data_18459 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18459 _Entry.Title ; N0 domain of Neisseria meningitidis Pilus assembly protein PilQ ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-11 _Entry.Accession_date 2012-05-11 _Entry.Last_release_date 2013-01-03 _Entry.Original_release_date 2013-01-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marie Phelan . M. . 18459 2 J. Berry . L. . 18459 3 J. Derrick . P. . 18459 4 L. Lian . Y. . 18459 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18459 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . PhelanGroup . 18459 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID N0 . 18459 'Niesseria meningitidis' . 18459 PilQ . 18459 pilus . 18459 secretin . 18459 'SECRETIN TYPE II SECRETION SYSTEM' . 18459 TRANSPORT . 18459 'type II secretion system' . 18459 'Type IV pili' . 18459 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18459 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 18459 '15N chemical shifts' 133 18459 '1H chemical shifts' 869 18459 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 . . 2013-01-03 2012-05-11 original author . 18459 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4AR0 'BMRB Entry Tracking System' 18459 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18459 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23028322 _Citation.Full_citation . _Citation.Title 'Structure and assembly of a trans-periplasmic channel for type IV pili in Neisseria meningitidis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 8 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _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 Jamie-Lee Berry . . . 18459 1 2 Marie Phelan . M. . 18459 1 3 Richard Collins . F. . 18459 1 4 Tomas Adomavicius . . . 18459 1 5 Tone Tnjum . . . 18459 1 6 Stefan Frye . A. . 18459 1 7 Louise Bird . . . 18459 1 8 Ray Owens . . . 18459 1 9 Robert Ford . C. . 18459 1 10 Lu-Yun Lian . . . 18459 1 11 Jeremy Derrick . P. . 18459 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18459 _Assembly.ID 1 _Assembly.Name 'N0 domain of Neisseria meningitidis Pilus assembly protein PilQ' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 14465.3886 _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 'TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P' 1 $TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P A . yes native no no . . . 18459 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P _Entity.Sf_category entity _Entity.Sf_framecode TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P _Entity.Entry_ID 18459 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKHHHHHHPMSDYDIPTTEN LYFEGAMGFTGRKISLDFQD VEIRTILQILAKESGMNIVA SDSVNGKMTLSLKDVPWDQA LDLVMQARNLDMRQQGNIVN IAPRDELLAKDKAFLQAEKD IADLGALY ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment N0 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14465.3886 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP PILQ_NEIMB . Q70M91 . . . "conserved variant at 428. L428F" . . . . . . . . . . 18459 1 2 no BMRB 18428 . PilQ_N0N1 . . . . . 81.25 237 97.12 97.12 9.36e-63 . . . . 18459 1 3 no PDB 4AR0 . "N0 Domain Of Neisseria Meningitidis Pilus Assembly Protein Pilq" . . . . . 98.44 128 100.00 100.00 1.54e-86 . . . . 18459 1 4 no EMBL CAM09716 . "pilus secretin [Neisseria meningitidis FAM18]" . . . . . 77.34 589 100.00 100.00 1.25e-57 . . . . 18459 1 5 no EMBL CKK77493 . "type IV pilus secretin PilQ [Neisseria meningitidis]" . . . . . 78.13 434 100.00 100.00 1.30e-59 . . . . 18459 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 . 18459 1 2 . LYS . 18459 1 3 . HIS . 18459 1 4 . HIS . 18459 1 5 . HIS . 18459 1 6 . HIS . 18459 1 7 . HIS . 18459 1 8 . HIS . 18459 1 9 . PRO . 18459 1 10 . MET . 18459 1 11 . SER . 18459 1 12 . ASP . 18459 1 13 . TYR . 18459 1 14 . ASP . 18459 1 15 . ILE . 18459 1 16 . PRO . 18459 1 17 . THR . 18459 1 18 . THR . 18459 1 19 . GLU . 18459 1 20 . ASN . 18459 1 21 . LEU . 18459 1 22 . TYR . 18459 1 23 . PHE . 18459 1 24 . GLU . 18459 1 25 . GLY . 18459 1 26 . ALA . 18459 1 27 . MET . 18459 1 28 . GLY . 18459 1 29 . PHE . 18459 1 30 . THR . 18459 1 31 . GLY . 18459 1 32 . ARG . 18459 1 33 . LYS . 18459 1 34 . ILE . 18459 1 35 . SER . 18459 1 36 . LEU . 18459 1 37 . ASP . 18459 1 38 . PHE . 18459 1 39 . GLN . 18459 1 40 . ASP . 18459 1 41 . VAL . 18459 1 42 . GLU . 18459 1 43 . ILE . 18459 1 44 . ARG . 18459 1 45 . THR . 18459 1 46 . ILE . 18459 1 47 . LEU . 18459 1 48 . GLN . 18459 1 49 . ILE . 18459 1 50 . LEU . 18459 1 51 . ALA . 18459 1 52 . LYS . 18459 1 53 . GLU . 18459 1 54 . SER . 18459 1 55 . GLY . 18459 1 56 . MET . 18459 1 57 . ASN . 18459 1 58 . ILE . 18459 1 59 . VAL . 18459 1 60 . ALA . 18459 1 61 . SER . 18459 1 62 . ASP . 18459 1 63 . SER . 18459 1 64 . VAL . 18459 1 65 . ASN . 18459 1 66 . GLY . 18459 1 67 . LYS . 18459 1 68 . MET . 18459 1 69 . THR . 18459 1 70 . LEU . 18459 1 71 . SER . 18459 1 72 . LEU . 18459 1 73 . LYS . 18459 1 74 . ASP . 18459 1 75 . VAL . 18459 1 76 . PRO . 18459 1 77 . TRP . 18459 1 78 . ASP . 18459 1 79 . GLN . 18459 1 80 . ALA . 18459 1 81 . LEU . 18459 1 82 . ASP . 18459 1 83 . LEU . 18459 1 84 . VAL . 18459 1 85 . MET . 18459 1 86 . GLN . 18459 1 87 . ALA . 18459 1 88 . ARG . 18459 1 89 . ASN . 18459 1 90 . LEU . 18459 1 91 . ASP . 18459 1 92 . MET . 18459 1 93 . ARG . 18459 1 94 . GLN . 18459 1 95 . GLN . 18459 1 96 . GLY . 18459 1 97 . ASN . 18459 1 98 . ILE . 18459 1 99 . VAL . 18459 1 100 . ASN . 18459 1 101 . ILE . 18459 1 102 . ALA . 18459 1 103 . PRO . 18459 1 104 . ARG . 18459 1 105 . ASP . 18459 1 106 . GLU . 18459 1 107 . LEU . 18459 1 108 . LEU . 18459 1 109 . ALA . 18459 1 110 . LYS . 18459 1 111 . ASP . 18459 1 112 . LYS . 18459 1 113 . ALA . 18459 1 114 . PHE . 18459 1 115 . LEU . 18459 1 116 . GLN . 18459 1 117 . ALA . 18459 1 118 . GLU . 18459 1 119 . LYS . 18459 1 120 . ASP . 18459 1 121 . ILE . 18459 1 122 . ALA . 18459 1 123 . ASP . 18459 1 124 . LEU . 18459 1 125 . GLY . 18459 1 126 . ALA . 18459 1 127 . LEU . 18459 1 128 . TYR . 