . 1 1 42 42 TYR CE2 C 13 118.13 . . 1 . . . . 62 TYR CE2 . 6527 1 532 . 1 1 42 42 TYR N N 15 116.13 . . 1 . . . . 62 TYR N . 6527 1 533 . 1 1 43 43 ALA H H 1 8.88 . . 1 . . . . 63 ALA H . 6527 1 534 . 1 1 43 43 ALA HA H 1 3.87 . . 1 . . . . 63 ALA HA . 6527 1 535 . 1 1 43 43 ALA HB1 H 1 1.46 . . 1 . . . . 63 ALA HB1 . 6527 1 536 . 1 1 43 43 ALA HB2 H 1 1.46 . . 1 . . . . 63 ALA HB1 . 6527 1 537 . 1 1 43 43 ALA HB3 H 1 1.46 . . 1 . . . . 63 ALA HB1 . 6527 1 538 . 1 1 43 43 ALA C C 13 178.82 . . 1 . . . . 63 ALA C . 6527 1 539 . 1 1 43 43 ALA CA C 13 56.70 . . 1 . . . . 63 ALA CA . 6527 1 540 . 1 1 43 43 ALA CB C 13 18.67 . . 1 . . . . 63 ALA CB . 6527 1 541 . 1 1 43 43 ALA N N 15 119.92 . . 1 . . . . 63 ALA N . 6527 1 542 . 1 1 44 44 SER H H 1 7.84 . . 1 . . . . 64 SER H . 6527 1 543 . 1 1 44 44 SER HA H 1 4.36 . . 1 . . . . 64 SER HA . 6527 1 544 . 1 1 44 44 SER HB2 H 1 4.03 . . 1 . . . . 64 SER HB2 . 6527 1 545 . 1 1 44 44 SER HB3 H 1 4.03 . . 1 . . . . 64 SER HB3 . 6527 1 546 . 1 1 44 44 SER C C 13 178.00 . . 1 . . . . 64 SER C . 6527 1 547 . 1 1 44 44 SER CA C 13 61.56 . . 1 . . . . 64 SER CA . 6527 1 548 . 1 1 44 44 SER CB C 13 63.03 . . 1 . . . . 64 SER CB . 6527 1 549 . 1 1 44 44 SER N N 15 110.88 . . 1 . . . . 64 SER N . 6527 1 550 . 1 1 45 45 LEU H H 1 7.89 . . 1 . . . . 65 LEU H . 6527 1 551 . 1 1 45 45 LEU HA H 1 4.25 . . 1 . . . . 65 LEU HA . 6527 1 552 . 1 1 45 45 LEU HB2 H 1 1.78 . . 2 . . . . 65 LEU HB2 . 6527 1 553 . 1 1 45 45 LEU HB3 H 1 1.41 . . 2 . . . . 65 LEU HB3 . 6527 1 554 . 1 1 45 45 LEU HG H 1 1.74 . . 2 . . . . 65 LEU HG . 6527 1 555 . 1 1 45 45 LEU HD11 H 1 0.77 . . 2 . . . . 65 LEU HD11 . 6527 1 556 . 1 1 45 45 LEU HD12 H 1 0.77 . . 2 . . . . 65 LEU HD11 . 6527 1 557 . 1 1 45 45 LEU HD13 H 1 0.77 . . 2 . . . . 65 LEU HD11 . 6527 1 558 . 1 1 45 45 LEU HD21 H 1 0.88 . . 2 . . . . 65 LEU HD21 . 6527 1 559 . 1 1 45 45 LEU HD22 H 1 0.88 . . 2 . . . . 65 LEU HD21 . 6527 1 560 . 1 1 45 45 LEU HD23 H 1 0.88 . . 2 . . . . 65 LEU HD21 . 6527 1 561 . 1 1 45 45 LEU C C 13 180.39 . . 1 . . . . 65 LEU C . 6527 1 562 . 1 1 45 45 LEU CA C 13 57.57 . . 1 . . . . 65 LEU CA . 6527 1 563 . 1 1 45 45 LEU CB C 13 42.72 . . 1 . . . . 65 LEU CB . 6527 1 564 . 1 1 45 45 LEU CG C 13 27.21 . . 1 . . . . 65 LEU CG . 6527 1 565 . 1 1 45 45 LEU CD1 C 13 25.93 . . 2 . . . . 65 LEU CD1 . 6527 1 566 . 1 1 45 45 LEU CD2 C 13 23.73 . . 2 . . . . 65 LEU CD2 . 6527 1 567 . 1 1 45 45 LEU N N 15 121.38 . . 1 . . . . 65 LEU N . 6527 1 568 . 1 1 46 46 MET H H 1 8.81 . . 1 . . . . 66 MET H . 6527 1 569 . 1 1 46 46 MET HA H 1 4.71 . . 1 . . . . 66 MET HA . 6527 1 570 . 1 1 46 46 MET HB2 H 1 2.44 . . 1 . . . . 66 MET HB2 . 6527 1 571 . 1 1 46 46 MET HB3 H 1 2.44 . . 1 . . . . 66 MET HB3 . 6527 1 572 . 1 1 46 46 MET HG2 H 1 2.77 . . 1 . . . . 66 MET HG2 . 6527 1 573 . 1 1 46 46 MET HG3 H 1 2.71 . . 1 . . . . 66 MET HG3 . 6527 1 574 . 1 1 46 46 MET HE1 H 1 1.75 . . 1 . . . . 66 MET HE1 . 6527 1 575 . 1 1 46 46 MET HE2 H 1 1.75 . . 1 . . . . 66 MET HE1 . 6527 1 576 . 1 1 46 46 MET HE3 H 1 1.75 . . 1 . . . . 66 MET HE1 . 6527 1 577 . 1 1 46 46 MET C C 13 178.48 . . 1 . . . . 66 MET C . 6527 1 578 . 1 1 46 46 MET CA C 13 55.92 . . 1 . . . . 66 MET CA . 6527 1 579 . 1 1 46 46 MET CB C 13 30.77 . . 1 . . . . 66 MET CB . 6527 1 580 . 1 1 46 46 MET CG C 13 33.62 . . 1 . . . . 66 MET CG . 6527 1 581 . 1 1 46 46 MET CE C 13 17.57 . . 1 . . . . 66 MET CE . 6527 1 582 . 1 1 46 46 MET N N 15 115.16 . . 1 . . . . 66 MET N . 6527 1 583 . 1 1 47 47 HIS H H 1 8.43 . . 1 . . . . 67 HIS H . 6527 1 584 . 1 1 47 47 HIS HA H 1 4.17 . . 1 . . . . 67 HIS HA . 6527 1 585 . 1 1 47 47 HIS HB2 H 1 3.34 . . 1 . . . . 67 HIS HB2 . 6527 1 586 . 1 1 47 47 HIS HB3 H 1 3.34 . . 1 . . . . 67 HIS HB3 . 6527 1 587 . 1 1 47 47 HIS HD2 H 1 7.12 . . 2 . . . . 67 HIS HD3 . 6527 1 588 . 1 1 47 47 HIS C C 13 176.34 . . 1 . . . . 67 HIS C . 6527 1 589 . 1 1 47 47 HIS CA C 13 60.96 . . 1 . . . . 67 HIS CA . 6527 1 590 . 1 1 47 47 HIS CB C 13 31.02 . . 1 . . . . 67 HIS CB . 6527 1 591 . 1 1 47 47 HIS CD2 C 13 119.93 . . 2 . . . . 67 HIS CD2 . 6527 1 592 . 1 1 47 47 HIS N N 15 120.65 . . 1 . . . . 67 HIS N . 6527 1 593 . 1 1 48 48 SER H H 1 7.56 . . 1 . . . . 68 SER H . 6527 1 594 . 1 1 48 48 SER HA H 1 3.94 . . 1 . . . . 68 SER HA . 6527 1 595 . 1 1 48 48 SER HB2 H 1 4.59 . . 1 . . . . 68 SER HB2 . 6527 1 596 . 1 1 48 48 SER HB3 H 1 4.59 . . 1 . . . . 68 SER HB3 . 6527 1 597 . 1 1 48 48 SER C C 13 177.38 . . 1 . . . . 68 SER C . 6527 1 598 . 1 1 48 48 SER CA C 13 61.40 . . 1 . . . . 68 SER CA . 6527 1 599 . 1 1 48 48 SER CB C 13 62.85 . . 1 . . . . 68 SER CB . 6527 1 600 . 1 1 48 48 SER N N 15 110.31 . . 1 . . . . 68 SER N . 6527 1 601 . 1 1 49 49 PHE H H 1 7.70 . . 1 . . . . 69 PHE H . 6527 1 602 . 1 1 49 49 PHE HA H 1 4.18 . . 1 . . . . 69 PHE HA . 6527 1 603 . 1 1 49 49 PHE HB2 H 1 3.40 . . 2 . . . . 69 PHE HB2 . 6527 1 604 . 1 1 49 49 PHE HB3 H 1 3.13 . . 2 . . . . 69 PHE HB3 . 6527 1 605 . 1 1 49 49 PHE HD1 H 1 7.00 . . 1 . . . . 69 PHE HD1 . 6527 1 606 . 1 1 49 49 PHE HD2 H 1 7.00 . . 1 . . . . 69 PHE HD2 . 6527 1 607 . 1 1 49 49 PHE HE1 H 1 6.84 . . 1 . . . . 69 PHE HE1 . 6527 1 608 . 1 1 49 49 PHE HE2 H 1 6.84 . . 1 . . . . 69 PHE HE2 . 6527 1 609 . 1 1 49 49 PHE HZ H 1 6.81 . . 1 . . . . 69 PHE HZ . 6527 1 610 . 1 1 49 49 PHE C C 13 176.67 . . 1 . . . . 69 PHE C . 6527 1 611 . 1 1 49 49 PHE CA C 13 60.96 . . 1 . . . . 69 PHE CA . 6527 1 612 . 1 1 49 49 PHE CB C 13 39.53 . . 1 . . . . 69 PHE CB . 6527 1 613 . 1 1 49 49 PHE CD1 C 13 130.97 . . 1 . . . . 69 PHE CD1 . 6527 1 614 . 1 1 49 49 PHE CD2 C 13 130.97 . . 1 . . . . 69 PHE CD2 . 6527 1 615 . 1 1 49 49 PHE CE1 C 13 130.25 . . 1 . . . . 69 PHE CE1 . 6527 1 616 . 1 1 49 49 PHE CE2 C 13 130.25 . . 1 . . . . 69 PHE CE2 . 6527 1 617 . 1 1 49 49 PHE CZ C 13 128.63 . . 1 . . . . 69 PHE CZ . 6527 1 618 . 1 1 49 49 PHE N N 15 121.38 . . 1 . . . . 69 PHE N . 6527 1 619 . 1 1 50 50 ILE H H 1 8.81 . . 1 . . . . 70 ILE H . 6527 1 620 . 1 1 50 50 ILE HA H 1 3.20 . . 1 . . . . 70 ILE HA . 6527 1 621 . 1 1 50 50 ILE HB H 1 1.57 . . 1 . . . . 70 ILE HB . 6527 1 622 . 1 1 50 50 ILE HG12 H 1 0.62 . . 2 . . . . 70 ILE HG12 . 6527 1 623 . 1 1 50 50 ILE HG13 H 1 1.54 . . 2 . . . . 70 ILE HG13 . 6527 1 624 . 1 1 50 50 ILE HG21 H 1 0.15 . . 1 . . . . 70 ILE HG21 . 6527 1 625 . 1 1 50 50 ILE HG22 H 1 0.15 . . 1 . . . . 70 ILE HG21 . 6527 1 626 . 1 1 50 50 ILE HG23 H 1 0.15 . . 1 . . . . 70 ILE HG21 . 6527 1 627 . 1 1 50 50 ILE HD11 H 1 0.38 . . 1 . . . . 70 ILE HD11 . 6527 1 628 . 1 1 50 50 ILE HD12 H 1 0.38 . . 1 . . . . 70 ILE HD11 . 6527 1 629 . 1 1 50 50 ILE HD13 H 1 0.38 . . 1 . . . . 70 ILE HD11 . 6527 1 630 . 1 1 50 50 ILE C C 13 177.48 . . 1 . . . . 70 ILE C . 6527 1 631 . 1 1 50 50 ILE CA C 13 65.17 . . 1 . . . . 70 ILE CA . 6527 1 632 . 1 1 50 50 ILE CB C 13 37.34 . . 1 . . . . 70 ILE CB . 6527 1 633 . 1 1 50 50 ILE CG1 C 13 29.86 . . 1 . . . . 70 ILE CG1 . 6527 1 634 . 1 1 50 50 ILE CG2 C 13 17.00 . . 1 . . . . 70 ILE CG2 . 