18459 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 18459 1 . LYS 2 2 18459 1 . HIS 3 3 18459 1 . HIS 4 4 18459 1 . HIS 5 5 18459 1 . HIS 6 6 18459 1 . HIS 7 7 18459 1 . HIS 8 8 18459 1 . PRO 9 9 18459 1 . MET 10 10 18459 1 . SER 11 11 18459 1 . ASP 12 12 18459 1 . TYR 13 13 18459 1 . ASP 14 14 18459 1 . ILE 15 15 18459 1 . PRO 16 16 18459 1 . THR 17 17 18459 1 . THR 18 18 18459 1 . GLU 19 19 18459 1 . ASN 20 20 18459 1 . LEU 21 21 18459 1 . TYR 22 22 18459 1 . PHE 23 23 18459 1 . GLU 24 24 18459 1 . GLY 25 25 18459 1 . ALA 26 26 18459 1 . MET 27 27 18459 1 . GLY 28 28 18459 1 . PHE 29 29 18459 1 . THR 30 30 18459 1 . GLY 31 31 18459 1 . ARG 32 32 18459 1 . LYS 33 33 18459 1 . ILE 34 34 18459 1 . SER 35 35 18459 1 . LEU 36 36 18459 1 . ASP 37 37 18459 1 . PHE 38 38 18459 1 . GLN 39 39 18459 1 . ASP 40 40 18459 1 . VAL 41 41 18459 1 . GLU 42 42 18459 1 . ILE 43 43 18459 1 . ARG 44 44 18459 1 . THR 45 45 18459 1 . ILE 46 46 18459 1 . LEU 47 47 18459 1 . GLN 48 48 18459 1 . ILE 49 49 18459 1 . LEU 50 50 18459 1 . ALA 51 51 18459 1 . LYS 52 52 18459 1 . GLU 53 53 18459 1 . SER 54 54 18459 1 . GLY 55 55 18459 1 . MET 56 56 18459 1 . ASN 57 57 18459 1 . ILE 58 58 18459 1 . VAL 59 59 18459 1 . ALA 60 60 18459 1 . SER 61 61 18459 1 . ASP 62 62 18459 1 . SER 63 63 18459 1 . VAL 64 64 18459 1 . ASN 65 65 18459 1 . GLY 66 66 18459 1 . LYS 67 67 18459 1 . MET 68 68 18459 1 . THR 69 69 18459 1 . LEU 70 70 18459 1 . SER 71 71 18459 1 . LEU 72 72 18459 1 . LYS 73 73 18459 1 . ASP 74 74 18459 1 . VAL 75 75 18459 1 . PRO 76 76 18459 1 . TRP 77 77 18459 1 . ASP 78 78 18459 1 . GLN 79 79 18459 1 . ALA 80 80 18459 1 . LEU 81 81 18459 1 . ASP 82 82 18459 1 . LEU 83 83 18459 1 . VAL 84 84 18459 1 . MET 85 85 18459 1 . GLN 86 86 18459 1 . ALA 87 87 18459 1 . ARG 88 88 18459 1 . ASN 89 89 18459 1 . LEU 90 90 18459 1 . ASP 91 91 18459 1 . MET 92 92 18459 1 . ARG 93 93 18459 1 . GLN 94 94 18459 1 . GLN 95 95 18459 1 . GLY 96 96 18459 1 . ASN 97 97 18459 1 . ILE 98 98 18459 1 . VAL 99 99 18459 1 . ASN 100 100 18459 1 . ILE 101 101 18459 1 . ALA 102 102 18459 1 . PRO 103 103 18459 1 . ARG 104 104 18459 1 . ASP 105 105 18459 1 . GLU 106 106 18459 1 . LEU 107 107 18459 1 . LEU 108 108 18459 1 . ALA 109 109 18459 1 . LYS 110 110 18459 1 . ASP 111 111 18459 1 . LYS 112 112 18459 1 . ALA 113 113 18459 1 . PHE 114 114 18459 1 . LEU 115 115 18459 1 . GLN 116 116 18459 1 . ALA 117 117 18459 1 . GLU 118 118 18459 1 . LYS 119 119 18459 1 . ASP 120 120 18459 1 . ILE 121 121 18459 1 . ALA 122 122 18459 1 . ASP 123 123 18459 1 . LEU 124 124 18459 1 . GLY 125 125 18459 1 . ALA 126 126 18459 1 . LEU 127 127 18459 1 . TYR 128 128 18459 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 18459 _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 $TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P . 487 organism . 'Neisseria meningitidis' b-proteobacteria . . Bacteria Neisseria Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 18459 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 18459 _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 $TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pETM11 . . pETM11 . . . 'non-biological sequence residues 315-342. MKHHHHHHPMSDYDIPTTENLYFEGAMG' . . 18459 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18459 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N0 500uM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% water/90% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TYPE IV PILUS BIOGENESIS AND COMPETENCE PROTEIN P' '[U-13C; U-15N]' . . 1 $TYPE_IV_PILUS_BIOGENESIS_AND_COMPETENCE_PROTEIN_P . . 0.5 . . mM . . . . 18459 1 2 H2O 'natural abundance' . . . . . . 10 . . % . . . . 18459 1 3 D2O 'natural abundance' . . . . . . 90 . . % . . . . 18459 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18459 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.8], temp [298], pressure [1], ionStrength [100.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100.000 . mM 18459 1 pH 6.800 . pH 18459 1 pressure 1.000 . atm 18459 1 temperature 298.000 . K 18459 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18459 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18459 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18459 1 stop_ save_ save_CCPN_analysis _Software.Sf_category software _Software.Sf_framecode CCPN_analysis _Software.Entry_ID 18459 _Software.ID 2 _Software.Name CCPN_analysis _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18459 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18459 2 stop_ save_ save_CNS1.2 _Software.Sf_category software _Software.Sf_framecode CNS1.2 _Software.Entry_ID 18459 _Software.ID 3 _Software.Name CNS1.2 _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18459 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18459 3 stop_ save_ save_CYANA2.1 _Software.Sf_category software _Software.Sf_framecode CYANA2.1 _Software.Entry_ID 18459 _Software.ID 4 _Software.Name CYANA2.1 _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18459 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18459 4 stop_ save_ save_TALOSPLUS _Software.Sf_category software _Software.Sf_framecode TALOSPLUS _Software.Entry_ID 18459 _Software.ID 5 _Software.Name TALOSPLUS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18459 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18459 5 stop_ save_ save_Topspin2.1 _Software.Sf_category software _Software.Sf_framecode Topspin2.1 _Software.Entry_ID 18459 _Software.ID 6 _Software.Name Topspin2.1 _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18459 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18459 6 stop_ save_ save_CYANA2.1_and_CNS1.2_water_refinement _Method.Sf_category method _Method.Sf_framecode CYANA2.1_and_CNS1.2_water_refinement _Method.Entry_ID 18459 _Method.ID 1 _Method.Derivation_type . _Method.Details 'CYANA2.1 and CNS1.2 water refinement' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18459 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18459 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18459 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18459 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 18459 1 2 spectrometer_2 Bruker Avance . 600 . . . 18459 1 3 spectrometer_3 Bruker AVANCE . 600 . . . 18459 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18459 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 3 '3D HN(CA)CO 3D HNCO' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 6 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 7 '2D hbCBcgcdHD' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 8 '2D ali 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 9 '2D aro 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 10 '3D ali HC-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 11 '3D aro HC-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 12 '3D HN-NOESY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18459 1 13 '3D ali HCcH-TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18459 1 14 '3D aro HCcH-TOCSY' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18459 1 15 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18459 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18459 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1.000000000 . . . . . . . . . 