6527 1 635 . 1 1 50 50 ILE CD1 C 13 13.92 . . 1 . . . . 70 ILE CD1 . 6527 1 636 . 1 1 50 50 ILE N N 15 120.73 . . 1 . . . . 70 ILE N . 6527 1 637 . 1 1 51 51 LEU H H 1 7.61 . . 1 . . . . 71 LEU H . 6527 1 638 . 1 1 51 51 LEU HA H 1 3.82 . . 1 . . . . 71 LEU HA . 6527 1 639 . 1 1 51 51 LEU HB2 H 1 1.39 . . 2 . . . . 71 LEU HB2 . 6527 1 640 . 1 1 51 51 LEU HB3 H 1 1.64 . . 2 . . . . 71 LEU HB3 . 6527 1 641 . 1 1 51 51 LEU HG H 1 1.40 . . 2 . . . . 71 LEU HG . 6527 1 642 . 1 1 51 51 LEU HD11 H 1 0.60 . . 2 . . . . 71 LEU HD11 . 6527 1 643 . 1 1 51 51 LEU HD12 H 1 0.60 . . 2 . . . . 71 LEU HD11 . 6527 1 644 . 1 1 51 51 LEU HD13 H 1 0.60 . . 2 . . . . 71 LEU HD11 . 6527 1 645 . 1 1 51 51 LEU HD21 H 1 0.73 . . 2 . . . . 71 LEU HD21 . 6527 1 646 . 1 1 51 51 LEU HD22 H 1 0.73 . . 2 . . . . 71 LEU HD21 . 6527 1 647 . 1 1 51 51 LEU HD23 H 1 0.73 . . 2 . . . . 71 LEU HD21 . 6527 1 648 . 1 1 51 51 LEU C C 13 180.35 . . 1 . . . . 71 LEU C . 6527 1 649 . 1 1 51 51 LEU CA C 13 58.35 . . 1 . . . . 71 LEU CA . 6527 1 650 . 1 1 51 51 LEU CB C 13 41.10 . . 1 . . . . 71 LEU CB . 6527 1 651 . 1 1 51 51 LEU CG C 13 26.75 . . 1 . . . . 71 LEU CG . 6527 1 652 . 1 1 51 51 LEU CD1 C 13 24.78 . . 2 . . . . 71 LEU CD1 . 6527 1 653 . 1 1 51 51 LEU CD2 C 13 22.69 . . 1 . . . . 71 LEU CD2 . 6527 1 654 . 1 1 51 51 LEU N N 15 119.57 . . 1 . . . . 71 LEU N . 6527 1 655 . 1 1 52 52 LYS H H 1 7.51 . . 1 . . . . 72 LYS H . 6527 1 656 . 1 1 52 52 LYS HA H 1 4.20 . . 1 . . . . 72 LYS HA . 6527 1 657 . 1 1 52 52 LYS HB2 H 1 1.96 . . 1 . . . . 72 LYS HB2 . 6527 1 658 . 1 1 52 52 LYS HB3 H 1 1.96 . . 1 . . . . 72 LYS HB3 . 6527 1 659 . 1 1 52 52 LYS HG2 H 1 1.39 . . 1 . . . . 72 LYS HG2 . 6527 1 660 . 1 1 52 52 LYS HG3 H 1 1.39 . . 1 . . . . 72 LYS HG3 . 6527 1 661 . 1 1 52 52 LYS HD2 H 1 1.65 . . 2 . . . . 72 LYS HD2 . 6527 1 662 . 1 1 52 52 LYS HD3 H 1 1.71 . . 2 . . . . 72 LYS HD3 . 6527 1 663 . 1 1 52 52 LYS HE2 H 1 2.83 . . 1 . . . . 72 LYS HE2 . 6527 1 664 . 1 1 52 52 LYS HE3 H 1 2.83 . . 1 . . . . 72 LYS HE3 . 6527 1 665 . 1 1 52 52 LYS C C 13 179.22 . . 1 . . . . 72 LYS C . 6527 1 666 . 1 1 52 52 LYS CA C 13 57.41 . . 1 . . . . 72 LYS CA . 6527 1 667 . 1 1 52 52 LYS CB C 13 31.65 . . 1 . . . . 72 LYS CB . 6527 1 668 . 1 1 52 52 LYS CG C 13 25.20 . . 1 . . . . 72 LYS CG . 6527 1 669 . 1 1 52 52 LYS CD C 13 28.41 . . 1 . . . . 72 LYS CD . 6527 1 670 . 1 1 52 52 LYS CE C 13 42.06 . . 1 . . . . 72 LYS CE . 6527 1 671 . 1 1 52 52 LYS N N 15 119.69 . . 1 . . . . 72 LYS N . 6527 1 672 . 1 1 53 53 ALA H H 1 8.70 . . 1 . . . . 73 ALA H . 6527 1 673 . 1 1 53 53 ALA HA H 1 3.43 . . 1 . . . . 73 ALA HA . 6527 1 674 . 1 1 53 53 ALA HB1 H 1 1.15 . . 1 . . . . 73 ALA HB1 . 6527 1 675 . 1 1 53 53 ALA HB2 H 1 1.15 . . 1 . . . . 73 ALA HB1 . 6527 1 676 . 1 1 53 53 ALA HB3 H 1 1.15 . . 1 . . . . 73 ALA HB1 . 6527 1 677 . 1 1 53 53 ALA C C 13 178.25 . . 1 . . . . 73 ALA C . 6527 1 678 . 1 1 53 53 ALA CA C 13 55.31 . . 1 . . . . 73 ALA CA . 6527 1 679 . 1 1 53 53 ALA CB C 13 19.05 . . 1 . . . . 73 ALA CB . 6527 1 680 . 1 1 53 53 ALA N N 15 125.19 . . 1 . . . . 73 ALA N . 6527 1 681 . 1 1 54 54 ARG H H 1 8.47 . . 1 . . . . 74 ARG H . 6527 1 682 . 1 1 54 54 ARG HA H 1 3.74 . . 1 . . . . 74 ARG HA . 6527 1 683 . 1 1 54 54 ARG HB2 H 1 1.95 . . 2 . . . . 74 ARG HB2 . 6527 1 684 . 1 1 54 54 ARG HB3 H 1 1.76 . . 2 . . . . 74 ARG HB3 . 6527 1 685 . 1 1 54 54 ARG HG2 H 1 1.63 . . 1 . . . . 74 ARG HG2 . 6527 1 686 . 1 1 54 54 ARG HG3 H 1 1.63 . . 1 . . . . 74 ARG HG3 . 6527 1 687 . 1 1 54 54 ARG HD2 H 1 3.18 . . 2 . . . . 74 ARG HD2 . 6527 1 688 . 1 1 54 54 ARG HD3 H 1 3.13 . . 2 . . . . 74 ARG HD3 . 6527 1 689 . 1 1 54 54 ARG C C 13 178.15 . . 1 . . . . 74 ARG C . 6527 1 690 . 1 1 54 54 ARG CA C 13 60.38 . . 1 . . . . 74 ARG CA . 6527 1 691 . 1 1 54 54 ARG CB C 13 30.56 . . 1 . . . . 74 ARG CB . 6527 1 692 . 1 1 54 54 ARG CG C 13 27.97 . . 1 . . . . 74 ARG CG . 6527 1 693 . 1 1 54 54 ARG CD C 13 44.22 . . 1 . . . . 74 ARG CD . 6527 1 694 . 1 1 54 54 ARG N N 15 117.13 . . 1 . . . . 74 ARG N . 6527 1 695 . 1 1 55 55 SER H H 1 7.99 . . 1 . . . . 75 SER H . 6527 1 696 . 1 1 55 55 SER HA H 1 4.06 . . 1 . . . . 75 SER HA . 6527 1 697 . 1 1 55 55 SER HB2 H 1 3.93 . . 2 . . . . 75 SER HB2 . 6527 1 698 . 1 1 55 55 SER HB3 H 1 3.90 . . 2 . . . . 75 SER HB3 . 6527 1 699 . 1 1 55 55 SER C C 13 175.77 . . 1 . . . . 75 SER C . 6527 1 700 . 1 1 55 55 SER CA C 13 61.66 . . 1 . . . . 75 SER CA . 6527 1 701 . 1 1 55 55 SER CB C 13 62.70 . . 1 . . . . 75 SER CB . 6527 1 702 . 1 1 55 55 SER N N 15 113.74 . . 1 . . . . 75 SER N . 6527 1 703 . 1 1 56 56 THR H H 1 7.88 . . 1 . . . . 76 THR H . 6527 1 704 . 1 1 56 56 THR HA H 1 3.79 . . 1 . . . . 76 THR HA . 6527 1 705 . 1 1 56 56 THR HB H 1 3.93 . . 2 . . . . 76 THR HB . 6527 1 706 . 1 1 56 56 THR HG21 H 1 0.84 . . 1 . . . . 76 THR HG21 . 6527 1 707 . 1 1 56 56 THR HG22 H 1 0.84 . . 1 . . . . 76 THR HG21 . 6527 1 708 . 1 1 56 56 THR HG23 H 1 0.84 . . 1 . . . . 76 THR HG21 . 6527 1 709 . 1 1 56 56 THR C C 13 175.02 . . 1 . . . . 76 THR C . 6527 1 710 . 1 1 56 56 THR CA C 13 67.75 . . 1 . . . . 76 THR CA . 6527 1 711 . 1 1 56 56 THR CB C 13 68.54 . . 1 . . . . 76 THR CB . 6527 1 712 . 1 1 56 56 THR CG2 C 13 20.65 . . 1 . . . . 76 THR CG2 . 6527 1 713 . 1 1 56 56 THR N N 15 118.62 . . 1 . . . . 76 THR N . 6527 1 714 . 1 1 57 57 VAL H H 1 7.43 . . 1 . . . . 77 VAL H . 6527 1 715 . 1 1 57 57 VAL HA H 1 3.44 . . 1 . . . . 77 VAL HA . 6527 1 716 . 1 1 57 57 VAL HB H 1 2.07 . . 2 . . . . 77 VAL HB . 6527 1 717 . 1 1 57 57 VAL HG11 H 1 0.72 . . 2 . . . . 77 VAL HG11 . 6527 1 718 . 1 1 57 57 VAL HG12 H 1 0.72 . . 2 . . . . 77 VAL HG11 . 6527 1 719 . 1 1 57 57 VAL HG13 H 1 0.72 . . 2 . . . . 77 VAL HG11 . 6527 1 720 . 1 1 57 57 VAL HG21 H 1 0.85 . . 2 . . . . 77 VAL HG21 . 6527 1 721 . 1 1 57 57 VAL HG22 H 1 0.85 . . 2 . . . . 77 VAL HG21 . 6527 1 722 . 1 1 57 57 VAL HG23 H 1 0.85 . . 2 . . . . 77 VAL HG21 . 6527 1 723 . 1 1 57 57 VAL C C 13 178.32 . . 1 . . . . 77 VAL C . 6527 1 724 . 1 1 57 57 VAL CA C 13 66.55 . . 1 . . . . 77 VAL CA . 6527 1 725 . 1 1 57 57 VAL CB C 13 31.48 . . 1 . . . . 77 VAL CB . 6527 1 726 . 1 1 57 57 VAL CG1 C 13 21.29 . . 2 . . . . 77 VAL CG1 . 6527 1 727 . 1 1 57 57 VAL CG2 C 13 22.19 . . 2 . . . . 77 VAL CG2 . 6527 1 728 . 1 1 57 57 VAL N N 15 116.36 . . 1 . . . . 77 VAL N . 6527 1 729 . 1 1 58 58 ARG H H 1 7.59 . . 1 . . . . 78 ARG H . 6527 1 730 . 1 1 58 58 ARG HA H 1 4.27 . . 1 . . . . 78 ARG HA . 6527 1 731 . 1 1 58 58 ARG HB2 H 1 1.78 . . 2 . . . . 78 ARG HB2 . 6527 1 732 . 1 1 58 58 ARG HB3 H 1 1.72 . . 2 . . . . 78 ARG HB3 . 6527 1 733 . 1 1 58 58 ARG HD2 H 1 3.16 . . 1 . . . . 78 ARG HD2 . 6527 1 734 . 1 1 58 58 ARG HD3 H 1 3.16 . . 1 . . . . 78 ARG HD3 . 6527 1 735 . 1 1 58 58 ARG C C 13 177.47 . . 1 . . . . 78 ARG C . 6527 1 736 . 1 1 58 58 ARG CA C 13 58.08 . . 1 . . . . 78 ARG CA . 6527 1 737 . 1 1 58 58 ARG CB C 13 30.30 . . 1 . . . . 78 ARG CB . 6527 1 738 . 1 1 58 58 ARG CG C 13 28.03 . . 1 . . . . 