18459 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18459 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4ar0/ebi/190412_3.str.csh' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' 1 $sample_1 solution 18459 1 2 '3D HNCACB' 1 $sample_1 solution 18459 1 3 '3D HN(CA)CO 3D HNCO' 1 $sample_1 solution 18459 1 4 '2D 1H-15N HSQC' 1 $sample_1 solution 18459 1 5 '3D HBHA(CO)NH' 1 $sample_1 solution 18459 1 6 '3D HBHANH' 1 $sample_1 solution 18459 1 7 '2D hbCBcgcdHD' 1 $sample_1 solution 18459 1 8 '2D ali 1H-13C HSQC' 1 $sample_1 solution 18459 1 9 '2D aro 1H-13C HSQC' 1 $sample_1 solution 18459 1 10 '3D ali HC-NOESY' 1 $sample_1 solution 18459 1 11 '3D aro HC-NOESY' 1 $sample_1 solution 18459 1 12 '3D HN-NOESY' 1 $sample_1 solution 18459 1 13 '3D ali HCcH-TOCSY' 1 $sample_1 solution 18459 1 14 '3D aro HCcH-TOCSY' 1 $sample_1 solution 18459 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 PRO HA H 1 4.315 0.004 . 1 . 5 . . 9 PRO HA . 18459 1 2 . 1 1 9 9 PRO HB2 H 1 1.842 0.003 . 2 . 6 . . 9 PRO HB2 . 18459 1 3 . 1 1 9 9 PRO HB3 H 1 2.195 0.007 . 2 . 7 . . 9 PRO HB3 . 18459 1 4 . 1 1 9 9 PRO HG2 H 1 1.891 0.001 . 2 . 10 . . 9 PRO HG2 . 18459 1 5 . 1 1 9 9 PRO HG3 H 1 1.884 0.003 . 2 . 11 . . 9 PRO HG3 . 18459 1 6 . 1 1 9 9 PRO HD2 H 1 3.388 0.008 . 2 . 8 . . 9 PRO HD2 . 18459 1 7 . 1 1 9 9 PRO HD3 H 1 3.562 0.007 . 2 . 9 . . 9 PRO HD3 . 18459 1 8 . 1 1 9 9 PRO CA C 13 63.388 0.012 . 1 . 1 . . 9 PRO CA . 18459 1 9 . 1 1 9 9 PRO CB C 13 32.010 0.031 . 1 . 2 . . 9 PRO CB . 18459 1 10 . 1 1 9 9 PRO CG C 13 27.321 0.015 . 1 . 4 . . 9 PRO CG . 18459 1 11 . 1 1 9 9 PRO CD C 13 50.549 0.01 . 1 . 3 . . 9 PRO CD . 18459 1 12 . 1 1 10 10 MET H H 1 8.655 0.002 . 1 . 15 . . 10 MET H . 18459 1 13 . 1 1 10 10 MET HA H 1 4.424 0.003 . 1 . 16 . . 10 MET HA . 18459 1 14 . 1 1 10 10 MET HB2 H 1 1.937 0.005 . 2 . 17 . . 10 MET HB2 . 18459 1 15 . 1 1 10 10 MET HB3 H 1 2.061 0.006 . 2 . 18 . . 10 MET HB3 . 18459 1 16 . 1 1 10 10 MET HG2 H 1 2.536 0.008 . 2 . 19 . . 10 MET HG2 . 18459 1 17 . 1 1 10 10 MET HG3 H 1 2.475 0.006 . 2 . 20 . . 10 MET HG3 . 18459 1 18 . 1 1 10 10 MET CA C 13 55.562 0.014 . 1 . 12 . . 10 MET CA . 18459 1 19 . 1 1 10 10 MET CB C 13 32.645 0.008 . 1 . 13 . . 10 MET CB . 18459 1 20 . 1 1 10 10 MET CG C 13 32.024 0.054 . 1 . 14 . . 10 MET CG . 18459 1 21 . 1 1 10 10 MET N N 15 120.315 0.024 . 1 . 21 . . 10 MET N . 18459 1 22 . 1 1 11 11 SER H H 1 8.188 0.002 . 1 . 25 . . 11 SER H . 18459 1 23 . 1 1 11 11 SER HA H 1 4.361 0.005 . 1 . 26 . . 11 SER HA . 18459 1 24 . 1 1 11 11 SER HB2 H 1 3.698 0.007 . 2 . 27 . . 11 SER HB2 . 18459 1 25 . 1 1 11 11 SER HB3 H 1 3.770 0.002 . 2 . 28 . . 11 SER HB3 . 18459 1 26 . 1 1 11 11 SER C C 13 174.222 . . 1 . 22 . . 11 SER C . 18459 1 27 . 1 1 11 11 SER CA C 13 58.261 0.046 . 1 . 23 . . 11 SER CA . 18459 1 28 . 1 1 11 11 SER CB C 13 63.994 0.03 . 1 . 24 . . 11 SER CB . 18459 1 29 . 1 1 11 11 SER N N 15 116.102 0.026 . 1 . 29 . . 11 SER N . 18459 1 30 . 1 1 12 12 ASP H H 1 8.250 0.002 . 1 . 33 . . 12 ASP H . 18459 1 31 . 1 1 12 12 ASP HA H 1 4.448 0.004 . 1 . 34 . . 12 ASP HA . 18459 1 32 . 1 1 12 12 ASP HB2 H 1 2.383 0.004 . 2 . 35 . . 12 ASP HB2 . 18459 1 33 . 1 1 12 12 ASP HB3 H 1 2.497 0.003 . 2 . 36 . . 12 ASP HB3 . 18459 1 34 . 1 1 12 12 ASP C C 13 175.804 . . 1 . 30 . . 12 ASP C . 18459 1 35 . 1 1 12 12 ASP CA C 13 54.731 0.039 . 1 . 31 . . 12 ASP CA . 18459 1 36 . 1 1 12 12 ASP CB C 13 40.743 0.033 . 1 . 32 . . 12 ASP CB . 18459 1 37 . 1 1 12 12 ASP N N 15 121.824 0.033 . 1 . 37 . . 12 ASP N . 18459 1 38 . 1 1 13 13 TYR H H 1 7.817 0.002 . 1 . 45 . . 13 TYR H . 18459 1 39 . 1 1 13 13 TYR HA H 1 4.467 0.009 . 1 . 46 . . 13 TYR HA . 18459 1 40 . 1 1 13 13 TYR HB2 H 1 2.795 0.007 . 2 . 47 . . 13 TYR HB2 . 18459 1 41 . 1 1 13 13 TYR HB3 H 1 2.997 0.005 . 2 . 48 . . 13 TYR HB3 . 18459 1 42 . 1 1 13 13 TYR HD1 H 1 6.916 0.002 . 3 . 49 . . 13 TYR HD1 . 18459 1 43 . 1 1 13 13 TYR HD2 H 1 6.916 0.002 . 3 . 50 . . 13 TYR HD2 . 18459 1 44 . 1 1 13 13 TYR HE1 H 1 6.683 0.001 . 3 . 51 . . 13 TYR HE1 . 18459 1 45 . 1 1 13 13 TYR HE2 H 1 6.683 0.001 . 3 . 52 . . 13 TYR HE2 . 18459 1 46 . 1 1 13 13 TYR C C 13 175.214 . . 1 . 38 . . 13 TYR C . 18459 1 47 . 1 1 13 13 TYR CA C 13 57.516 0.026 . 1 . 39 . . 13 TYR CA . 18459 1 48 . 1 1 13 13 TYR CB C 13 38.755 0.028 . 1 . 40 . . 13 TYR CB . 18459 1 49 . 1 1 13 13 TYR CD1 C 13 132.958 . . 3 . 41 . . 13 TYR CD1 . 18459 1 50 . 1 1 13 13 TYR CD2 C 13 132.958 . . 3 . 42 . . 13 TYR CD2 . 18459 1 51 . 1 1 13 13 TYR CE1 C 13 117.878 . . 3 . 43 . . 13 TYR CE1 . 18459 1 52 . 1 1 13 13 TYR CE2 C 13 117.878 . . 3 . 44 . . 13 TYR CE2 . 18459 1 53 . 1 1 13 13 TYR N N 15 118.785 0.029 . 1 . 53 . . 13 TYR N . 18459 1 54 . 1 1 14 14 ASP H H 1 8.067 0.002 . 1 . 57 . . 14 ASP H . 18459 1 55 . 1 1 14 14 ASP HA H 1 4.526 0.002 . 1 . 58 . . 14 ASP HA . 18459 1 56 . 1 1 14 14 ASP HB2 H 1 2.473 0.002 . 2 . 59 . . 14 ASP HB2 . 18459 1 57 . 1 1 14 14 ASP HB3 H 1 2.574 . . 2 . 60 . . 14 ASP HB3 . 18459 1 58 . 1 1 14 14 ASP C C 13 175.403 . . 1 . 54 . . 14 ASP C . 18459 1 59 . 1 1 14 14 ASP CA C 13 54.160 0.023 . 1 . 55 . . 14 ASP CA . 18459 1 60 . 1 1 14 14 ASP CB C 13 41.210 0.006 . 1 . 56 . . 14 ASP CB . 18459 1 61 . 1 1 14 14 ASP N N 15 121.638 0.02 . 1 . 61 . . 14 ASP N . 18459 1 62 . 1 1 15 15 ILE H H 1 7.846 0.002 . 1 . 68 . . 15 ILE H . 18459 1 63 . 1 1 15 15 ILE HA H 1 4.333 0.011 . 1 . 69 . . 15 ILE HA . 18459 1 64 . 1 1 15 15 ILE HB H 1 1.769 0.004 . 1 . 70 . . 15 ILE HB . 18459 1 65 . 1 1 15 15 ILE HG12 H 1 1.422 . . 2 . 72 . . 15 ILE HG12 . 18459 1 66 . 1 1 15 15 ILE HG13 H 1 1.096 . . 2 . 73 . . 15 ILE HG13 . 18459 1 67 . 1 1 15 15 ILE HG21 H 1 0.849 . . 1 . 74 . . 15 ILE HG21 . 18459 1 68 . 1 1 15 15 ILE HG22 H 1 0.849 . . 1 . 74 . . 15 ILE HG22 . 18459 1 69 . 1 1 15 15 ILE HG23 H 1 0.849 . . 1 . 74 . . 15 ILE HG23 . 18459 1 70 . 1 1 15 15 ILE HD11 H 1 0.787 0.005 . 1 . 71 . . 15 ILE HD11 . 18459 1 71 . 1 1 15 15 ILE HD12 H 1 0.787 0.005 . 1 . 71 . . 15 ILE HD12 . 18459 1 72 . 1 1 15 15 ILE HD13 H 1 0.787 0.005 . 1 . 71 . . 