78 ARG CG . 6527 1 739 . 1 1 58 58 ARG CD C 13 44.02 . . 1 . . . . 78 ARG CD . 6527 1 740 . 1 1 58 58 ARG N N 15 119.03 . . 1 . . . . 78 ARG N . 6527 1 741 . 1 1 59 59 ASP H H 1 8.04 . . 1 . . . . 79 ASP H . 6527 1 742 . 1 1 59 59 ASP HA H 1 4.35 . . 1 . . . . 79 ASP HA . 6527 1 743 . 1 1 59 59 ASP HB2 H 1 2.46 . . 2 . . . . 79 ASP HB2 . 6527 1 744 . 1 1 59 59 ASP HB3 H 1 2.75 . . 2 . . . . 79 ASP HB3 . 6527 1 745 . 1 1 59 59 ASP C C 13 178.43 . . 1 . . . . 79 ASP C . 6527 1 746 . 1 1 59 59 ASP CA C 13 56.35 . . 1 . . . . 79 ASP CA . 6527 1 747 . 1 1 59 59 ASP CB C 13 40.76 . . 1 . . . . 79 ASP CB . 6527 1 748 . 1 1 59 59 ASP N N 15 119.79 . . 1 . . . . 79 ASP N . 6527 1 749 . 1 1 60 60 ILE H H 1 7.05 . . 1 . . . . 80 ILE H . 6527 1 750 . 1 1 60 60 ILE HA H 1 3.54 . . 1 . . . . 80 ILE HA . 6527 1 751 . 1 1 60 60 ILE HB H 1 1.57 . . 1 . . . . 80 ILE HB . 6527 1 752 . 1 1 60 60 ILE HG12 H 1 0.45 . . 2 . . . . 80 ILE HG12 . 6527 1 753 . 1 1 60 60 ILE HG13 H 1 1.57 . . 2 . . . . 80 ILE HG13 . 6527 1 754 . 1 1 60 60 ILE HG21 H 1 0.62 . . 1 . . . . 80 ILE HG21 . 6527 1 755 . 1 1 60 60 ILE HG22 H 1 0.62 . . 1 . . . . 80 ILE HG21 . 6527 1 756 . 1 1 60 60 ILE HG23 H 1 0.62 . . 1 . . . . 80 ILE HG21 . 6527 1 757 . 1 1 60 60 ILE HD11 H 1 0.31 . . 1 . . . . 80 ILE HD11 . 6527 1 758 . 1 1 60 60 ILE HD12 H 1 0.31 . . 1 . . . . 80 ILE HD11 . 6527 1 759 . 1 1 60 60 ILE HD13 H 1 0.31 . . 1 . . . . 80 ILE HD11 . 6527 1 760 . 1 1 60 60 ILE C C 13 176.21 . . 1 . . . . 80 ILE C . 6527 1 761 . 1 1 60 60 ILE CA C 13 63.97 . . 1 . . . . 80 ILE CA . 6527 1 762 . 1 1 60 60 ILE CB C 13 38.65 . . 1 . . . . 80 ILE CB . 6527 1 763 . 1 1 60 60 ILE CG1 C 13 29.08 . . 1 . . . . 80 ILE CG1 . 6527 1 764 . 1 1 60 60 ILE CG2 C 13 17.25 . . 1 . . . . 80 ILE CG2 . 6527 1 765 . 1 1 60 60 ILE CD1 C 13 13.07 . . 1 . . . . 80 ILE CD1 . 6527 1 766 . 1 1 60 60 ILE N N 15 118.69 . . 1 . . . . 80 ILE N . 6527 1 767 . 1 1 61 61 ASP H H 1 7.31 . . 1 . . . . 81 ASP H . 6527 1 768 . 1 1 61 61 ASP HA H 1 4.87 . . 1 . . . . 81 ASP HA . 6527 1 769 . 1 1 61 61 ASP HB2 H 1 2.58 . . 2 . . . . 81 ASP HB2 . 6527 1 770 . 1 1 61 61 ASP HB3 H 1 2.71 . . 2 . . . . 81 ASP HB3 . 6527 1 771 . 1 1 61 61 ASP C C 13 176.22 . . 1 . . . . 81 ASP C . 6527 1 772 . 1 1 61 61 ASP CA C 13 51.04 . . 1 . . . . 81 ASP CA . 6527 1 773 . 1 1 61 61 ASP CB C 13 43.18 . . 1 . . . . 81 ASP CB . 6527 1 774 . 1 1 61 61 ASP N N 15 116.66 . . 1 . . . . 81 ASP N . 6527 1 775 . 1 1 62 62 PRO HA H 1 4.37 . . 2 . . . . 82 PRO HA . 6527 1 776 . 1 1 62 62 PRO HB2 H 1 2.22 . . 2 . . . . 82 PRO HB2 . 6527 1 777 . 1 1 62 62 PRO HB3 H 1 1.91 . . 2 . . . . 82 PRO HB3 . 6527 1 778 . 1 1 62 62 PRO HG2 H 1 1.96 . . 1 . . . . 82 PRO HG2 . 6527 1 779 . 1 1 62 62 PRO HG3 H 1 1.96 . . 1 . . . . 82 PRO HG3 . 6527 1 780 . 1 1 62 62 PRO HD2 H 1 3.88 . . 2 . . . . 82 PRO HD2 . 6527 1 781 . 1 1 62 62 PRO HD3 H 1 3.61 . . 2 . . . . 82 PRO HD3 . 6527 1 782 . 1 1 62 62 PRO C C 13 178.00 . . 1 . . . . 82 PRO C . 6527 1 783 . 1 1 62 62 PRO CA C 13 64.41 . . 1 . . . . 82 PRO CA . 6527 1 784 . 1 1 62 62 PRO CB C 13 32.05 . . 1 . . . . 82 PRO CB . 6527 1 785 . 1 1 62 62 PRO CG C 13 26.84 . . 1 . . . . 82 PRO CG . 6527 1 786 . 1 1 62 62 PRO CD C 13 50.95 . . 1 . . . . 82 PRO CD . 6527 1 787 . 1 1 63 63 GLN H H 1 8.11 . . 1 . . . . 83 GLN H . 6527 1 788 . 1 1 63 63 GLN HA H 1 4.40 . . 1 . . . . 83 GLN HA . 6527 1 789 . 1 1 63 63 GLN HB2 H 1 2.25 . . 2 . . . . 83 GLN HB2 . 6527 1 790 . 1 1 63 63 GLN HB3 H 1 1.88 . . 2 . . . . 83 GLN HB3 . 6527 1 791 . 1 1 63 63 GLN HG2 H 1 2.36 . . 2 . . . . 83 GLN HG2 . 6527 1 792 . 1 1 63 63 GLN HG3 H 1 2.31 . . 2 . . . . 83 GLN HG3 . 6527 1 793 . 1 1 63 63 GLN HE21 H 1 6.74 . . 2 . . . . 83 GLN HE21 . 6527 1 794 . 1 1 63 63 GLN HE22 H 1 7.48 . . 2 . . . . 83 GLN HE22 . 6527 1 795 . 1 1 63 63 GLN C C 13 175.43 . . 1 . . . . 83 GLN C . 6527 1 796 . 1 1 63 63 GLN CA C 13 55.38 . . 1 . . . . 83 GLN CA . 6527 1 797 . 1 1 63 63 GLN CB C 13 28.77 . . 1 . . . . 83 GLN CB . 6527 1 798 . 1 1 63 63 GLN CG C 13 34.45 . . 1 . . . . 83 GLN CG . 6527 1 799 . 1 1 63 63 GLN N N 15 115.82 . . 1 . . . . 83 GLN N . 6527 1 800 . 1 1 63 63 GLN NE2 N 15 111.91 . . 2 . . . . 83 GLN NE2 . 6527 1 801 . 1 1 64 64 ASN H H 1 8.15 . . 1 . . . . 84 ASN H . 6527 1 802 . 1 1 64 64 ASN HA H 1 4.83 . . 1 . . . . 84 ASN HA . 6527 1 803 . 1 1 64 64 ASN HB2 H 1 2.95 . . 1 . . . . 84 ASN HB2 . 6527 1 804 . 1 1 64 64 ASN HB3 H 1 2.66 . . 1 . . . . 84 ASN HB3 . 6527 1 805 . 1 1 64 64 ASN HD21 H 1 7.51 . . 2 . . . . 84 ASN HD21 . 6527 1 806 . 1 1 64 64 ASN HD22 H 1 8.10 . . 2 . . . . 84 ASN HD22 . 6527 1 807 . 1 1 64 64 ASN C C 13 172.99 . . 1 . . . . 84 ASN C . 6527 1 808 . 1 1 64 64 ASN CA C 13 50.41 . . 1 . . . . 84 ASN CA . 6527 1 809 . 1 1 64 64 ASN CB C 13 40.91 . . 1 . . . . 84 ASN CB . 6527 1 810 . 1 1 64 64 ASN N N 15 120.35 . . 1 . . . . 84 ASN N . 6527 1 811 . 1 1 64 64 ASN ND2 N 15 111.07 . . 2 . . . . 84 ASN ND2 . 6527 1 812 . 1 1 65 65 ASP H H 1 7.83 . . 1 . . . . 85 ASP H . 6527 1 813 . 1 1 65 65 ASP HA H 1 4.71 . . 1 . . . . 85 ASP HA . 6527 1 814 . 1 1 65 65 ASP HB2 H 1 2.57 . . 1 . . . . 85 ASP HB2 . 6527 1 815 . 1 1 65 65 ASP HB3 H 1 2.44 . . 1 . . . . 85 ASP HB3 . 6527 1 816 . 1 1 65 65 ASP C C 13 174.74 . . 1 . . . . 85 ASP C . 6527 1 817 . 1 1 65 65 ASP CA C 13 53.23 . . 1 . . . . 85 ASP CA . 6527 1 818 . 1 1 65 65 ASP CB C 13 44.30 . . 1 . . . . 85 ASP CB . 6527 1 819 . 1 1 65 65 ASP N N 15 115.38 . . 1 . . . . 85 ASP N . 6527 1 820 . 1 1 66 66 LEU H H 1 8.93 . . 1 . . . . 86 LEU H . 6527 1 821 . 1 1 66 66 LEU HA H 1 4.12 . . 1 . . . . 86 LEU HA . 6527 1 822 . 1 1 66 66 LEU HB2 H 1 1.27 . . 2 . . . . 86 LEU HB2 . 6527 1 823 . 1 1 66 66 LEU HB3 H 1 1.72 . . 2 . . . . 86 LEU HB3 . 6527 1 824 . 1 1 66 66 LEU HG H 1 1.47 . . 2 . . . . 86 LEU HG . 6527 1 825 . 1 1 66 66 LEU HD11 H 1 0.85 . . 2 . . . . 86 LEU HD11 . 6527 1 826 . 1 1 66 66 LEU HD12 H 1 0.85 . . 2 . . . . 86 LEU HD11 . 6527 1 827 . 1 1 66 66 LEU HD13 H 1 0.85 . . 2 . . . . 86 LEU HD11 . 6527 1 828 . 1 1 66 66 LEU HD21 H 1 0.70 . . 2 . . . . 86 LEU HD21 . 6527 1 829 . 1 1 66 66 LEU HD22 H 1 0.70 . . 2 . . . . 86 LEU HD21 . 6527 1 830 . 1 1 66 66 LEU HD23 H 1 0.70 . . 2 . . . . 86 LEU HD21 . 6527 1 831 . 1 1 66 66 LEU C C 13 175.56 . . 1 . . . . 86 LEU C . 6527 1 832 . 1 1 66 66 LEU CA C 13 55.60 . . 1 . . . . 86 LEU CA . 6527 1 833 . 1 1 66 66 LEU CB C 13 45.05 . . 1 . . . . 86 LEU CB . 6527 1 834 . 1 1 66 66 LEU CG C 13 27.13 . . 1 . . . . 86 LEU CG . 6527 1 835 . 1 1 66 66 LEU CD1 C 13 25.69 . . 2 . . . . 86 LEU CD1 . 6527 1 836 . 1 1 66 66 LEU CD2 C 13 26.00 . . 2 . . . . 86 LEU CD2 . 6527 1 837 . 1 1 66 66 LEU N N 15 122.89 . . 1 . . . . 86 LEU N . 6527 1 838 . 1 1 67 67 THR H H 1 9.39 . . 1 . . . . 87 THR H . 6527 1 839 . 1 1 67 67 THR HA H 1 4.54 . . 1 . . . . 87 THR HA . 6527 1 840 . 1 1 67 67 THR HB H 1 4.00 . . 2 . . . . 87 THR HB . 6527 1 841 . 1 1 67 67 THR HG21 H 1 1.13 . . 1 . . . . 87 THR HG21 . 6527 1 842 . 1 1 67 67 THR HG22 H 1 1.13 . . 1 . . . . 87 THR HG21 . 6527 1 843 . 1 1 67 67 THR HG23 H 1 1.13 . . 1 . . . . 87 THR HG21 . 6527 1 844 . 1 1 67 67 THR C C 13 174.86 . . 1 . . . . 87 THR C . 6527 1 845 . 1 1 67 67 THR CA C 13 63.27 . . 1 . . . . 87 THR CA . 6527 1 846 . 1 1 67 67 THR CB C 13 69.45 . . 1 . . . . 87 THR CB . 6527 1 847 . 1 1 67 67 THR CG2 C 13 22.54 . . 1 . . . . 87 THR CG2 . 6527 1 848 . 1 1 67 67 THR N N 15 119.26 . . 1 . . . . 87 THR N . 6527 1 849 . 1 1 68 68 PHE H H 1 7.95 . . 1 . . . . 88 PHE H . 6527 1 850 . 1 1 68 68 PHE HA H 1 4.99 . . 1 . . . . 88 PHE HA . 6527 1 851 . 1 1 68 68 PHE HB2 H 1 3.40 . . 1 . . . . 88 PHE HB2 . 6527 1 852 . 1 1 68 68 PHE HB3 H 1 3.09 . . 1 . . . . 88 PHE HB3 . 6527 1 853 . 1 1 68 68 PHE HD1 H 1 7.19 . . 1 . . . . 88 PHE HD1 . 6527 1 854 . 1 1 68 68 PHE HD2 H 1 7.19 . . 1 . . . . 88 PHE HD2 . 6527 1 855 . 1 1 68 68 PHE HE1 H 1 7.25 . . 1 . . . . 88 PHE HE1 . 6527 1 856 . 1 1 68 68 PHE HE2 H 1 7.25 . . 1 . . . . 88 PHE HE2 . 6527 1 857 . 1 1 68 68 PHE HZ H 1 7.32 . . 1 . . . . 88 PHE HZ . 6527 1 858 . 1 1 68 68 PHE C C 13 172.94 . . 1 . . . . 88 PHE C . 6527 1 859 . 1 1 68 68 PHE CA C 13 59.35 . . 1 . . . . 88 PHE CA . 6527 1 860 . 1 1 68 68 PHE CB C 13 42.38 . . 1 . . . . 88 PHE CB . 6527 1 861 . 1 1 68 68 PHE CD1 C 13 132.31 . . 1 . . . . 88 PHE CD1 . 6527 1 862 . 1 1 68 68 PHE CD2 C 13 132.31 . . 1 . . . . 88 PHE CD2 . 6527 1 863 . 1 1 68 68 PHE CE1 C 13 131.12 . . 1 . . . . 88 PHE CE1 . 6527 1 864 . 1 1 68 68 PHE CE2 C 13 131.12 . . 1 . . . . 88 PHE CE2 . 6527 1 865 . 1 1 68 68 PHE CZ C 13 130.03 . . 1 . . . . 88 PHE CZ . 6527 1 866 . 1 1 68 68 PHE N N 15 117.44 . . 1 . . . . 88 PHE N . 6527 1 867 . 1 1 69 69 LEU H H 1 8.58 . . 1 . . . . 89 LEU H . 6527 1 868 . 1 1 69 69 LEU HA H 1 5.34 . . 1 . . . . 89 LEU HA . 6527 1 869 . 1 1 69 69 LEU HB2 H 1 1.62 . . 2 . . . . 89 LEU HB2 . 6527 1 870 . 1 1 69 69 LEU HB3 H 1 1.69 . . 2 . . . . 89 LEU HB3 . 6527 1 871 . 1 1 69 69 LEU HG H 1 1.70 . . 2 . . . . 89 LEU HG . 6527 1 872 . 1 1 69 69 LEU HD11 H 1 0.89 . . 2 . . . . 89 LEU HD11 . 6527 1 873 . 1 1 69 69 LEU HD12 H 1 0.89 . . 2 . . . . 89 LEU HD11 . 6527 1 874 . 1 1 69 69 LEU HD13 H 1 0.89 . . 2 . . . . 89 LEU HD11 . 6527 1 875 . 1 1 69 69 LEU HD21 H 1 0.84 . . 2 . . . . 89 LEU HD21 . 6527 1 876 . 1 1 69 69 LEU HD22 H 1 0.84 . . 2 . . . . 89 LEU HD21 . 6527 1 877 . 1 1 69 69 LEU HD23 H 1 0.84 . . 2 . . . . 89 LEU HD21 . 6527 1 878 . 1 1 69 69 LEU C C 13 174.09 . . 1 . . . . 89 LEU C . 6527 1 879 . 1 1 69 69 LEU CA C 13 54.11 . . 1 . . . . 89 LEU CA . 6527 1 880 . 1 1 69 69 LEU CB C 13 47.15 . . 1 . . . . 89 LEU CB . 6527 1 881 . 1 1 69 69 LEU CG C 13 27.41 . . 1 . . . . 89 LEU CG . 6527 1 882 . 1 1 69 69 LEU CD1 C 13 25.73 . . 1 . . . . 89 LEU CD1 . 6527 1 883 . 1 1 69 69 LEU CD2 C 13 26.74 . . 1 . . . . 89 LEU CD2 . 6527 1 884 . 1 1 69 69 LEU N N 15 123.52 . . 1 . . . . 89 LEU N . 6527 1 885 . 1 1 70 70 ARG H H 1 9.28 . . 1 . . . . 90 ARG H . 6527 1 886 . 1 1 70 70 ARG HA H 1 5.46 . . 1 . . . . 90 ARG HA . 6527 1 887 . 1 1 70 70 ARG HB2 H 1 2.01 . . 2 . . . . 90 ARG HB2 . 6527 1 888 . 1 1 70 70 ARG HB3 H 1 1.84 . . 2 . . . . 90 ARG HB3 . 6527 1 889 . 1 1 70 70 ARG HG2 H 1 1.75 . . 2 . . . . 90 ARG HG2 . 6527 1 890 . 1 1 70 70 ARG HG3 H 1 1.58 . . 2 . . . . 90 ARG HG3 . 6527 1 891 . 1 1 70 70 ARG HD2 H 1 3.35 . . 2 . . . . 90 ARG HD2 . 6527 1 892 . 1 1 70 70 ARG HD3 H 1 3.19 . . 2 . . . . 90 ARG HD3 . 6527 1 893 . 1 1 70 70 ARG C C 13 174.82 . . 1 . . . . 90 ARG C . 6527 1 894 . 1 1 70 70 ARG CA C 13 55.40 . . 1 . . . . 90 ARG CA . 6527 1 895 . 1 1 70 70 ARG CB C 13 34.84 . . 1 . . . . 90 ARG CB . 6527 1 896 . 1 1 70 70 ARG CG C 13 27.99 . . 1 . . . . 90 ARG CG . 6527 1 897 . 1 1 70 70 ARG CD C 13 44.07 . . 1 . . . . 90 ARG CD . 6527 1 898 . 1 1 70 70 ARG N N 15 123.01 . . 1 . . . . 90 ARG N . 6527 1 899 . 1 1 71 71 ILE H H 1 9.58 . . 1 . . . . 91 ILE H . 6527 1 900 . 1 1 71 71 ILE HA H 1 4.62 . . 1 . . . . 91 ILE HA . 6527 1 901 . 1 1 71 71 ILE HB H 1 1.88 . . 1 . . . . 91 ILE HB . 6527 1 902 . 1 1 71 71 ILE HG12 H 1 1.55 . . 2 . . . . 91 ILE HG12 . 6527 1 903 . 1 1 71 71 ILE HG13 H 1 0.88 . . 2 . . . . 91 ILE HG13 . 6527 1 904 . 1 1 71 71 ILE HG21 H 1 0.76 . . 1 . . . . 91 ILE HG21 . 6527 1 905 . 1 1 71 71 ILE HG22 H 1 0.76 . . 1 . . . . 91 ILE HG21 . 6527 1 906 . 1 1 71 71 ILE HG23 H 1 0.76 . . 1 . . . . 91 ILE HG21 . 6527 1 907 . 1 1 71 71 ILE HD11 H 1 0.62 . . 1 . . . . 91 ILE HD11 . 6527 1 908 . 1 1 71 71 ILE HD12 H 1 0.62 . . 1 . . . . 91 ILE HD11 . 6527 1 909 . 1 1 71 71 ILE HD13 H 1 0.62 . . 1 . . . . 91 ILE HD11 . 6527 1 910 . 1 1 71 71 ILE C C 13 174.27 . . 1 . . . . 91 ILE C . 6527 1 911 . 1 1 71 71 ILE CA C 13 60.39 . . 1 . . . . 91 ILE CA . 6527 1 912 . 1 1 71 71 ILE CB C 13 40.88 . . 1 . . . . 91 ILE CB . 6527 1 913 . 1 1 71 71 ILE CG1 C 13 27.63 . . 1 . . . . 91 ILE CG1 . 6527 1 914 . 1 1 71 71 ILE CG2 C 13 17.76 . . 1 . . . . 91 ILE CG2 . 6527 1 915 . 1 1 71 71 ILE CD1 C 13 14.93 . . 1 . . . . 91 ILE CD1 . 6527 1 916 . 1 1 71 71 ILE N N 15 124.86 . . 1 . . . . 91 ILE N . 6527 1 917 . 1 1 72 72 ARG H H 1 9.22 . . 1 . . . . 92 ARG H . 6527 1 918 . 1 1 72 72 ARG HA H 1 4.89 . . 1 . . . . 92 ARG HA . 6527 1 919 . 1 1 72 72 ARG HB2 H 1 1.50 . . 1 . . . . 92 ARG HB2 . 6527 1 920 . 1 1 72 72 ARG HB3 H 1 1.50 . . 1 . . . . 92 ARG HB3 . 6527 1 921 . 1 1 72 72 ARG HG2 H 1 1.66 . . 1 . . . . 92 ARG HG2 . 6527 1 922 . 1 1 72 72 ARG HG3 H 1 1.66 . . 1 . . . . 92 ARG HG3 . 6527 1 923 . 1 1 72 72 ARG HD2 H 1 3.16 . . 2 . . . . 92 ARG HD2 . 6527 1 924 . 1 1 72 72 ARG C C 13 174.01 . . 1 . . . . 92 ARG C . 6527 1 925 . 1 1 72 72 ARG CA C 13 55.62 . . 1 . . . . 92 ARG CA . 6527 1 926 . 1 1 72 72 ARG CB C 13 32.05 . . 1 . . . . 92 ARG CB . 6527 1 927 . 1 1 72 72 ARG CG C 13 27.89 . . 1 . . . . 92 ARG CG . 6527 1 928 . 1 1 72 72 ARG CD C 13 43.35 . . 1 . . . . 92 ARG CD . 6527 1 929 . 1 1 72 72 ARG N N 15 129.52 . . 1 . . . . 92 ARG N . 6527 1 930 . 1 1 73 73 SER H H 1 9.20 . . 1 . . . . 93 SER H . 6527 1 931 . 1 1 73 73 SER HA H 1 5.44 . . 1 . . . . 93 SER HA . 6527 1 932 . 1 1 73 73 SER HB2 H 1 3.66 . . 2 . . . . 93 SER HB2 . 6527 1 933 . 1 1 73 73 SER HB3 H 1 4.43 . . 2 . . . . 93 SER HB3 . 6527 1 934 . 1 1 73 73 SER C C 13 173.22 . . 1 . . . . 93 SER C . 6527 1 935 . 1 1 73 73 SER CA C 13 56.93 . . 1 . . . . 93 SER CA . 6527 1 936 . 1 1 73 73 SER CB C 13 66.73 . . 1 . . . . 93 SER CB . 6527 1 937 . 1 1 73 73 SER N N 15 125.03 . . 1 . . . . 93 SER N . 6527 1 938 . 1 1 74 74 LYS H H 1 8.21 . . 1 . . . . 94 LYS H . 6527 1 939 . 1 1 74 74 LYS HA H 1 4.12 . . 1 . . . . 94 LYS HA . 6527 1 940 . 1 1 74 74 LYS HB2 H 1 2.12 . . 2 . . . . 94 LYS HB2 . 6527 1 941 . 1 1 74 74 LYS HB3 H 1 2.00 . . 2 . . . . 94 LYS HB3 . 6527 1 942 . 1 1 74 74 LYS HG2 H 1 1.57 . . 2 . . . . 94 LYS HG2 . 6527 1 943 . 1 1 74 74 LYS HG3 H 1 1.43 . . 2 . . . . 94 LYS HG3 . 6527 1 944 . 1 1 74 74 LYS HD2 H 1 1.73 . . 1 . . . . 94 LYS HD2 . 6527 1 945 . 1 1 74 74 LYS HD3 H 1 1.73 . . 1 . . . . 94 LYS HD3 . 6527 1 946 . 