15 ILE HD13 . 18459 1 73 . 1 1 15 15 ILE C C 13 178.455 . . 1 . 62 . . 15 ILE C . 18459 1 74 . 1 1 15 15 ILE CA C 13 58.680 0.021 . 1 . 63 . . 15 ILE CA . 18459 1 75 . 1 1 15 15 ILE CB C 13 38.724 0.018 . 1 . 64 . . 15 ILE CB . 18459 1 76 . 1 1 15 15 ILE CG1 C 13 26.954 0.004 . 1 . 66 . . 15 ILE CG1 . 18459 1 77 . 1 1 15 15 ILE CG2 C 13 17.102 . . 1 . 67 . . 15 ILE CG2 . 18459 1 78 . 1 1 15 15 ILE CD1 C 13 12.720 0.034 . 1 . 65 . . 15 ILE CD1 . 18459 1 79 . 1 1 15 15 ILE N N 15 122.196 0.033 . 1 . 75 . . 15 ILE N . 18459 1 80 . 1 1 16 16 PRO HA H 1 4.431 0.005 . 1 . 81 . . 16 PRO HA . 18459 1 81 . 1 1 16 16 PRO HB2 H 1 1.845 0.008 . 2 . 82 . . 16 PRO HB2 . 18459 1 82 . 1 1 16 16 PRO HB3 H 1 2.238 0.013 . 2 . 83 . . 16 PRO HB3 . 18459 1 83 . 1 1 16 16 PRO HG2 H 1 1.963 0.015 . 2 . 86 . . 16 PRO HG2 . 18459 1 84 . 1 1 16 16 PRO HG3 H 1 1.917 . . 2 . 87 . . 16 PRO HG3 . 18459 1 85 . 1 1 16 16 PRO HD2 H 1 3.811 0.001 . 2 . 84 . . 16 PRO HD2 . 18459 1 86 . 1 1 16 16 PRO HD3 H 1 3.625 0.002 . 2 . 85 . . 16 PRO HD3 . 18459 1 87 . 1 1 16 16 PRO C C 13 177.002 . . 1 . 76 . . 16 PRO C . 18459 1 88 . 1 1 16 16 PRO CA C 13 63.186 0.031 . 1 . 77 . . 16 PRO CA . 18459 1 89 . 1 1 16 16 PRO CB C 13 32.108 0.042 . 1 . 78 . . 16 PRO CB . 18459 1 90 . 1 1 16 16 PRO CG C 13 27.340 0.021 . 1 . 80 . . 16 PRO CG . 18459 1 91 . 1 1 16 16 PRO CD C 13 51.077 0.015 . 1 . 79 . . 16 PRO CD . 18459 1 92 . 1 1 17 17 THR H H 1 8.209 0.002 . 1 . 92 . . 17 THR H . 18459 1 93 . 1 1 17 17 THR HA H 1 4.325 0.003 . 1 . 93 . . 17 THR HA . 18459 1 94 . 1 1 17 17 THR HB H 1 4.205 0.006 . 1 . 94 . . 17 THR HB . 18459 1 95 . 1 1 17 17 THR HG21 H 1 1.168 . . 1 . 95 . . 17 THR HG21 . 18459 1 96 . 1 1 17 17 THR HG22 H 1 1.168 . . 1 . 95 . . 17 THR HG22 . 18459 1 97 . 1 1 17 17 THR HG23 H 1 1.168 . . 1 . 95 . . 17 THR HG23 . 18459 1 98 . 1 1 17 17 THR C C 13 174.842 . . 1 . 88 . . 17 THR C . 18459 1 99 . 1 1 17 17 THR CA C 13 61.709 0.046 . 1 . 89 . . 17 THR CA . 18459 1 100 . 1 1 17 17 THR CB C 13 69.813 0.013 . 1 . 90 . . 17 THR CB . 18459 1 101 . 1 1 17 17 THR CG2 C 13 21.418 0.001 . 1 . 91 . . 17 THR CG2 . 18459 1 102 . 1 1 17 17 THR N N 15 114.400 0.032 . 1 . 96 . . 17 THR N . 18459 1 103 . 1 1 18 18 THR H H 1 8.039 0.004 . 1 . 101 . . 18 THR H . 18459 1 104 . 1 1 18 18 THR HA H 1 4.238 0.008 . 1 . 102 . . 18 THR HA . 18459 1 105 . 1 1 18 18 THR HB H 1 4.177 0.006 . 1 . 103 . . 18 THR HB . 18459 1 106 . 1 1 18 18 THR HG21 H 1 1.122 . . 1 . 104 . . 18 THR HG21 . 18459 1 107 . 1 1 18 18 THR HG22 H 1 1.122 . . 1 . 104 . . 18 THR HG22 . 18459 1 108 . 1 1 18 18 THR HG23 H 1 1.122 . . 1 . 104 . . 18 THR HG23 . 18459 1 109 . 1 1 18 18 THR C C 13 174.429 . . 1 . 97 . . 18 THR C . 18459 1 110 . 1 1 18 18 THR CA C 13 62.061 0.056 . 1 . 98 . . 18 THR CA . 18459 1 111 . 1 1 18 18 THR CB C 13 69.616 0.035 . 1 . 99 . . 18 THR CB . 18459 1 112 . 1 1 18 18 THR CG2 C 13 21.681 . . 1 . 100 . . 18 THR CG2 . 18459 1 113 . 1 1 18 18 THR N N 15 115.336 0.026 . 1 . 105 . . 18 THR N . 18459 1 114 . 1 1 19 19 GLU H H 1 8.323 0.004 . 1 . 110 . . 19 GLU H . 18459 1 115 . 1 1 19 19 GLU HA H 1 4.179 0.003 . 1 . 111 . . 19 GLU HA . 18459 1 116 . 1 1 19 19 GLU HB2 H 1 1.833 0.005 . 2 . 112 . . 19 GLU HB2 . 18459 1 117 . 1 1 19 19 GLU HB3 H 1 1.961 0.007 . 2 . 113 . . 19 GLU HB3 . 18459 1 118 . 1 1 19 19 GLU HG2 H 1 2.173 . . 2 . 114 . . 19 GLU HG2 . 18459 1 119 . 1 1 19 19 GLU HG3 H 1 2.165 . . 2 . 115 . . 19 GLU HG3 . 18459 1 120 . 1 1 19 19 GLU C C 13 175.874 . . 1 . 106 . . 19 GLU C . 18459 1 121 . 1 1 19 19 GLU CA C 13 56.818 0.078 . 1 . 107 . . 19 GLU CA . 18459 1 122 . 1 1 19 19 GLU CB C 13 30.224 0.065 . 1 . 108 . . 19 GLU CB . 18459 1 123 . 1 1 19 19 GLU CG C 13 33.501 . . 1 . 109 . . 19 GLU CG . 18459 1 124 . 1 1 19 19 GLU N N 15 122.523 0.055 . 1 . 116 . . 19 GLU N . 18459 1 125 . 1 1 20 20 ASN H H 1 8.260 0.003 . 1 . 120 . . 20 ASN H . 18459 1 126 . 1 1 20 20 ASN HA H 1 4.574 0.007 . 1 . 121 . . 20 ASN HA . 18459 1 127 . 1 1 20 20 ASN HB2 H 1 2.636 0.009 . 2 . 122 . . 20 ASN HB2 . 18459 1 128 . 1 1 20 20 ASN HB3 H 1 2.684 0.005 . 2 . 123 . . 20 ASN HB3 . 18459 1 129 . 1 1 20 20 ASN HD21 H 1 6.804 0.003 . 1 . 124 . . 20 ASN HD21 . 18459 1 130 . 1 1 20 20 ASN HD22 H 1 7.480 . . 1 . 125 . . 20 ASN HD22 . 18459 1 131 . 1 1 20 20 ASN C C 13 174.935 . . 1 . 117 . . 20 ASN C . 18459 1 132 . 1 1 20 20 ASN CA C 13 53.303 0.029 . 1 . 118 . . 20 ASN CA . 18459 1 133 . 1 1 20 20 ASN CB C 13 38.734 0.062 . 1 . 119 . . 20 ASN CB . 18459 1 134 . 1 1 20 20 ASN N N 15 119.202 0.037 . 1 . 126 . . 20 ASN N . 18459 1 135 . 1 1 20 20 ASN ND2 N 15 112.591 . . 1 . 127 . . 20 ASN ND2 . 18459 1 136 . 1 1 21 21 LEU H H 1 8.030 0.004 . 1 . 134 . . 21 LEU H . 18459 1 137 . 1 1 21 21 LEU HA H 1 4.141 0.001 . 1 . 135 . . 21 LEU HA . 18459 1 138 . 1 1 21 21 LEU HB2 H 1 1.263 0.004 . 2 . 136 . . 21 LEU HB2 . 18459 1 139 . 1 1 21 21 LEU HB3 H 1 1.392 0.007 . 2 . 137 . . 21 LEU HB3 . 18459 1 140 . 1 1 21 21 LEU HG H 1 1.404 0.005 . 1 . 140 . . 21 LEU HG . 18459 1 141 . 1 1 21 21 LEU HD11 H 1 0.718 0.006 . 2 . 138 . . 21 LEU HD11 . 18459 1 142 . 1 1 21 21 LEU HD12 H 1 0.718 0.006 . 2 . 138 . . 21 LEU HD12 . 18459 1 143 . 1 1 21 21 LEU HD13 H 1 0.718 0.006 . 2 . 138 . . 21 LEU HD13 . 18459 1 144 . 1 1 21 21 LEU HD21 H 1 0.783 0.002 . 2 . 139 . . 21 LEU HD21 . 18459 1 145 . 1 1 21 21 LEU HD22 H 1 0.783 0.002 . 2 . 139 . . 21 LEU HD22 . 18459 1 146 . 1 1 21 21 LEU HD23 H 1 0.783 0.002 . 2 . 139 . . 21 LEU HD23 . 18459 1 147 . 1 1 21 21 LEU C C 13 176.916 . . 1 . 128 . . 21 LEU C . 18459 1 148 . 1 1 21 21 LEU CA C 13 55.454 . . 1 . 129 . . 21 LEU CA . 18459 1 149 . 1 1 21 21 LEU CB C 13 42.285 0.015 . 1 . 130 . . 21 LEU CB . 18459 1 150 . 1 1 21 21 LEU CG C 13 26.734 0.027 . 1 . 133 . . 21 LEU CG . 18459 1 151 . 1 1 21 21 LEU CD1 C 13 23.450 0.002 . 2 . 131 . . 21 LEU CD1 . 18459 1 152 . 1 1 21 21 LEU CD2 C 13 24.927 0.003 . 2 . 132 . . 21 LEU CD2 . 18459 1 153 . 1 1 21 21 LEU N N 15 122.250 0.031 . 1 . 141 . . 21 LEU N . 18459 1 154 . 1 1 22 22 TYR H H 1 8.016 0.005 . 1 . 149 . . 22 TYR H . 18459 1 155 . 1 1 22 22 TYR HA H 1 4.412 0.008 . 1 . 150 . . 22 TYR HA . 18459 1 156 . 1 1 22 22 TYR HB2 H 1 2.799 0.001 . 2 . 151 . . 22 TYR HB2 . 18459 1 157 . 1 1 22 22 TYR HB3 H 1 2.787 . . 2 . 152 . . 22 TYR HB3 . 18459 1 158 . 1 1 22 22 TYR HD1 H 1 7.032 0.001 . 3 . 153 . . 22 TYR HD1 . 18459 1 159 . 1 1 22 22 TYR HD2 H 1 7.032 0.001 . 3 . 154 . . 22 TYR HD2 . 18459 1 160 . 1 1 22 22 TYR HE1 H 1 6.778 . . 3 . 155 . . 22 TYR HE1 . 18459 1 161 . 