1 1 74 74 LYS HE2 H 1 2.96 . . 1 . . . . 94 LYS HE2 . 6527 1 947 . 1 1 74 74 LYS HE3 H 1 2.96 . . 1 . . . . 94 LYS HE3 . 6527 1 948 . 1 1 74 74 LYS C C 13 178.36 . . 1 . . . . 94 LYS C . 6527 1 949 . 1 1 74 74 LYS CA C 13 59.32 . . 1 . . . . 94 LYS CA . 6527 1 950 . 1 1 74 74 LYS CB C 13 32.54 . . 1 . . . . 94 LYS CB . 6527 1 951 . 1 1 74 74 LYS CG C 13 25.59 . . 1 . . . . 94 LYS CG . 6527 1 952 . 1 1 74 74 LYS CD C 13 29.33 . . 1 . . . . 94 LYS CD . 6527 1 953 . 1 1 74 74 LYS CE C 13 42.04 . . 1 . . . . 94 LYS CE . 6527 1 954 . 1 1 74 74 LYS N N 15 118.45 . . 1 . . . . 94 LYS N . 6527 1 955 . 1 1 75 75 LYS H H 1 7.83 . . 1 . . . . 95 LYS H . 6527 1 956 . 1 1 75 75 LYS HA H 1 4.35 . . 1 . . . . 95 LYS HA . 6527 1 957 . 1 1 75 75 LYS HB2 H 1 1.43 . . 2 . . . . 95 LYS HB2 . 6527 1 958 . 1 1 75 75 LYS HB3 H 1 1.84 . . 2 . . . . 95 LYS HB3 . 6527 1 959 . 1 1 75 75 LYS HG2 H 1 1.24 . . 2 . . . . 95 LYS HG2 . 6527 1 960 . 1 1 75 75 LYS HG3 H 1 1.32 . . 2 . . . . 95 LYS HG3 . 6527 1 961 . 1 1 75 75 LYS HD2 H 1 1.50 . . 1 . . . . 95 LYS HD2 . 6527 1 962 . 1 1 75 75 LYS HD3 H 1 1.50 . . 1 . . . . 95 LYS HD3 . 6527 1 963 . 1 1 75 75 LYS HE2 H 1 2.73 . . 2 . . . . 95 LYS HE2 . 6527 1 964 . 1 1 75 75 LYS HE3 H 1 2.86 . . 2 . . . . 95 LYS HE3 . 6527 1 965 . 1 1 75 75 LYS C C 13 176.17 . . 1 . . . . 95 LYS C . 6527 1 966 . 1 1 75 75 LYS CA C 13 56.91 . . 1 . . . . 95 LYS CA . 6527 1 967 . 1 1 75 75 LYS CB C 13 35.47 . . 1 . . . . 95 LYS CB . 6527 1 968 . 1 1 75 75 LYS CG C 13 25.52 . . 1 . . . . 95 LYS CG . 6527 1 969 . 1 1 75 75 LYS CD C 13 29.30 . . 1 . . . . 95 LYS CD . 6527 1 970 . 1 1 75 75 LYS CE C 13 42.01 . . 1 . . . . 95 LYS CE . 6527 1 971 . 1 1 75 75 LYS N N 15 113.27 . . 1 . . . . 95 LYS N . 6527 1 972 . 1 1 76 76 ASN H H 1 7.69 . . 1 . . . . 96 ASN H . 6527 1 973 . 1 1 76 76 ASN HA H 1 4.64 . . 1 . . . . 96 ASN HA . 6527 1 974 . 1 1 76 76 ASN HB2 H 1 2.75 . . 2 . . . . 96 ASN HB2 . 6527 1 975 . 1 1 76 76 ASN HB3 H 1 3.15 . . 2 . . . . 96 ASN HB3 . 6527 1 976 . 1 1 76 76 ASN HD21 H 1 7.41 . . 2 . . . . 96 ASN HD21 . 6527 1 977 . 1 1 76 76 ASN HD22 H 1 6.35 . . 2 . . . . 96 ASN HD22 . 6527 1 978 . 1 1 76 76 ASN C C 13 172.78 . . 1 . . . . 96 ASN C . 6527 1 979 . 1 1 76 76 ASN CA C 13 52.76 . . 1 . . . . 96 ASN CA . 6527 1 980 . 1 1 76 76 ASN CB C 13 39.60 . . 1 . . . . 96 ASN CB . 6527 1 981 . 1 1 76 76 ASN N N 15 113.09 . . 1 . . . . 96 ASN N . 6527 1 982 . 1 1 76 76 ASN ND2 N 15 111.55 . . 2 . . . . 96 ASN ND2 . 6527 1 983 . 1 1 77 77 GLU H H 1 8.95 . . 1 . . . . 97 GLU H . 6527 1 984 . 1 1 77 77 GLU HA H 1 5.23 . . 1 . . . . 97 GLU HA . 6527 1 985 . 1 1 77 77 GLU HB2 H 1 1.91 . . 1 . . . . 97 GLU HB2 . 6527 1 986 . 1 1 77 77 GLU HB3 H 1 1.91 . . 1 . . . . 97 GLU HB3 . 6527 1 987 . 1 1 77 77 GLU HG2 H 1 2.08 . . 1 . . . . 97 GLU HG2 . 6527 1 988 . 1 1 77 77 GLU HG3 H 1 2.08 . . 1 . . . . 97 GLU HG3 . 6527 1 989 . 1 1 77 77 GLU C C 13 173.91 . . 1 . . . . 97 GLU C . 6527 1 990 . 1 1 77 77 GLU CA C 13 55.49 . . 1 . . . . 97 GLU CA . 6527 1 991 . 1 1 77 77 GLU CB C 13 33.97 . . 1 . . . . 97 GLU CB . 6527 1 992 . 1 1 77 77 GLU CG C 13 37.42 . . 1 . . . . 97 GLU CG . 6527 1 993 . 1 1 77 77 GLU N N 15 118.69 . . 1 . . . . 97 GLU N . 6527 1 994 . 1 1 78 78 ILE H H 1 9.01 . . 1 . . . . 98 ILE H . 6527 1 995 . 1 1 78 78 ILE HA H 1 5.06 . . 1 . . . . 98 ILE HA . 6527 1 996 . 1 1 78 78 ILE HB H 1 1.63 . . 1 . . . . 98 ILE HB . 6527 1 997 . 1 1 78 78 ILE HG12 H 1 0.90 . . 1 . . . . 98 ILE HG12 . 6527 1 998 . 1 1 78 78 ILE HG13 H 1 1.59 . . 1 . . . . 98 ILE HG13 . 6527 1 999 . 1 1 78 78 ILE HG21 H 1 0.77 . . 1 . . . . 98 ILE HG21 . 6527 1 1000 . 1 1 78 78 ILE HG22 H 1 0.77 . . 1 . . . . 98 ILE HG21 . 6527 1 1001 . 1 1 78 78 ILE HG23 H 1 0.77 . . 1 . . . . 98 ILE HG21 . 6527 1 1002 . 1 1 78 78 ILE HD11 H 1 0.82 . . 1 . . . . 98 ILE HD11 . 6527 1 1003 . 1 1 78 78 ILE HD12 H 1 0.82 . . 1 . . . . 98 ILE HD11 . 6527 1 1004 . 1 1 78 78 ILE HD13 H 1 0.82 . . 1 . . . . 98 ILE HD11 . 6527 1 1005 . 1 1 78 78 ILE C C 13 174.96 . . 1 . . . . 98 ILE C . 6527 1 1006 . 1 1 78 78 ILE CA C 13 59.88 . . 1 . . . . 98 ILE CA . 6527 1 1007 . 1 1 78 78 ILE CB C 13 41.41 . . 1 . . . . 98 ILE CB . 6527 1 1008 . 1 1 78 78 ILE CG1 C 13 27.68 . . 1 . . . . 98 ILE CG1 . 6527 1 1009 . 1 1 78 78 ILE CG2 C 13 18.25 . . 1 . . . . 98 ILE CG2 . 6527 1 1010 . 1 1 78 78 ILE CD1 C 13 14.28 . . 1 . . . . 98 ILE CD1 . 6527 1 1011 . 1 1 78 78 ILE N N 15 124.86 . . 1 . . . . 98 ILE N . 6527 1 1012 . 1 1 79 79 MET H H 1 9.40 . . 1 . . . . 99 MET H . 6527 1 1013 . 1 1 79 79 MET HA H 1 5.34 . . 1 . . . . 99 MET HA . 6527 1 1014 . 1 1 79 79 MET HB2 H 1 1.99 . . 1 . . . . 99 MET HB2 . 6527 1 1015 . 1 1 79 79 MET HB3 H 1 2.08 . . 1 . . . . 99 MET HB3 . 6527 1 1016 . 1 1 79 79 MET HG2 H 1 2.45 . . 1 . . . . 99 MET HG2 . 6527 1 1017 . 1 1 79 79 MET HG3 H 1 2.45 . . 1 . . . . 99 MET HG3 . 6527 1 1018 . 1 1 79 79 MET HE1 H 1 1.91 . . 1 . . . . 99 MET HE1 . 6527 1 1019 . 1 1 79 79 MET HE2 H 1 1.91 . . 1 . . . . 99 MET HE1 . 6527 1 1020 . 1 1 79 79 MET HE3 H 1 1.91 . . 1 . . . . 99 MET HE1 . 6527 1 1021 . 1 1 79 79 MET C C 13 174.69 . . 1 . . . . 99 MET C . 6527 1 1022 . 1 1 79 79 MET CA C 13 54.06 . . 1 . . . . 99 MET CA . 6527 1 1023 . 1 1 79 79 MET CB C 13 35.48 . . 1 . . . . 99 MET CB . 6527 1 1024 . 1 1 79 79 MET CG C 13 32.52 . . 1 . . . . 99 MET CG . 6527 1 1025 . 1 1 79 79 MET CE C 13 17.28 . . 1 . . . . 99 MET CE . 6527 1 1026 . 1 1 79 79 MET N N 15 127.52 . . 1 . . . . 99 MET N . 6527 1 1027 . 1 1 80 80 VAL H H 1 8.93 . . 1 . . . . 100 VAL H . 6527 1 1028 . 1 1 80 80 VAL HA H 1 5.33 . . 1 . . . . 100 VAL HA . 6527 1 1029 . 1 1 80 80 VAL HB H 1 1.95 . . 2 . . . . 100 VAL HB . 6527 1 1030 . 1 1 80 80 VAL HG11 H 1 0.82 . . 2 . . . . 100 VAL HG11 . 6527 1 1031 . 1 1 80 80 VAL HG12 H 1 0.82 . . 2 . . . . 100 VAL HG11 . 6527 1 1032 . 1 1 80 80 VAL HG13 H 1 0.82 . . 2 . . . . 100 VAL HG11 . 6527 1 1033 . 1 1 80 80 VAL HG21 H 1 0.88 . . 2 . . . . 100 VAL HG21 . 6527 1 1034 . 1 1 80 80 VAL HG22 H 1 0.88 . . 2 . . . . 100 VAL HG21 . 6527 1 1035 . 1 1 80 80 VAL HG23 H 1 0.88 . . 2 . . . . 100 VAL HG21 . 6527 1 1036 . 1 1 80 80 VAL C C 13 174.05 . . 1 . . . . 100 VAL C . 6527 1 1037 . 1 1 80 80 VAL CA C 13 60.38 . . 1 . . . . 100 VAL CA . 6527 1 1038 . 1 1 80 80 VAL CB C 13 34.55 . . 1 . . . . 100 VAL CB . 6527 1 1039 . 1 1 80 80 VAL CG1 C 13 21.98 . . 2 . . . . 100 VAL CG1 . 6527 1 1040 . 1 1 80 80 VAL CG2 C 13 21.46 . . 2 . . . . 100 VAL CG2 . 6527 1 1041 . 1 1 80 80 VAL N N 15 123.01 . . 1 . . . . 100 VAL N . 6527 1 1042 . 1 1 81 81 ALA H H 1 8.94 . . 1 . . . . 101 ALA H . 6527 1 1043 . 1 1 81 81 ALA HA H 1 5.24 . . 1 . . . . 101 ALA HA . 6527 1 1044 . 1 1 81 81 ALA HB1 H 1 1.53 . . 1 . . . . 101 ALA HB1 . 6527 1 1045 . 1 1 81 81 ALA HB2 H 1 1.53 . . 1 . . . . 101 ALA HB1 . 6527 1 1046 . 1 1 81 81 ALA HB3 H 1 1.53 . . 1 . . . . 101 ALA HB1 . 6527 1 1047 . 1 1 81 81 ALA C C 13 174.98 . . 1 . . . . 101 ALA C . 6527 1 1048 . 1 1 81 81 ALA CA C 13 48.64 . . 1 . . . . 101 ALA CA . 6527 1 1049 . 1 1 81 81 ALA CB C 13 21.64 . . 1 . . . . 101 ALA CB . 6527 1 1050 . 1 1 81 81 ALA N N 15 128.78 . . 1 . . . . 101 ALA N . 6527 1 1051 . 1 1 82 82 PRO HA H 1 4.56 . . 2 . . . . 102 PRO HA . 6527 1 1052 . 1 1 82 82 PRO HB2 H 1 2.03 . . 1 . . . . 102 PRO HB2 . 6527 1 1053 . 1 1 82 82 PRO HB3 H 1 2.10 . . 1 . . . . 102 PRO HB3 . 6527 1 1054 . 1 1 82 82 PRO HG2 H 1 1.74 . . 2 . . . . 102 PRO HG2 . 6527 1 1055 . 1 1 82 82 PRO HG3 H 1 1.99 . . 2 . . . . 102 PRO HG3 . 6527 1 1056 . 1 1 82 82 PRO HD2 H 1 3.56 . . 2 . . . . 102 PRO HD2 . 6527 1 1057 . 1 1 82 82 PRO HD3 H 1 4.05 . . 2 . . . . 102 PRO HD3 . 6527 1 1058 . 1 1 82 82 PRO C C 13 175.61 . . 1 . . . . 102 PRO C . 6527 1 1059 . 1 1 82 82 PRO CA C 13 62.32 . . 1 . . . . 102 PRO CA . 6527 1 1060 . 1 1 82 82 PRO CB C 13 32.48 . . 1 . . . . 102 PRO CB . 6527 1 1061 . 1 1 82 82 PRO CG C 13 27.04 . . 1 . . . . 102 PRO CG . 6527 1 1062 . 1 1 82 82 PRO CD C 13 51.11 . . 1 . . . . 102 PRO CD . 6527 1 1063 . 1 1 83 83 ASP H H 1 8.20 . . 1 . . . . 103 ASP H . 6527 1 1064 . 1 1 83 83 ASP HA H 1 4.56 . . 1 . . . . 103 ASP HA . 6527 1 1065 . 1 1 83 83 ASP HB2 H 1 2.29 . . 1 . . . . 103 ASP HB2 . 6527 1 1066 . 1 1 83 83 ASP C C 13 174.75 . . 1 . . . . 103 ASP C . 6527 1 1067 . 1 1 83 83 ASP CA C 13 53.82 . . 1 . . . . 103 ASP CA . 6527 1 1068 . 1 1 83 83 ASP CB C 13 43.30 . . 1 . . . . 103 ASP CB . 6527 1 1069 . 1 1 83 83 ASP N N 15 124.18 . . 1 . . . . 103 ASP N . 6527 1 1070 . 1 1 84 84 LYS H H 1 8.87 . . 1 . . . . 104 LYS H . 6527 1 1071 . 1 1 84 84 LYS HA H 1 3.70 . . 1 . . . . 104 LYS HA . 6527 1 1072 . 1 1 84 84 LYS HB2 H 1 1.79 . . 1 . . . . 104 LYS HB2 . 6527 1 1073 . 1 1 84 84 LYS HB3 H 1 1.79 . . 1 . . . . 104 LYS HB3 . 6527 1 1074 . 1 1 84 84 LYS HG2 H 1 1.32 . . 1 . . . . 104 LYS HG2 . 6527 1 1075 . 1 1 84 84 LYS HG3 H 1 1.37 . . 1 . . . . 104 LYS HG3 . 6527 1 1076 . 1 1 84 84 LYS HE2 H 1 2.93 . . 1 . . . . 104 LYS HE2 . 6527 1 1077 . 1 1 84 84 LYS HE3 H 1 2.93 . . 1 . . . . 104 LYS HE3 . 6527 1 1078 . 1 1 84 84 LYS C C 13 176.38 . . 1 . . . . 104 LYS C . 6527 1 1079 . 1 1 84 84 LYS CA C 13 58.79 . . 1 . . . . 104 LYS CA . 6527 1 1080 . 1 1 84 84 LYS CB C 13 30.42 . . 1 . . . . 104 LYS CB . 6527 1 1081 . 1 1 84 84 LYS CG C 13 24.79 . . 1 . . . . 104 LYS CG . 6527 1 1082 . 1 1 84 84 LYS CD C 13 28.98 . . 1 . . . . 104 LYS CD . 6527 1 1083 . 1 1 84 84 LYS CE C 13 42.04 . . 1 . . . . 104 LYS CE . 6527 1 1084 . 1 1 84 84 LYS N N 15 121.76 . . 1 . . . . 104 LYS N . 6527 1 1085 . 1 1 85 85 ASP H H 1 8.19 . . 1 . . . . 105 ASP H . 6527 1 1086 . 1 1 85 85 ASP HA H 1 4.56 . . 1 . . . . 105 ASP HA . 6527 1 1087 . 1 1 85 85 ASP HB2 H 1 2.62 . . 2 . . . . 105 ASP HB2 . 6527 1 1088 . 1 1 85 85 ASP HB3 H 1 2.50 . . 2 . . . . 105 ASP HB3 . 6527 1 1089 . 1 1 85 85 ASP C C 13 174.36 . . 1 . . . . 105 ASP C . 6527 1 1090 . 1 1 85 85 ASP CA C 13 54.19 . . 1 . . . . 105 ASP CA . 6527 1 1091 . 1 1 85 85 ASP CB C 13 40.70 . . 1 . . . . 105 ASP CB . 6527 1 1092 . 1 1 85 85 ASP N N 15 118.90 . . 1 . . . . 105 ASP N . 6527 1 1093 . 1 1 86 86 TYR H H 1 7.51 . . 1 . . . . 106 TYR H . 6527 1 1094 . 1 1 86 86 TYR HA H 1 5.09 . . 1 . . . . 106 TYR HA . 6527 1 1095 . 1 1 86 86 TYR HB2 H 1 3.00 . . 1 . . . . 106 TYR HB2 . 6527 1 1096 . 1 1 86 86 TYR HB3 H 1 2.85 . . 1 . . . . 106 TYR HB3 . 6527 1 1097 . 1 1 86 86 TYR HD1 H 1 6.79 . . 1 . . . . 106 TYR HD1 . 6527 1 1098 . 1 1 86 86 TYR HD2 H 1 6.79 . . 1 . . . . 106 TYR HD2 . 6527 1 1099 . 1 1 86 86 TYR HE1 H 1 6.66 . . 1 . . . . 106 TYR HE1 . 6527 1 1100 . 1 1 86 86 TYR HE2 H 1 6.66 . . 1 . . . . 106 TYR HE2 . 6527 1 1101 . 1 1 86 86 TYR C C 13 174.38 . . 1 . . . . 106 TYR C . 6527 1 1102 . 1 1 86 86 TYR CA C 13 55.28 . . 1 . . . . 106 TYR CA . 6527 1 1103 . 1 1 86 86 TYR CB C 13 40.57 . . 1 . . . . 106 TYR CB . 6527 1 1104 . 1 1 86 86 TYR CD1 C 13 132.89 . . 1 . . . . 106 TYR CD1 . 6527 1 1105 . 1 1 86 86 TYR CD2 C 13 132.89 . . 1 . . . . 106 TYR CD2 . 6527 1 1106 . 1 1 86 86 TYR CE1 C 13 118.13 . . 1 . . . . 106 TYR CE1 . 6527 1 1107 . 1 1 86 86 TYR CE2 C 13 118.13 . . 1 . . . . 106 TYR CE2 . 6527 1 1108 . 1 1 86 86 TYR N N 15 115.40 . . 1 . . . . 106 TYR N . 6527 1 1109 . 1 1 87 87 PHE H H 1 9.29 . . 1 . . . . 107 PHE H . 6527 1 1110 . 1 1 87 87 PHE HA H 1 5.01 . . 1 . . . . 107 PHE HA . 6527 1 1111 . 1 1 87 87 PHE HB2 H 1 2.80 . . 1 . . . . 107 PHE HB2 . 6527 1 1112 . 1 1 87 87 PHE HB3 H 1 2.68 . . 1 . . . . 107 PHE HB3 . 6527 1 1113 . 1 1 87 87 PHE HD1 H 1 6.90 . . 1 . . . . 107 PHE HD1 . 6527 1 1114 . 1 1 87 87 PHE HD2 H 1 6.90 . . 1 . . . . 107 PHE HD2 . 6527 1 1115 . 1 1 87 87 PHE HE1 H 1 7.16 . . 1 . . . . 107 PHE HE1 . 6527 1 1116 . 1 1 87 87 PHE HE2 H 1 7.16 . . 1 . . . . 107 PHE HE2 . 6527 1 1117 . 1 1 87 87 PHE HZ H 1 7.16 . . 1 . . . . 107 PHE HZ . 6527 1 1118 . 1 1 87 87 PHE C C 13 173.55 . . 1 . . . . 107 PHE C . 6527 1 1119 . 1 1 87 87 PHE CA C 13 56.96 . . 1 . . . . 107 PHE CA . 6527 1 1120 . 1 1 87 87 PHE CB C 13 41.65 . . 1 . . . . 107 PHE CB . 6527 1 1121 . 1 1 87 87 PHE CD1 C 13 131.48 . . 1 . . . . 107 PHE CD1 . 6527 1 1122 . 1 1 87 87 PHE CD2 C 13 131.48 . . 1 . . . . 107 PHE CD2 . 6527 1 1123 . 1 1 87 87 PHE CE1 C 13 131.12 . . 1 . . . . 107 PHE CE1 . 6527 1 1124 . 1 1 87 87 PHE CE2 C 13 131.12 . . 1 . . . . 107 PHE CE2 . 6527 1 1125 . 1 1 87 87 PHE CZ C 13 129.38 . . 1 . . . . 107 PHE CZ . 6527 1 1126 . 1 1 87 87 PHE N N 15 115.81 . . 1 . . . . 107 PHE N . 6527 1 1127 . 1 1 88 88 LEU H H 1 8.71 . . 1 . . . . 108 LEU H . 6527 1 1128 . 1 1 88 88 LEU HA H 1 4.88 . . 1 . . . . 108 LEU HA . 6527 1 1129 . 1 1 88 88 LEU HB2 H 1 1.66 . . 2 . . . . 108 LEU HB2 . 6527 1 1130 . 1 1 88 88 LEU HB3 H 1 1.77 . . 2 . . . . 108 LEU HB3 . 6527 1 1131 . 1 1 88 88 LEU HD11 H 1 0.87 . . 2 . . . . 108 LEU HD11 . 6527 1 1132 . 1 1 88 88 LEU HD12 H 1 0.87 . . 2 . . . . 108 LEU HD11 . 6527 1 1133 . 1 1 88 88 LEU HD13 H 1 0.87 . . 2 . . . . 108 LEU HD11 . 6527 1 1134 . 1 1 88 88 LEU HD21 H 1 0.84 . . 2 . . . . 108 LEU HD21 . 6527 1 1135 . 1 1 88 88 LEU HD22 H 1 0.84 . . 2 . . . . 108 LEU HD21 . 6527 1 1136 . 1 1 88 88 LEU HD23 H 1 0.84 . . 2 . . . . 108 LEU HD21 . 6527 1 1137 . 1 1 88 88 LEU C C 13 175.06 . . 1 . . . . 108 LEU C . 6527 1 1138 . 1 1 88 88 LEU CA C 13 54.59 . . 1 . . . . 108 LEU CA . 6527 1 1139 . 1 1 88 88 LEU CB C 13 44.20 . . 1 . . . . 108 LEU CB . 6527 1 1140 . 1 1 88 88 LEU CD1 C 13 25.21 . . 2 . . . . 108 LEU CD1 . 6527 1 1141 . 1 1 88 88 LEU CD2 C 13 25.58 . . 2 . . . . 108 LEU CD2 . 6527 1 1142 . 1 1 88 88 LEU N N 15 124.16 . . 1 . . . . 108 LEU N . 6527 1 1143 . 1 1 89 89 ILE H H 1 9.24 . . 1 . . . . 109 ILE H . 6527 1 1144 . 1 1 89 89 ILE HA H 1 4.90 . . 1 . . . . 109 ILE HA . 6527 1 1145 . 1 1 89 89 ILE HB H 1 2.02 . . 1 . . . . 109 ILE HB . 6527 1 1146 . 1 1 89 89 ILE HG12 H 1 0.89 . . 1 . . . . 109 ILE HG12 . 6527 1 1147 . 1 1 89 89 ILE HG13 H 1 0.89 . . 1 . . . . 109 ILE HG13 . 6527 1 1148 . 1 1 89 89 ILE HG21 H 1 0.70 . . 1 . . . . 109 ILE HG21 . 6527 1 1149 . 1 1 89 89 ILE HG22 H 1 0.70 . . 1 . . . . 