1 1 22 22 TYR HE2 H 1 6.778 . . 3 . 156 . . 22 TYR HE2 . 18459 1 162 . 1 1 22 22 TYR C C 13 175.473 . . 1 . 142 . . 22 TYR C . 18459 1 163 . 1 1 22 22 TYR CA C 13 57.974 0.009 . 1 . 143 . . 22 TYR CA . 18459 1 164 . 1 1 22 22 TYR CB C 13 38.628 0.015 . 1 . 144 . . 22 TYR CB . 18459 1 165 . 1 1 22 22 TYR CD1 C 13 133.062 . . 3 . 145 . . 22 TYR CD1 . 18459 1 166 . 1 1 22 22 TYR CD2 C 13 133.062 . . 3 . 146 . . 22 TYR CD2 . 18459 1 167 . 1 1 22 22 TYR CE1 C 13 118.067 . . 3 . 147 . . 22 TYR CE1 . 18459 1 168 . 1 1 22 22 TYR CE2 C 13 118.067 . . 3 . 148 . . 22 TYR CE2 . 18459 1 169 . 1 1 22 22 TYR N N 15 119.957 0.044 . 1 . 157 . . 22 TYR N . 18459 1 170 . 1 1 23 23 PHE H H 1 7.976 0.003 . 1 . 166 . . 23 PHE H . 18459 1 171 . 1 1 23 23 PHE HA H 1 4.436 . . 1 . 167 . . 23 PHE HA . 18459 1 172 . 1 1 23 23 PHE HB2 H 1 2.922 0.001 . 2 . 168 . . 23 PHE HB2 . 18459 1 173 . 1 1 23 23 PHE HB3 H 1 3.020 0.001 . 2 . 169 . . 23 PHE HB3 . 18459 1 174 . 1 1 23 23 PHE HD1 H 1 7.193 0.003 . 3 . 170 . . 23 PHE HD1 . 18459 1 175 . 1 1 23 23 PHE HD2 H 1 7.193 0.003 . 3 . 171 . . 23 PHE HD2 . 18459 1 176 . 1 1 23 23 PHE HE1 H 1 7.272 . . 3 . 172 . . 23 PHE HE1 . 18459 1 177 . 1 1 23 23 PHE HE2 H 1 7.272 . . 3 . 173 . . 23 PHE HE2 . 18459 1 178 . 1 1 23 23 PHE HZ H 1 7.223 0.001 . 1 . 174 . . 23 PHE HZ . 18459 1 179 . 1 1 23 23 PHE C C 13 175.351 . . 1 . 158 . . 23 PHE C . 18459 1 180 . 1 1 23 23 PHE CA C 13 57.793 0.01 . 1 . 159 . . 23 PHE CA . 18459 1 181 . 1 1 23 23 PHE CB C 13 39.325 0.031 . 1 . 160 . . 23 PHE CB . 18459 1 182 . 1 1 23 23 PHE CD1 C 13 131.770 . . 3 . 161 . . 23 PHE CD1 . 18459 1 183 . 1 1 23 23 PHE CD2 C 13 131.770 . . 3 . 162 . . 23 PHE CD2 . 18459 1 184 . 1 1 23 23 PHE CE1 C 13 131.241 . . 3 . 163 . . 23 PHE CE1 . 18459 1 185 . 1 1 23 23 PHE CE2 C 13 131.241 . . 3 . 164 . . 23 PHE CE2 . 18459 1 186 . 1 1 23 23 PHE CZ C 13 129.704 . . 1 . 165 . . 23 PHE CZ . 18459 1 187 . 1 1 23 23 PHE N N 15 120.858 0.039 . 1 . 175 . . 23 PHE N . 18459 1 188 . 1 1 24 24 GLU H H 1 8.128 0.003 . 1 . 180 . . 24 GLU H . 18459 1 189 . 1 1 24 24 GLU HA H 1 4.151 0.004 . 1 . 181 . . 24 GLU HA . 18459 1 190 . 1 1 24 24 GLU HB2 H 1 1.832 0.014 . 2 . 182 . . 24 GLU HB2 . 18459 1 191 . 1 1 24 24 GLU HB3 H 1 1.982 0.007 . 2 . 183 . . 24 GLU HB3 . 18459 1 192 . 1 1 24 24 GLU HG2 H 1 2.176 0.002 . 2 . 184 . . 24 GLU HG2 . 18459 1 193 . 1 1 24 24 GLU HG3 H 1 2.172 . . 2 . 185 . . 24 GLU HG3 . 18459 1 194 . 1 1 24 24 GLU C C 13 176.087 . . 1 . 176 . . 24 GLU C . 18459 1 195 . 1 1 24 24 GLU CA C 13 55.957 0.014 . 1 . 177 . . 24 GLU CA . 18459 1 196 . 1 1 24 24 GLU CB C 13 29.168 0.044 . 1 . 178 . . 24 GLU CB . 18459 1 197 . 1 1 24 24 GLU CG C 13 33.604 . . 1 . 179 . . 24 GLU CG . 18459 1 198 . 1 1 24 24 GLU N N 15 121.627 0.034 . 1 . 186 . . 24 GLU N . 18459 1 199 . 1 1 25 25 GLY H H 1 7.883 0.002 . 1 . 189 . . 25 GLY H . 18459 1 200 . 1 1 25 25 GLY HA2 H 1 3.779 0.001 . 2 . 190 . . 25 GLY HA2 . 18459 1 201 . 1 1 25 25 GLY HA3 H 1 3.795 . . 2 . 191 . . 25 GLY HA3 . 18459 1 202 . 1 1 25 25 GLY C C 13 173.851 . . 1 . 187 . . 25 GLY C . 18459 1 203 . 1 1 25 25 GLY CA C 13 45.326 0.001 . 1 . 188 . . 25 GLY CA . 18459 1 204 . 1 1 25 25 GLY N N 15 109.412 0.02 . 1 . 192 . . 25 GLY N . 18459 1 205 . 1 1 26 26 ALA H H 1 8.034 0.003 . 1 . 196 . . 26 ALA H . 18459 1 206 . 1 1 26 26 ALA HA H 1 4.202 . . 1 . 197 . . 26 ALA HA . 18459 1 207 . 1 1 26 26 ALA HB1 H 1 1.273 0.001 . 1 . 198 . . 26 ALA HB1 . 18459 1 208 . 1 1 26 26 ALA HB2 H 1 1.273 0.001 . 1 . 198 . . 26 ALA HB2 . 18459 1 209 . 1 1 26 26 ALA HB3 H 1 1.273 0.001 . 1 . 198 . . 26 ALA HB3 . 18459 1 210 . 1 1 26 26 ALA C C 13 177.682 . . 1 . 193 . . 26 ALA C . 18459 1 211 . 1 1 26 26 ALA CA C 13 52.541 0.01 . 1 . 194 . . 26 ALA CA . 18459 1 212 . 1 1 26 26 ALA CB C 13 19.238 0.031 . 1 . 195 . . 26 ALA CB . 18459 1 213 . 1 1 26 26 ALA N N 15 123.380 0.034 . 1 . 199 . . 26 ALA N . 18459 1 214 . 1 1 27 27 MET H H 1 8.189 0.003 . 1 . 205 . . 27 MET H . 18459 1 215 . 1 1 27 27 MET HA H 1 4.289 0.006 . 1 . 206 . . 27 MET HA . 18459 1 216 . 1 1 27 27 MET HB2 H 1 1.854 0.003 . 2 . 207 . . 27 MET HB2 . 18459 1 217 . 1 1 27 27 MET HB3 H 1 1.936 0.01 . 2 . 208 . . 27 MET HB3 . 18459 1 218 . 1 1 27 27 MET HG2 H 1 2.457 0.004 . 2 . 210 . . 27 MET HG2 . 18459 1 219 . 1 1 27 27 MET HG3 H 1 2.375 0.008 . 2 . 211 . . 27 MET HG3 . 18459 1 220 . 1 1 27 27 MET HE1 H 1 1.959 . . 1 . 209 . . 27 MET HE1 . 18459 1 221 . 1 1 27 27 MET HE2 H 1 1.959 . . 1 . 209 . . 27 MET HE2 . 18459 1 222 . 1 1 27 27 MET HE3 H 1 1.959 . . 1 . 209 . . 27 MET HE3 . 18459 1 223 . 1 1 27 27 MET C C 13 176.249 . . 1 . 200 . . 27 MET C . 18459 1 224 . 1 1 27 27 MET CA C 13 55.398 0.007 . 1 . 201 . . 27 MET CA . 18459 1 225 . 1 1 27 27 MET CB C 13 32.479 0.076 . 1 . 202 . . 27 MET CB . 18459 1 226 . 1 1 27 27 MET CG C 13 32.079 0.079 . 1 . 204 . . 27 MET CG . 18459 1 227 . 1 1 27 27 MET CE C 13 16.832 . . 1 . 203 . . 27 MET CE . 18459 1 228 . 1 1 27 27 MET N N 15 118.299 0.026 . 1 . 212 . . 27 MET N . 18459 1 229 . 1 1 28 28 GLY H H 1 7.898 0.003 . 1 . 215 . . 28 GLY H . 18459 1 230 . 1 1 28 28 GLY HA2 H 1 3.553 0.004 . 2 . 216 . . 28 GLY HA2 . 18459 1 231 . 1 1 28 28 GLY HA3 H 1 3.660 0.001 . 2 . 217 . . 28 GLY HA3 . 18459 1 232 . 1 1 28 28 GLY C C 13 173.100 . . 1 . 213 . . 28 GLY C . 18459 1 233 . 1 1 28 28 GLY CA C 13 44.792 0.002 . 1 . 214 . . 28 GLY CA . 18459 1 234 . 1 1 28 28 GLY N N 15 108.712 0.032 . 1 . 218 . . 28 GLY N . 18459 1 235 . 1 1 29 29 PHE H H 1 7.881 0.001 . 1 . 222 . . 29 PHE H . 18459 1 236 . 1 1 29 29 PHE HA H 1 4.623 . . 1 . 223 . . 29 PHE HA . 18459 1 237 . 1 1 29 29 PHE HB2 H 1 2.629 . . 2 . 224 . . 29 PHE HB2 . 18459 1 238 . 1 1 29 29 PHE HB3 H 1 2.630 . . 2 . 225 . . 29 PHE HB3 . 18459 1 239 . 1 1 29 29 PHE C C 13 176.836 . . 1 . 219 . . 29 PHE C . 18459 1 240 . 1 1 29 29 PHE CA C 13 57.944 0.002 . 1 . 220 . . 29 PHE CA . 18459 1 241 . 1 1 29 29 PHE CB C 13 38.892 0.028 . 1 . 221 . . 29 PHE CB . 18459 1 242 . 1 1 29 29 PHE N N 15 120.134 0.021 . 1 . 226 . . 29 PHE N . 18459 1 243 . 1 1 30 30 THR H H 1 8.985 0.005 . 1 . 231 . . 30 THR H . 18459 1 244 . 1 1 30 30 THR HA H 1 4.402 0.011 . 1 . 232 . . 30 THR HA . 18459 1 245 . 1 1 30 30 THR HB H 1 4.307 0.011 . 1 . 233 . . 30 THR HB . 18459 1 246 . 1 1 30 30 THR HG21 H 1 0.987 0.007 . 1 . 234 . . 30 THR HG21 . 18459 1 247 . 1 1 30 30 THR HG22 H 1 0.987 0.007 . 1 . 234 . . 30 THR HG22 . 18459 1 248 . 1 1 30 30 THR HG23 H 1 0.987 0.007 . 1 . 234 . . 30 THR HG23 . 18459 1 249 . 1 1 30 30 THR C C 13 175.068 . . 1 . 227 . . 30 THR C . 18459 1 250 . 1 1 30 30 THR CA C 13 61.224 0.018 . 1 . 228 . . 30 THR CA . 18459 1 251 . 1 1 30 30 THR CB C 13 70.409 0.039 . 1 . 229 . . 30 THR CB . 18459 1 252 . 1 1 30 30 THR CG2 C 13 21.361 0.001 . 1 . 230 . . 30 THR CG2 . 18459 1 253 . 1 1 30 30 THR N N 15 115.184 0.032 . 1 . 235 . . 30 THR N . 18459 1 254 . 1 1 31 31 GLY H H 1 9.039 0.004 . 1 . 238 . . 31 GLY H . 18459 1 255 . 1 1 31 31 GLY HA2 H 1 3.913 0.001 . 2 . 239 . . 31 GLY HA2 . 18459 1 256 . 1 1 31 31 GLY HA3 H 1 2.991 0.003 . 2 . 240 . . 31 GLY HA3 . 18459 1 257 . 1 1 31 31 GLY C C 13 172.949 . . 1 . 236 . . 31 GLY C . 18459 1 258 . 1 1 31 31 GLY CA C 13 45.122 0.023 . 1 . 237 . . 31 GLY CA . 18459 1 259 . 1 1 31 31 GLY N N 15 114.144 0.032 . 1 . 241 . . 31 GLY N . 18459 1 260 . 1 1 32 32 ARG H H 1 8.213 0.009 . 1 . 247 . . 32 ARG H . 18459 1 261 . 1 1 32 32 ARG HA H 1 4.165 0.004 . 1 . 248 . . 32 ARG HA . 18459 1 262 . 1 1 32 32 ARG HB2 H 1 1.871 0.006 . 2 . 249 . . 32 ARG HB2 . 18459 1 263 . 1 1 32 32 ARG HB3 H 1 1.932 0.002 . 2 . 250 . . 32 ARG HB3 . 18459 1 264 . 1 1 32 32 ARG HG2 H 1 1.686 . . 2 . 254 . . 32 ARG HG2 . 18459 1 265 . 1 1 32 32 ARG HG3 H 1 1.640 . . 2 . 255 . . 32 ARG HG3 . 18459 1 266 . 1 1 32 32 ARG HD2 H 1 3.283 . . 2 . 251 . . 32 ARG HD2 . 18459 1 267 . 1 1 32 32 ARG HD3 H 1 3.194 . . 2 . 252 . . 32 ARG HD3 . 18459 1 268 . 1 1 32 32 ARG HE H 1 7.405 . . 1 . 253 . . 32 ARG HE . 18459 1 269 . 1 1 32 32 ARG C C 13 175.799 . . 1 . 242 . . 32 ARG C . 18459 1 270 . 1 1 32 32 ARG CA C 13 57.000 0.014 . 1 . 243 . . 32 ARG CA . 18459 1 271 . 1 1 32 32 ARG CB C 13 31.007 0.025 . 1 . 244 . . 32 ARG CB . 18459 1 272 . 1 1 32 32 ARG CG C 13 27.200 0.022 . 1 . 246 . . 32 ARG CG . 18459 1 273 . 1 1 32 32 ARG CD C 13 43.249 0.001 . 1 . 245 . . 32 ARG CD . 18459 1 274 . 1 1 32 32 ARG N N 15 121.237 0.059 . 1 . 256 . . 32 ARG N . 18459 1 275 . 1 1 32 32 ARG NE N 15 83.760 . . 1 . 257 . . 32 ARG NE . 18459 1 276 . 1 1 33 33 LYS H H 1 8.332 0.002 . 1 . 264 . . 33 LYS H . 18459 1 277 . 1 1 33 33 LYS HA H 1 4.118 0.013 . 1 . 265 . . 33 LYS HA . 18459 1 278 . 1 1 33 33 LYS HB2 H 1 1.113 0.005 . 2 . 266 . . 33 LYS HB2 . 18459 1 279 . 1 1 33 33 LYS HB3 H 1 1.590 0.005 . 2 . 267 . . 33 LYS HB3 . 18459 1 280 . 1 1 33 33 LYS HG2 H 1 0.841 0.011 . 2 . 272 . . 33 LYS HG2 . 18459 1 281 . 1 1 33 33 LYS HG3 H 1 1.510 0.008 . 2 . 273 . . 33 LYS HG3 . 18459 1 282 . 1 1 33 33 LYS HD2 H 1 1.448 0.001 . 2 . 268 . . 33 LYS HD2 . 18459 1 283 . 1 1 33 33 LYS HD3 H 1 1.462 0.007 . 2 . 269 . . 33 LYS HD3 . 18459 1 284 . 1 1 33 33 LYS HE2 H 1 2.886 0.003 . 2 . 270 . . 33 LYS HE2 . 18459 1 285 . 1 1 33 33 LYS HE3 H 1 2.869 . . 2 . 271 . . 33 LYS HE3 . 18459 1 286 . 1 1 33 33 LYS C C 13 176.458 . . 1 . 258 . . 33 LYS C . 18459 1 287 . 1 1 33 33 LYS CA C 13 56.755 0.052 . 1 . 259 . . 33 LYS CA . 18459 1 288 . 1 1 33 33 LYS CB C 13 33.567 0.044 . 1 . 260 . . 33 LYS CB . 18459 1 289 . 1 1 33 33 LYS CG C 13 26.104 0.06 . 1 . 263 . . 33 LYS CG . 18459 1 290 . 1 1 33 33 LYS CD C 13 29.266 0.028 . 1 . 261 . . 33 LYS CD . 18459 1 291 . 1 1 33 33 LYS CE C 13 42.089 . . 1 . 262 . . 33 LYS CE . 18459 1 292 . 1 1 33 33 LYS N N 15 123.763 0.048 . 1 . 274 . . 33 LYS N . 18459 1 293 . 1 1 34 34 ILE H H 1 8.762 0.004 . 1 . 281 . . 34 ILE H . 18459 1 294 . 1 1 34 34 ILE HA H 1 4.617 0.004 . 1 . 282 . . 34 ILE HA . 18459 1 295 . 1 1 34 34 ILE HB H 1 1.838 0.003 . 1 . 283 . . 34 ILE HB . 18459 1 296 . 1 1 34 34 ILE HG12 H 1 1.180 0.003 . 2 . 285 . . 34 ILE HG12 . 18459 1 297 . 1 1 34 34 ILE HG13 H 1 1.291 0.002 . 2 . 286 . . 34 ILE HG13 . 18459 1 298 . 1 1 34 34 ILE HG21 H 1 0.837 0.002 . 1 . 287 . . 34 ILE HG21 . 18459 1 299 . 1 1 34 34 ILE HG22 H 1 0.837 0.002 . 1 . 287 . . 34 ILE HG22 . 18459 1 300 . 1 1 34 34 ILE HG23 H 1 0.837 0.002 . 1 . 287 . . 34 ILE HG23 . 18459 1 301 . 1 1 34 34 ILE HD11 H 1 0.723 0.003 . 1 . 284 . . 34 ILE HD11 . 18459 1 302 . 1 1 34 34 ILE HD12 H 1 0.723 0.003 . 1 . 284 . . 34 ILE HD12 . 18459 1 303 . 1 1 34 34 ILE HD13 H 1 0.723 0.003 . 1 . 284 . . 34 ILE HD13 . 18459 1 304 . 1 1 34 34 ILE C C 13 174.631 . . 1 . 275 . . 34 ILE C . 18459 1 305 . 1 1 34 34 ILE CA C 13 59.367 0.016 . 1 . 276 . . 34 ILE CA . 18459 1 306 . 1 1 34 34 ILE CB C 13 42.280 0.05 . 1 . 277 . . 34 ILE CB . 18459 1 307 . 1 1 34 34 ILE CG1 C 13 25.697 0.037 . 1 . 279 . . 34 ILE CG1 . 18459 1 308 . 1 1 34 34 ILE CG2 C 13 18.537 0.005 . 1 . 280 . . 34 ILE CG2 . 18459 1 309 . 1 1 34 34 ILE CD1 C 13 14.580 0.006 . 1 . 278 . . 34 ILE CD1 . 18459 1 310 . 1 1 34 34 ILE N N 15 118.061 0.044 . 1 . 288 . . 34 ILE N . 18459 1 311 . 1 1 35 35 SER H H 1 8.122 0.006 . 1 . 292 . . 35 SER H . 18459 1 312 . 1 1 35 35 SER HA H 1 5.048 0.006 . 1 . 293 . . 35 SER HA . 18459 1 313 . 1 1 35 35 SER HB2 H 1 3.786 0.011 . 2 . 294 . . 35 SER HB2 . 18459 1 314 . 1 1 35 35 SER HB3 H 1 3.609 0.006 . 2 . 295 . . 35 SER HB3 . 18459 1 315 . 1 1 35 35 SER C C 13 172.757 . . 1 . 289 . . 35 SER C . 18459 1 316 . 1 1 35 35 SER CA C 13 57.380 0.028 . 1 . 290 . . 35 SER CA . 18459 1 317 . 1 1 35 35 SER CB C 13 65.449 0.046 . 1 . 291 . . 35 SER CB . 18459 1 318 . 1 1 35 35 SER N N 15 115.919 0.046 . 1 . 296 . . 35 SER N . 18459 1 319 . 1 1 36 36 LEU H H 1 8.493 0.005 . 1 . 303 . . 36 LEU H . 18459 1 320 . 1 1 36 36 LEU HA H 1 4.335 0.002 . 1 . 304 . . 36 LEU HA . 18459 1 321 . 1 1 36 36 LEU HB2 H 1 1.106 0.005 . 2 . 305 . . 36 LEU HB2 . 18459 1 322 . 1 1 36 36 LEU HB3 H 1 1.206 0.001 . 2 . 306 . . 36 LEU HB3 . 18459 1 323 . 1 1 36 36 LEU HG H 1 1.373 0.006 . 1 . 309 . . 36 LEU HG . 18459 1 324 . 1 1 36 36 LEU HD11 H 1 0.832 0.002 . 2 . 307 . . 36 LEU HD11 . 18459 1 325 . 1 1 36 36 LEU HD12 H 1 0.832 0.002 . 2 . 307 . . 36 LEU HD12 . 18459 1 326 . 1 1 36 36 LEU HD13 H 1 0.832 0.002 . 2 . 307 . . 36 LEU HD13 . 18459 1 327 . 1 1 36 36 LEU HD21 H 1 0.745 0.002 . 2 . 308 . . 36 LEU HD21 . 18459 1 328 . 1 1 36 36 LEU HD22 H 1 0.745 0.002 . 2 . 308 . . 36 LEU HD22 . 18459 1 329 . 1 1 36 36 LEU HD23 H 1 0.745 0.002 . 2 . 308 . . 36 LEU HD23 . 18459 1 330 . 1 1 36 36 LEU C C 13 173.884 . . 1 . 297 . . 36 LEU C . 18459 1 331 . 1 1 36 36 LEU CA C 13 53.806 0.055 . 1 . 298 . . 36 LEU CA . 18459 1 332 . 1 1 36 36 LEU CB C 13 46.869 0.035 . 1 . 299 . . 36 LEU CB . 18459 1 333 . 1 1 36 36 LEU CG C 13 26.612 . . 1 . 302 . . 36 LEU CG . 18459 1 334 . 1 1 36 36 LEU CD1 C 13 23.994 0.051 . 2 . 300 . . 36 LEU CD1 . 18459 1 335 . 1 1 36 36 LEU CD2 C 13 26.477 0.001 . 2 . 301 . . 36 LEU CD2 . 18459 1 336 . 