109 ILE HG21 . 6527 1 1150 . 1 1 89 89 ILE HG23 H 1 0.70 . . 1 . . . . 109 ILE HG21 . 6527 1 1151 . 1 1 89 89 ILE HD11 H 1 0.80 . . 1 . . . . 109 ILE HD11 . 6527 1 1152 . 1 1 89 89 ILE HD12 H 1 0.80 . . 1 . . . . 109 ILE HD11 . 6527 1 1153 . 1 1 89 89 ILE HD13 H 1 0.80 . . 1 . . . . 109 ILE HD11 . 6527 1 1154 . 1 1 89 89 ILE C C 13 174.29 . . 1 . . . . 109 ILE C . 6527 1 1155 . 1 1 89 89 ILE CA C 13 60.63 . . 1 . . . . 109 ILE CA . 6527 1 1156 . 1 1 89 89 ILE CB C 13 39.49 . . 1 . . . . 109 ILE CB . 6527 1 1157 . 1 1 89 89 ILE CG1 C 13 27.62 . . 1 . . . . 109 ILE CG1 . 6527 1 1158 . 1 1 89 89 ILE CG2 C 13 17.83 . . 1 . . . . 109 ILE CG2 . 6527 1 1159 . 1 1 89 89 ILE CD1 C 13 15.20 . . 1 . . . . 109 ILE CD1 . 6527 1 1160 . 1 1 89 89 ILE N N 15 124.66 . . 1 . . . . 109 ILE N . 6527 1 1161 . 1 1 90 90 VAL H H 1 9.27 . . 1 . . . . 110 VAL H . 6527 1 1162 . 1 1 90 90 VAL HA H 1 4.63 . . 1 . . . . 110 VAL HA . 6527 1 1163 . 1 1 90 90 VAL HB H 1 2.03 . . 1 . . . . 110 VAL HB . 6527 1 1164 . 1 1 90 90 VAL HG11 H 1 0.92 . . 2 . . . . 110 VAL HG11 . 6527 1 1165 . 1 1 90 90 VAL HG12 H 1 0.92 . . 2 . . . . 110 VAL HG11 . 6527 1 1166 . 1 1 90 90 VAL HG13 H 1 0.92 . . 2 . . . . 110 VAL HG11 . 6527 1 1167 . 1 1 90 90 VAL HG21 H 1 0.92 . . 2 . . . . 110 VAL HG21 . 6527 1 1168 . 1 1 90 90 VAL HG22 H 1 0.92 . . 2 . . . . 110 VAL HG21 . 6527 1 1169 . 1 1 90 90 VAL HG23 H 1 0.92 . . 2 . . . . 110 VAL HG21 . 6527 1 1170 . 1 1 90 90 VAL C C 13 174.52 . . 1 . . . . 110 VAL C . 6527 1 1171 . 1 1 90 90 VAL CA C 13 61.38 . . 1 . . . . 110 VAL CA . 6527 1 1172 . 1 1 90 90 VAL CB C 13 34.69 . . 1 . . . . 110 VAL CB . 6527 1 1173 . 1 1 90 90 VAL CG1 C 13 21.85 . . 2 . . . . 110 VAL CG1 . 6527 1 1174 . 1 1 90 90 VAL CG2 C 13 21.54 . . 1 . . . . 110 VAL CG2 . 6527 1 1175 . 1 1 90 90 VAL N N 15 126.73 . . 1 . . . . 110 VAL N . 6527 1 1176 . 1 1 91 91 ILE H H 1 8.71 . . 1 . . . . 111 ILE H . 6527 1 1177 . 1 1 91 91 ILE HA H 1 4.67 . . 1 . . . . 111 ILE HA . 6527 1 1178 . 1 1 91 91 ILE HB H 1 1.47 . . 1 . . . . 111 ILE HB . 6527 1 1179 . 1 1 91 91 ILE HG12 H 1 1.11 . . 1 . . . . 111 ILE HG12 . 6527 1 1180 . 1 1 91 91 ILE HG13 H 1 1.11 . . 1 . . . . 111 ILE HG13 . 6527 1 1181 . 1 1 91 91 ILE HG21 H 1 0.71 . . 1 . . . . 111 ILE HG21 . 6527 1 1182 . 1 1 91 91 ILE HG22 H 1 0.71 . . 1 . . . . 111 ILE HG21 . 6527 1 1183 . 1 1 91 91 ILE HG23 H 1 0.71 . . 1 . . . . 111 ILE HG21 . 6527 1 1184 . 1 1 91 91 ILE HD11 H 1 0.18 . . 1 . . . . 111 ILE HD11 . 6527 1 1185 . 1 1 91 91 ILE HD12 H 1 0.18 . . 1 . . . . 111 ILE HD11 . 6527 1 1186 . 1 1 91 91 ILE HD13 H 1 0.18 . . 1 . . . . 111 ILE HD11 . 6527 1 1187 . 1 1 91 91 ILE C C 13 175.58 . . 1 . . . . 111 ILE C . 6527 1 1188 . 1 1 91 91 ILE CA C 13 61.06 . . 1 . . . . 111 ILE CA . 6527 1 1189 . 1 1 91 91 ILE CB C 13 39.21 . . 1 . . . . 111 ILE CB . 6527 1 1190 . 1 1 91 91 ILE CG1 C 13 28.76 . . 1 . . . . 111 ILE CG1 . 6527 1 1191 . 1 1 91 91 ILE CG2 C 13 18.85 . . 1 . . . . 111 ILE CG2 . 6527 1 1192 . 1 1 91 91 ILE CD1 C 13 14.44 . . 1 . . . . 111 ILE CD1 . 6527 1 1193 . 1 1 91 91 ILE N N 15 127.59 . . 1 . . . . 111 ILE N . 6527 1 1194 . 1 1 92 92 GLN H H 1 9.51 . . 1 . . . . 112 GLN H . 6527 1 1195 . 1 1 92 92 GLN HA H 1 5.25 . . 1 . . . . 112 GLN HA . 6527 1 1196 . 1 1 92 92 GLN HB2 H 1 2.07 . . 1 . . . . 112 GLN HB2 . 6527 1 1197 . 1 1 92 92 GLN HB3 H 1 1.99 . . 1 . . . . 112 GLN HB3 . 6527 1 1198 . 1 1 92 92 GLN HG2 H 1 2.20 . . 1 . . . . 112 GLN HG2 . 6527 1 1199 . 1 1 92 92 GLN HG3 H 1 2.20 . . 1 . . . . 112 GLN HG3 . 6527 1 1200 . 1 1 92 92 GLN HE21 H 1 6.47 . . 2 . . . . 112 GLN HE21 . 6527 1 1201 . 1 1 92 92 GLN HE22 H 1 7.15 . . 2 . . . . 112 GLN HE22 . 6527 1 1202 . 1 1 92 92 GLN C C 13 174.20 . . 1 . . . . 112 GLN C . 6527 1 1203 . 1 1 92 92 GLN CA C 13 53.89 . . 1 . . . . 112 GLN CA . 6527 1 1204 . 1 1 92 92 GLN CB C 13 33.72 . . 1 . . . . 112 GLN CB . 6527 1 1205 . 1 1 92 92 GLN CG C 13 33.30 . . 1 . . . . 112 GLN CG . 6527 1 1206 . 1 1 92 92 GLN N N 15 125.80 . . 1 . . . . 112 GLN N . 6527 1 1207 . 1 1 92 92 GLN NE2 N 15 108.66 . . 2 . . . . 112 GLN NE2 . 6527 1 1208 . 1 1 93 93 ASN H H 1 8.71 . . 1 . . . . 113 ASN H . 6527 1 1209 . 1 1 93 93 ASN HA H 1 4.94 . . 1 . . . . 113 ASN HA . 6527 1 1210 . 1 1 93 93 ASN HB2 H 1 2.90 . . 2 . . . . 113 ASN HB2 . 6527 1 1211 . 1 1 93 93 ASN HB3 H 1 2.71 . . 2 . . . . 113 ASN HB3 . 6527 1 1212 . 1 1 93 93 ASN HD21 H 1 6.84 . . 2 . . . . 113 ASN HD21 . 6527 1 1213 . 1 1 93 93 ASN HD22 H 1 7.54 . . 2 . . . . 113 ASN HD22 . 6527 1 1214 . 1 1 93 93 ASN C C 13 173.21 . . 1 . . . . 113 ASN C . 6527 1 1215 . 1 1 93 93 ASN CA C 13 51.51 . . 1 . . . . 113 ASN CA . 6527 1 1216 . 1 1 93 93 ASN CB C 13 37.80 . . 1 . . . . 113 ASN CB . 6527 1 1217 . 1 1 93 93 ASN N N 15 120.81 . . 1 . . . . 113 ASN N . 6527 1 1218 . 1 1 93 93 ASN ND2 N 15 110.85 . . 2 . . . . 113 ASN ND2 . 6527 1 1219 . 1 1 94 94 PRO HA H 1 4.37 . . 2 . . . . 114 PRO HA . 6527 1 1220 . 1 1 94 94 PRO HB2 H 1 2.22 . . 2 . . . . 114 PRO HB2 . 6527 1 1221 . 1 1 94 94 PRO HB3 H 1 1.90 . . 2 . . . . 114 PRO HB3 . 6527 1 1222 . 1 1 94 94 PRO HG2 H 1 2.01 . . 2 . . . . 114 PRO HG2 . 6527 1 1223 . 1 1 94 94 PRO HG3 H 1 1.93 . . 2 . . . . 114 PRO HG3 . 6527 1 1224 . 1 1 94 94 PRO HD2 H 1 3.66 . . 2 . . . . 114 PRO HD2 . 6527 1 1225 . 1 1 94 94 PRO HD3 H 1 3.75 . . 2 . . . . 114 PRO HD3 . 6527 1 1226 . 1 1 94 94 PRO C C 13 176.90 . . 1 . . . . 114 PRO C . 6527 1 1227 . 1 1 94 94 PRO CA C 13 63.36 . . 1 . . . . 114 PRO CA . 6527 1 1228 . 1 1 94 94 PRO CB C 13 31.89 . . 1 . . . . 114 PRO CB . 6527 1 1229 . 1 1 94 94 PRO CG C 13 27.45 . . 1 . . . . 114 PRO CG . 6527 1 1230 . 1 1 94 94 PRO CD C 13 50.34 . . 1 . . . . 114 PRO CD . 6527 1 1231 . 1 1 95 95 THR H H 1 8.23 . . 1 . . . . 115 THR H . 6527 1 1232 . 1 1 95 95 THR HA H 1 4.27 . . 2 . . . . 115 THR HA . 6527 1 1233 . 1 1 95 95 THR HB H 1 4.22 . . 2 . . . . 115 THR HB . 6527 1 1234 . 1 1 95 95 THR HG21 H 1 1.17 . . 1 . . . . 115 THR HG21 . 6527 1 1235 . 1 1 95 95 THR HG22 H 1 1.17 . . 1 . . . . 115 THR HG21 . 6527 1 1236 . 1 1 95 95 THR HG23 H 1 1.17 . . 1 . . . . 115 THR HG21 . 6527 1 1237 . 1 1 95 95 THR C C 13 173.69 . . 1 . . . . 115 THR C . 6527 1 1238 . 1 1 95 95 THR CA C 13 61.88 . . 1 . . . . 115 THR CA . 6527 1 1239 . 1 1 95 95 THR CB C 13 70.23 . . 1 . . . . 115 THR CB . 6527 1 1240 . 1 1 95 95 THR CG2 C 13 21.73 . . 1 . . . . 115 THR CG2 . 6527 1 1241 . 1 1 95 95 THR N N 15 115.19 . . 1 . . . . 115 THR N . 6527 1 1242 . 1 1 96 96 GLU H H 1 7.80 . . 1 . . . . 116 GLU H . 6527 1 1243 . 1 1 96 96 GLU HA H 1 4.09 . . 1 . . . . 116 GLU HA . 6527 1 1244 . 1 1 96 96 GLU C C 13 180.79 . . 1 . . . . 116 GLU C . 6527 1 1245 . 1 1 96 96 GLU CA C 13 58.09 . . 1 . . . . 116 GLU CA . 6527 1 1246 . 1 1 96 96 GLU CB C 13 31.29 . . 1 . . . . 116 GLU CB . 6527 1 1247 . 1 1 96 96 GLU CG C 13 36.62 . . 1 . . . . 116 GLU CG . 6527 1 1248 . 1 1 96 96 GLU N N 15 127.08 . . 1 . . . . 116 GLU N . 