1 1 36 36 LEU N N 15 123.133 0.029 . 1 . 310 . . 36 LEU N . 18459 1 337 . 1 1 37 37 ASP H H 1 7.962 0.003 . 1 . 314 . . 37 ASP H . 18459 1 338 . 1 1 37 37 ASP HA H 1 4.966 0.002 . 1 . 315 . . 37 ASP HA . 18459 1 339 . 1 1 37 37 ASP HB2 H 1 2.442 0.005 . 2 . 316 . . 37 ASP HB2 . 18459 1 340 . 1 1 37 37 ASP HB3 H 1 2.256 0.002 . 2 . 317 . . 37 ASP HB3 . 18459 1 341 . 1 1 37 37 ASP C C 13 173.792 . . 1 . 311 . . 37 ASP C . 18459 1 342 . 1 1 37 37 ASP CA C 13 53.619 . . 1 . 312 . . 37 ASP CA . 18459 1 343 . 1 1 37 37 ASP CB C 13 42.848 0.049 . 1 . 313 . . 37 ASP CB . 18459 1 344 . 1 1 37 37 ASP N N 15 121.887 0.059 . 1 . 318 . . 37 ASP N . 18459 1 345 . 1 1 38 38 PHE H H 1 8.707 0.003 . 1 . 327 . . 38 PHE H . 18459 1 346 . 1 1 38 38 PHE HA H 1 4.893 0.007 . 1 . 328 . . 38 PHE HA . 18459 1 347 . 1 1 38 38 PHE HB2 H 1 2.876 0.009 . 2 . 329 . . 38 PHE HB2 . 18459 1 348 . 1 1 38 38 PHE HB3 H 1 2.910 0.002 . 2 . 330 . . 38 PHE HB3 . 18459 1 349 . 1 1 38 38 PHE HD1 H 1 7.144 . . 3 . 331 . . 38 PHE HD1 . 18459 1 350 . 1 1 38 38 PHE HD2 H 1 7.151 0.001 . 3 . 332 . . 38 PHE HD2 . 18459 1 351 . 1 1 38 38 PHE HE1 H 1 7.254 0.006 . 3 . 333 . . 38 PHE HE1 . 18459 1 352 . 1 1 38 38 PHE HE2 H 1 7.254 0.006 . 3 . 334 . . 38 PHE HE2 . 18459 1 353 . 1 1 38 38 PHE HZ H 1 7.197 0.001 . 1 . 335 . . 38 PHE HZ . 18459 1 354 . 1 1 38 38 PHE C C 13 174.996 . . 1 . 319 . . 38 PHE C . 18459 1 355 . 1 1 38 38 PHE CA C 13 55.930 0.023 . 1 . 320 . . 38 PHE CA . 18459 1 356 . 1 1 38 38 PHE CB C 13 41.679 0.003 . 1 . 321 . . 38 PHE CB . 18459 1 357 . 1 1 38 38 PHE CD1 C 13 131.908 . . 3 . 322 . . 38 PHE CD1 . 18459 1 358 . 1 1 38 38 PHE CD2 C 13 131.908 . . 3 . 323 . . 38 PHE CD2 . 18459 1 359 . 1 1 38 38 PHE CE1 C 13 131.261 . . 3 . 324 . . 38 PHE CE1 . 18459 1 360 . 1 1 38 38 PHE CE2 C 13 131.261 . . 3 . 325 . . 38 PHE CE2 . 18459 1 361 . 1 1 38 38 PHE CZ C 13 129.369 . . 1 . 326 . . 38 PHE CZ . 18459 1 362 . 1 1 38 38 PHE N N 15 121.168 0.053 . 1 . 336 . . 38 PHE N . 18459 1 363 . 1 1 39 39 GLN H H 1 8.958 0.004 . 1 . 341 . . 39 GLN H . 18459 1 364 . 1 1 39 39 GLN HA H 1 4.563 0.006 . 1 . 342 . . 39 GLN HA . 18459 1 365 . 1 1 39 39 GLN HB2 H 1 1.941 0.006 . 2 . 343 . . 39 GLN HB2 . 18459 1 366 . 1 1 39 39 GLN HB3 H 1 1.884 0.009 . 2 . 344 . . 39 GLN HB3 . 18459 1 367 . 1 1 39 39 GLN HG2 H 1 2.181 . . 2 . 347 . . 39 GLN HG2 . 18459 1 368 . 1 1 39 39 GLN HG3 H 1 2.179 0.001 . 2 . 348 . . 39 GLN HG3 . 18459 1 369 . 1 1 39 39 GLN HE21 H 1 6.637 0.001 . 1 . 345 . . 39 GLN HE21 . 18459 1 370 . 1 1 39 39 GLN HE22 H 1 7.624 . . 1 . 346 . . 39 GLN HE22 . 18459 1 371 . 1 1 39 39 GLN C C 13 173.343 . . 1 . 337 . . 39 GLN C . 18459 1 372 . 1 1 39 39 GLN CA C 13 54.631 0.019 . 1 . 338 . . 39 GLN CA . 18459 1 373 . 1 1 39 39 GLN CB C 13 28.911 0.042 . 1 . 339 . . 39 GLN CB . 18459 1 374 . 1 1 39 39 GLN CG C 13 33.112 0.038 . 1 . 340 . . 39 GLN CG . 18459 1 375 . 1 1 39 39 GLN N N 15 124.870 0.044 . 1 . 349 . . 39 GLN N . 18459 1 376 . 1 1 39 39 GLN NE2 N 15 113.265 . . 1 . 350 . . 39 GLN NE2 . 18459 1 377 . 1 1 40 40 ASP H H 1 8.396 0.004 . 1 . 354 . . 40 ASP H . 18459 1 378 . 1 1 40 40 ASP HA H 1 3.765 0.006 . 1 . 355 . . 40 ASP HA . 18459 1 379 . 1 1 40 40 ASP HB2 H 1 2.258 0.002 . 2 . 356 . . 40 ASP HB2 . 18459 1 380 . 1 1 40 40 ASP HB3 H 1 2.864 0.007 . 2 . 357 . . 40 ASP HB3 . 18459 1 381 . 1 1 40 40 ASP C C 13 173.480 . . 1 . 351 . . 40 ASP C . 18459 1 382 . 1 1 40 40 ASP CA C 13 55.298 0.018 . 1 . 352 . . 40 ASP CA . 18459 1 383 . 1 1 40 40 ASP CB C 13 40.215 0.048 . 1 . 353 . . 40 ASP CB . 18459 1 384 . 1 1 40 40 ASP N N 15 126.748 0.059 . 1 . 358 . . 40 ASP N . 18459 1 385 . 1 1 41 41 VAL H H 1 7.980 0.002 . 1 . 364 . . 41 VAL H . 18459 1 386 . 1 1 41 41 VAL HA H 1 4.223 0.003 . 1 . 365 . . 41 VAL HA . 18459 1 387 . 1 1 41 41 VAL HB H 1 1.513 0.002 . 1 . 366 . . 41 VAL HB . 18459 1 388 . 1 1 41 41 VAL HG11 H 1 0.973 0.001 . 2 . 367 . . 41 VAL HG11 . 18459 1 389 . 1 1 41 41 VAL HG12 H 1 0.973 0.001 . 2 . 367 . . 41 VAL HG12 . 18459 1 390 . 1 1 41 41 VAL HG13 H 1 0.973 0.001 . 2 . 367 . . 41 VAL HG13 . 18459 1 391 . 1 1 41 41 VAL HG21 H 1 0.923 . . 2 . 368 . . 41 VAL HG21 . 18459 1 392 . 1 1 41 41 VAL HG22 H 1 0.923 . . 2 . 368 . . 41 VAL HG22 . 18459 1 393 . 1 1 41 41 VAL HG23 H 1 0.923 . . 2 . 368 . . 41 VAL HG23 . 18459 1 394 . 1 1 41 41 VAL C C 13 175.258 . . 1 . 359 . . 41 VAL C . 18459 1 395 . 1 1 41 41 VAL CA C 13 60.834 0.018 . 1 . 360 . . 41 VAL CA . 18459 1 396 . 1 1 41 41 VAL CB C 13 34.636 0.058 . 1 . 361 . . 41 VAL CB . 18459 1 397 . 1 1 41 41 VAL CG1 C 13 22.862 0.004 . 2 . 362 . . 41 VAL CG1 . 18459 1 398 . 1 1 41 41 VAL CG2 C 13 21.496 0.006 . 2 . 363 . . 41 VAL CG2 . 18459 1 399 . 1 1 41 41 VAL N N 15 118.411 0.047 . 1 . 369 . . 41 VAL N . 18459 1 400 . 1 1 42 42 GLU H H 1 8.527 0.002 . 1 . 374 . . 42 GLU H . 18459 1 401 . 1 1 42 42 GLU HA H 1 4.299 0.003 . 1 . 375 . . 42 GLU HA . 18459 1 402 . 1 1 42 42 GLU HB2 H 1 2.189 0.001 . 2 . 376 . . 42 GLU HB2 . 18459 1 403 . 1 1 42 42 GLU HB3 H 1 1.925 0.004 . 2 . 377 . . 42 GLU HB3 . 18459 1 404 . 1 1 42 42 GLU HG2 H 1 2.297 0.004 . 2 . 378 . . 42 GLU HG2 . 18459 1 405 . 1 1 42 42 GLU HG3 H 1 2.371 0.007 . 2 . 379 . . 42 GLU HG3 . 18459 1 406 . 1 1 42 42 GLU C C 13 178.115 . . 1 . 370 . . 42 GLU C . 18459 1 407 . 1 1 42 42 GLU CA C 13 57.332 0.032 . 1 . 371 . . 42 GLU CA . 18459 1 408 . 1 1 42 42 GLU CB C 13 29.522 0.057 . 1 . 372 . . 42 GLU CB . 18459 1 409 . 1 1 42 42 GLU CG C 13 37.032 0.014 . 1 . 373 . . 42 GLU CG . 18459 1 410 . 1 1 42 42 GLU N N 15 124.933 0.04 . 1 . 380 . . 42 GLU N . 18459 1 411 . 1 1 43 43 ILE H H 1 8.815 0.005 . 1 . 387 . . 43 ILE H . 18459 1 412 . 1 1 43 43 ILE HA H 1 3.347 0.005 . 1 . 388 . . 43 ILE HA . 18459 1 413 . 1 1 43 43 ILE HB H 1 1.415 0.002 . 1 . 389 . . 43 ILE HB . 18459 1 414 . 1 1 43 43 ILE HG12 H 1 1.204 0.003 . 2 . 391 . . 43 ILE HG12 . 18459 1 415 . 1 1 43 43 ILE HG13 H 1 0.857 0.002 . 2 . 392 . . 43 ILE HG13 . 18459 1 416 . 1 1 43 43 ILE HG21 H 1 0.503 0.002 . 1 . 393 . . 43 ILE HG21 . 18459 1 417 . 1 1 43 43 ILE HG22 H 1 0.503 0.002 . 1 . 393 . . 43 ILE HG22 . 18459 1 418 . 1 1 43 43 ILE HG23 H 1 0.503 0.002 . 1 . 393 . . 43 ILE HG23 . 18459 1 419 . 1 1 43 43 ILE HD11 H 1 0.574 0.003 . 1 . 390 . . 43 ILE HD11 . 18459 1 420 . 1 1 43 43 ILE HD12 H 1 0.574 0.003 . 1 . 390 . . 43 ILE HD12 . 18459 1 421 . 1 1 43 43 ILE HD13 H 1 0.574 0.003 . 1 . 390 . . 43 ILE HD13 . 18459 1 422 . 1 1 43 43 ILE C C 13 177.483 . . 1 . 381 . . 43 ILE C . 18459 1 423 . 1 1 43 43 ILE CA C 13 64.247 0.007 . 