6527 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_coupling_list_1 _Coupling_constant_list.Entry_ID 6527 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600.13 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 2 $sample_1 isotropic 6527 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 4 4 VAL H H 1 . . 1 1 4 4 VAL HA H 1 . 4.35 . . 0.10 . . . . . . . . . . . 6527 1 2 3JHNHA . 1 1 6 6 GLU H H 1 . . 1 1 6 6 GLU HA H 1 . 4.73 . . 0.06 . . . . . . . . . . . 6527 1 3 3JHNHA . 1 1 7 7 THR H H 1 . . 1 1 7 7 THR HA H 1 . 3.86 . . 0.06 . . . . . . . . . . . 6527 1 4 3JHNHA . 1 1 8 8 LEU H H 1 . . 1 1 8 8 LEU HA H 1 . 3.13 . . 0.10 . . . . . . . . . . . 6527 1 5 3JHNHA . 1 1 9 9 LYS H H 1 . . 1 1 9 9 LYS HA H 1 . 3.32 . . 0.04 . . . . . . . . . . . 6527 1 6 3JHNHA . 1 1 10 10 ARG H H 1 . . 1 1 10 10 ARG HA H 1 . 4.49 . . 0.03 . . . . . . . . . . . 6527 1 7 3JHNHA . 1 1 14 14 GLN H H 1 . . 1 1 14 14 GLN HA H 1 . 5.86 . . 0.03 . . . . . . . . . . . 6527 1 8 3JHNHA . 1 1 15 15 LYS H H 1 . . 1 1 15 15 LYS HA H 1 . 3.21 . . 0.05 . . . . . . . . . . . 6527 1 9 3JHNHA . 1 1 17 17 VAL H H 1 . . 1 1 17 17 VAL HA H 1 . 4.84 . . 0.04 . . . . . . . . . . . 6527 1 10 3JHNHA . 1 1 18 18 GLN H H 1 . . 1 1 18 18 GLN HA H 1 . 8.06 . . 0.22 . . . . . . . . . . . 6527 1 11 3JHNHA . 1 1 22 22 VAL H H 1 . . 1 1 22 22 VAL HA H 1 . 7.13 . . 0.08 . . . . . . . . . . . 6527 1 12 3JHNHA . 1 1 24 24 ASN H H 1 . . 1 1 24 24 ASN HA H 1 . 7.30 . . 0.11 . . . . . . . . . . . 6527 1 13 3JHNHA . 1 1 25 25 THR H H 1 . . 1 1 25 25 THR HA H 1 . 3.88 . . 0.19 . . . . . . . . . . . 6527 1 14 3JHNHA . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU HA H 1 . 6.83 . . 0.04 . . . . . . . . . . . 6527 1 15 3JHNHA . 1 1 28 28 ILE H H 1 . . 1 1 28 28 ILE HA H 1 . 6.38 . . 0.05 . . . . . . . . . . . 6527 1 16 3JHNHA . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS HA H 1 . 5.17 . . 0.05 . . . . . . . . . . . 6527 1 17 3JHNHA . 1 1 32 32 SER H H 1 . . 1 1 32 32 SER HA H 1 . 5.38 . . 0.07 . . . . . . . . . . . 6527 1 18 3JHNHA . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR HA H 1 . 8.27 . . 0.10 . . . . . . . . . . . 6527 1 19 3JHNHA . 1 1 34 34 MET H H 1 . . 1 1 34 34 MET HA H 1 . 8.01 . . 0.06 . . . . . . . . . . . 6527 1 20 3JHNHA . 1 1 35 35 ASP H H 1 . . 1 1 35 35 ASP HA H 1 . 3.89 . . 0.06 . . . . . . . . . . . 6527 1 21 3JHNHA . 1 1 38 38 THR H H 1 . . 1 1 38 38 THR HA H 1 . 3.84 . . 0.14 . . . . . . . . . . . 6527 1 22 3JHNHA . 1 1 39 39 THR H H 1 . . 1 1 39 39 THR HA H 1 . 3.23 . . 0.17 . . . . . . . . . . . 6527 1 23 3JHNHA . 1 1 41 41 GLN H H 1 . . 1 1 41 41 GLN HA H 1 . 3.87 . . 0.07 . . . . . . . . . . . 6527 1 24 3JHNHA . 1 1 43 43 ALA H H 1 . . 1 1 43 43 ALA HA H 1 . 2.50 . . 0.10 . . . . . . . . . . . 6527 1 25 3JHNHA . 1 1 44 44 SER H H 1 . . 1 1 44 44 SER HA H 1 . 4.07 . . 0.06 . . . . . . . . . . . 6527 1 26 3JHNHA . 1 1 46 46 MET H H 1 . . 1 1 46 46 MET HA H 1 . 4.38 . . 0.30 . . . . . . . . . . . 6527 1 27 3JHNHA . 1 1 47 47 HIS H H 1 . . 1 1 47 47 HIS HA H 1 . 2.44 . . 0.20 . . . . . . . . . . . 6527 1 28 3JHNHA . 1 1 48 48 SER H H 1 . . 1 1 48 48 SER HA H 1 . 2.40 . . 0.15 . . . . . . . . . . . 6527 1 29 3JHNHA . 1 1 49 49 PHE H H 1 . . 1 1 49 49 PHE HA H 1 . 3.83 . . 0.15 . . . . . . . . . . . 6527 1 30 3JHNHA . 1 1 50 50 ILE H H 1 . . 1 1 50 50 ILE HA H 1 . 3.69 . . 0.24 . . . . . . . . . . . 6527 1 31 3JHNHA . 1 1 51 51 LEU H H 1 . . 1 1 51 51 LEU HA H 1 . 3.23 . . 0.16 . . . . . . . . . . . 6527 1 32 3JHNHA . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS HA H 1 . 4.38 . . 0.13 . . . . . . . . . . . 6527 1 33 3JHNHA . 1 1 53 53 ALA H H 1 . . 1 1 53 53 ALA HA H 1 . 3.11 . . 0.11 . . . . . . . . . . . 6527 1 34 3JHNHA . 1 1 54 54 ARG H H 1 . . 1 1 54 54 ARG HA H 1 . 2.96 . . 0.10 . . . . . . . . . . . 6527 1 35 3JHNHA . 1 1 55 55 SER H H 1 . . 1 1 55 55 SER HA H 1 . 3.64 . . 0.08 . . . . . . . . . . . 6527 1 36 3JHNHA . 1 1 56 56 THR H H 1 . . 1 1 56 56 THR HA H 1 . 3.49 . . 0.17 . . . . . . . . . . . 6527 1 37 3JHNHA . 1 1 57 57 VAL H H 1 . . 1 1 57 57 VAL HA H 1 . 3.56 . . 0.31 . . . . . . . . . . . 6527 1 38 3JHNHA . 1 1 60 60 ILE H H 1 . . 1 1 60 60 ILE HA H 1 . 6.25 . . 0.11 . . . . . . . . . . . 6527 1 39 3JHNHA . 1 1 61 61 ASP H H 1 . . 1 1 61 61 ASP HA H 1 . 6.76 . . 0.09 . . . . . . . . . . . 6527 1 40 3JHNHA . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP HA H 1 . 5.31 . . 0.06 . . . . . . . . . . . 6527 1 41 3JHNHA . 1 1 67 67 THR H H 1 . . 1 1 67 67 THR HA H 1 . 8.58 . . 0.40 . . . . . . . . . . . 6527 1 42 3JHNHA . 1 1 68 68 PHE H H 1 . . 1 1 68 68 PHE HA H 1 . 4.58 . . 0.14 . . . . . . . . . . . 6527 1 43 3JHNHA . 1 1 69 69 LEU H H 1 . . 1 1 69 69 LEU HA H 1 . 6.83 . . 0.22 . . . . . . . . . . . 6527 1 44 3JHNHA . 1 1 70 70 ARG H H 1 . . 1 1 70 70 ARG HA H 1 . 6.75 . . 0.15 . . . . . . . . . . . 6527 1 45 3JHNHA . 1 1 71 71 ILE H H 1 . . 1 1 71 71 ILE HA H 1 . 7.16 . . 0.12 . . . . . . . . . . . 6527 1 46 3JHNHA . 1 1 72 72 ARG H H 1 . . 1 1 72 72 ARG HA H 1 . 6.90 . . 0.21 . . . . . . . . . . . 6527 1 47 3JHNHA . 1 1 73 73 SER H H 1 . . 1 1 73 73 SER HA H 1 . 7.70 . . 0.13 . . . . . . . . . . . 6527 1 48 3JHNHA . 1 1 74 74 LYS H H 1 . . 1 1 74 74 LYS HA H 1 . 3.63 . . 0.15 . . . . . . . . . . . 6527 1 49 3JHNHA . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS HA H 1 . 7.16 . . 0.08 . . . . . . . . . . . 6527 1 50 3JHNHA . 1 1 76 76 ASN H H 1 . . 1 1 76 76 ASN HA H 1 . 4.13 . . 0.04 . . . . . . . . . . . 6527 1 51 3JHNHA . 1 1 77 77 GLU H H 1 . . 1 1 77 77 GLU HA H 1 . 6.31 . . 0.10 . . . . . . . . . . . 6527 1 52 3JHNHA . 1 1 78 78 ILE H H 1 . . 1 1 78 78 ILE HA H 1 . 7.63 . . 0.12 . . . . . . . . . . . 6527 1 53 3JHNHA . 1 1 79 79 MET H H 1 . . 1 1 79 79 MET HA H 1 . 7.88 . . 0.14 . . . . . . . . . . . 6527 1 54 3JHNHA . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA HA H 1 . 6.99 . . 0.08 . . . . . . . . . . . 6527 1 55 3JHNHA . 1 1 83 83 ASP H H 1 . . 1 1 83 83 ASP HA H 1 . 7.30 . . 0.08 . . . . . . . . . . . 6527 1 56 3JHNHA . 1 1 84 84 LYS H H 1 . . 1 1 84 84 LYS HA H 1 . 5.01 . . 0.05 . . . . . . . . . . . 6527 1 57 3JHNHA . 1 1 85 85 ASP H H 1 . . 1 1 85 85 ASP HA H 1 . 8.00 . . 0.11 . . . . . . . . . . . 6527 1 58 3JHNHA . 1 1 86 86 TYR H H 1 . . 1 1 86 86 TYR HA H 1 . 6.19 . . 0.04 . . . . . . . . . . . 6527 1 59 3JHNHA . 1 1 87 87 PHE H H 1 . . 1 1 87 87 PHE HA H 1 . 7.37 . . 0.13 . . . . . . . . . . . 6527 1 60 3JHNHA . 1 1 88 88 LEU H H 1 . . 1 1 88 88 LEU HA H 1 . 7.48 . . 0.13 . . . . . . . . . . . 6527 1 61 3JHNHA . 1 1 90 90 VAL H H 1 . . 1 1 90 90 VAL HA H 1 . 7.90 . . 0.12 . . . . . . . . . . . 6527 1 62 3JHNHA . 1 1 91 91 ILE H H 1 . . 1 1 91 91 ILE HA H 1 . 6.76 . . 0.11 . . . . . . . . . . . 6527 1 63 3JHNHA . 1 1 92 92 GLN H H 1 . . 1 1 92 92 GLN HA H 1 . 6.87 . . 0.10 . . . . . . . . . . . 6527 1 64 3JHNHA . 1 1 93 93 ASN H H 1 . . 1 1 93 93 ASN HA H 1 . 4.35 . . 0.05 . . . . . . . . . . . 6527 1 65 3JHNHA . 1 1 95 95 THR H H 1 . . 1 1 95 95 THR HA H 1 . 7.39 . . 0.01 . . . . . . . . . . . 6527 1 stop_ save_