1 . 382 . . 43 ILE CA . 18459 1 424 . 1 1 43 43 ILE CB C 13 37.079 0.062 . 1 . 383 . . 43 ILE CB . 18459 1 425 . 1 1 43 43 ILE CG1 C 13 29.225 0.028 . 1 . 385 . . 43 ILE CG1 . 18459 1 426 . 1 1 43 43 ILE CG2 C 13 17.184 0.015 . 1 . 386 . . 43 ILE CG2 . 18459 1 427 . 1 1 43 43 ILE CD1 C 13 13.032 0.012 . 1 . 384 . . 43 ILE CD1 . 18459 1 428 . 1 1 43 43 ILE N N 15 126.006 0.033 . 1 . 394 . . 43 ILE N . 18459 1 429 . 1 1 44 44 ARG H H 1 8.943 0.003 . 1 . 400 . . 44 ARG H . 18459 1 430 . 1 1 44 44 ARG HA H 1 3.592 0.007 . 1 . 401 . . 44 ARG HA . 18459 1 431 . 1 1 44 44 ARG HB2 H 1 1.717 0.002 . 2 . 402 . . 44 ARG HB2 . 18459 1 432 . 1 1 44 44 ARG HB3 H 1 1.780 0.003 . 2 . 403 . . 44 ARG HB3 . 18459 1 433 . 1 1 44 44 ARG HG2 H 1 1.267 0.003 . 2 . 407 . . 44 ARG HG2 . 18459 1 434 . 1 1 44 44 ARG HG3 H 1 1.716 0.003 . 2 . 408 . . 44 ARG HG3 . 18459 1 435 . 1 1 44 44 ARG HD2 H 1 3.276 0.004 . 2 . 404 . . 44 ARG HD2 . 18459 1 436 . 1 1 44 44 ARG HD3 H 1 3.174 0.005 . 2 . 405 . . 44 ARG HD3 . 18459 1 437 . 1 1 44 44 ARG HE H 1 7.246 0.003 . 1 . 406 . . 44 ARG HE . 18459 1 438 . 1 1 44 44 ARG C C 13 178.406 . . 1 . 395 . . 44 ARG C . 18459 1 439 . 1 1 44 44 ARG CA C 13 60.753 0.012 . 1 . 396 . . 44 ARG CA . 18459 1 440 . 1 1 44 44 ARG CB C 13 29.897 0.029 . 1 . 397 . . 44 ARG CB . 18459 1 441 . 1 1 44 44 ARG CG C 13 28.897 0.044 . 1 . 399 . . 44 ARG CG . 18459 1 442 . 1 1 44 44 ARG CD C 13 42.940 . . 1 . 398 . . 44 ARG CD . 18459 1 443 . 1 1 44 44 ARG N N 15 117.882 0.041 . 1 . 409 . . 44 ARG N . 18459 1 444 . 1 1 44 44 ARG NE N 15 83.684 0.054 . 1 . 410 . . 44 ARG NE . 18459 1 445 . 1 1 45 45 THR H H 1 6.977 0.002 . 1 . 415 . . 45 THR H . 18459 1 446 . 1 1 45 45 THR HA H 1 3.892 0.003 . 1 . 416 . . 45 THR HA . 18459 1 447 . 1 1 45 45 THR HB H 1 4.227 0.006 . 1 . 417 . . 45 THR HB . 18459 1 448 . 1 1 45 45 THR HG21 H 1 1.095 0.004 . 1 . 418 . . 45 THR HG21 . 18459 1 449 . 1 1 45 45 THR HG22 H 1 1.095 0.004 . 1 . 418 . . 45 THR HG22 . 18459 1 450 . 1 1 45 45 THR HG23 H 1 1.095 0.004 . 1 . 418 . . 45 THR HG23 . 18459 1 451 . 1 1 45 45 THR C C 13 175.476 . . 1 . 411 . . 45 THR C . 18459 1 452 . 1 1 45 45 THR CA C 13 66.162 0.017 . 1 . 412 . . 45 THR CA . 18459 1 453 . 1 1 45 45 THR CB C 13 68.240 0.011 . 1 . 413 . . 45 THR CB . 18459 1 454 . 1 1 45 45 THR CG2 C 13 21.960 0.075 . 1 . 414 . . 45 THR CG2 . 18459 1 455 . 1 1 45 45 THR N N 15 116.800 0.047 . 1 . 419 . . 45 THR N . 18459 1 456 . 1 1 46 46 ILE H H 1 7.458 0.003 . 1 . 426 . . 46 ILE H . 18459 1 457 . 1 1 46 46 ILE HA H 1 2.985 0.004 . 1 . 427 . . 46 ILE HA . 18459 1 458 . 1 1 46 46 ILE HB H 1 1.647 0.007 . 1 . 428 . . 46 ILE HB . 18459 1 459 . 1 1 46 46 ILE HG12 H 1 1.088 . . 2 . 430 . . 46 ILE HG12 . 18459 1 460 . 1 1 46 46 ILE HG13 H 1 1.086 0.004 . 2 . 431 . . 46 ILE HG13 . 18459 1 461 . 1 1 46 46 ILE HG21 H 1 0.388 0.004 . 1 . 432 . . 46 ILE HG21 . 18459 1 462 . 1 1 46 46 ILE HG22 H 1 0.388 0.004 . 1 . 432 . . 46 ILE HG22 . 18459 1 463 . 1 1 46 46 ILE HG23 H 1 0.388 0.004 . 1 . 432 . . 46 ILE HG23 . 18459 1 464 . 1 1 46 46 ILE HD11 H 1 0.361 0.002 . 1 . 429 . . 46 ILE HD11 . 18459 1 465 . 1 1 46 46 ILE HD12 H 1 0.361 0.002 . 1 . 429 . . 46 ILE HD12 . 18459 1 466 . 1 1 46 46 ILE HD13 H 1 0.361 0.002 . 1 . 429 . . 46 ILE HD13 . 18459 1 467 . 1 1 46 46 ILE C C 13 177.830 . . 1 . 420 . . 46 ILE C . 18459 1 468 . 1 1 46 46 ILE CA C 13 65.898 0.04 . 1 . 421 . . 46 ILE CA . 18459 1 469 . 1 1 46 46 ILE CB C 13 37.242 0.005 . 1 . 422 . . 46 ILE CB . 18459 1 470 . 1 1 46 46 ILE CG1 C 13 27.428 0.052 . 1 . 424 . . 46 ILE CG1 . 18459 1 471 . 1 1 46 46 ILE CG2 C 13 15.949 0.013 . 1 . 425 . . 46 ILE CG2 . 18459 1 472 . 1 1 46 46 ILE CD1 C 13 14.118 0.005 . 1 . 423 . . 46 ILE CD1 . 18459 1 473 . 1 1 46 46 ILE N N 15 122.444 0.046 . 1 . 433 . . 46 ILE N . 18459 1 474 . 1 1 47 47 LEU H H 1 8.245 0.006 . 1 . 440 . . 47 LEU H . 18459 1 475 . 1 1 47 47 LEU HA H 1 3.759 0.004 . 1 . 441 . . 47 LEU HA . 18459 1 476 . 1 1 47 47 LEU HB2 H 1 1.113 0.004 . 2 . 442 . . 47 LEU HB2 . 18459 1 477 . 1 1 47 47 LEU HB3 H 1 1.811 0.004 . 2 . 443 . . 47 LEU HB3 . 18459 1 478 . 1 1 47 47 LEU HG H 1 1.694 . . 1 . 446 . . 47 LEU HG . 18459 1 479 . 1 1 47 47 LEU HD11 H 1 0.556 0.005 . 2 . 444 . . 47 LEU HD11 . 18459 1 480 . 1 1 47 47 LEU HD12 H 1 0.556 0.005 . 2 . 444 . . 47 LEU HD12 . 18459 1 481 . 1 1 47 47 LEU HD13 H 1 0.556 0.005 . 2 . 444 . . 47 LEU HD13 . 18459 1 482 . 1 1 47 47 LEU HD21 H 1 0.567 . . 2 . 445 . . 47 LEU HD21 . 18459 1 483 . 1 1 47 47 LEU HD22 H 1 0.567 . . 2 . 445 . . 47 LEU HD22 . 18459 1 484 . 1 1 47 47 LEU HD23 H 1 0.567 . . 2 . 445 . . 47 LEU HD23 . 18459 1 485 . 1 1 47 47 LEU C C 13 178.065 . . 1 . 434 . . 47 LEU C . 18459 1 486 . 1 1 47 47 LEU CA C 13 58.049 0.019 . 1 . 435 . . 47 LEU CA . 18459 1 487 . 1 1 47 47 LEU CB C 13 40.894 0.023 . 1 . 436 . . 47 LEU CB . 18459 1 488 . 1 1 47 47 LEU CG C 13 26.415 . . 1 . 439 . . 47 LEU CG . 18459 1 489 . 1 1 47 47 LEU CD1 C 13 22.141 0.011 . 2 . 437 . . 47 LEU CD1 . 18459 1 490 . 1 1 47 47 LEU CD2 C 13 26.422 . . 2 . 438 . . 47 LEU CD2 . 18459 1 491 . 1 1 47 47 LEU N N 15 116.073 0.044 . 1 . 447 . . 47 LEU N . 18459 1 492 . 1 1 48 48 GLN H H 1 7.435 0.002 . 1 . 452 . . 48 GLN H . 18459 1 493 . 1 1 48 48 GLN HA H 1 4.091 0.006 . 1 . 453 . . 48 GLN HA . 18459 1 494 . 1 1 48 48 GLN HB2 H 1 2.151 0.004 . 2 . 454 . . 48 GLN HB2 . 18459 1 495 . 1 1 48 48 GLN HB3 H 1 2.247 0.003 . 2 . 455 . . 48 GLN HB3 . 18459 1 496 . 1 1 48 48 GLN HG2 H 1 2.526 0.002 . 2 . 458 . . 48 GLN HG2 . 18459 1 497 . 1 1 48 48 GLN HG3 H 1 2.402 0.003 . 2 . 459 . . 48 GLN HG3 . 18459 1 498 . 1 1 48 48 GLN HE21 H 1 6.862 0.001 . 1 . 456 . . 48 GLN HE21 . 18459 1 499 . 1 1 48 48 GLN HE22 H 1 7.429 . . 1 . 457 . . 48 GLN HE22 . 18459 1 500 . 1 1 48 48 GLN C C 13 179.313 . . 1 . 448 . . 48 GLN C . 18459 1 501 . 1 1 48 48 GLN CA C 13 58.619 0.033 . 1 . 449 . . 48 GLN CA . 18459 1 502 . 1 1 48 48 GLN CB C 13 28.161 0.046 . 1 . 450 . . 48 GLN CB . 18459 1 503 . 1 1 48 48 GLN CG C 13 33.812 0.064 . 1 . 451 . . 48 GLN CG . 18459 1 504 . 1 1 48 48 GLN N N 15 118.286 0.039 . 1 . 460 . . 48 GLN N . 18459 1 505 . 1 1 48 48 GLN NE2 N 15 111.890 . . 1 . 461 . . 48 GLN NE2 . 18459 1 506 . 1 1 49 49 ILE H H 1 8.044 0.001 . 1 . 468 . . 49 ILE H . 18459 1 507 . 1 1 49 49 ILE HA H 1 3.768 . . 1 . 469 . . 49 ILE HA . 18459 1 508 . 1 1 49 49 ILE HB H 1 2.069 0.001 . 1 . 470 . . 49 ILE HB . 18459 1 509 . 1 1 49 49 ILE HG12 H 1 1.750 0.002 . 2 . 472 . . 49 ILE HG12 . 18459 1 510 . 1 1 49 49 ILE HG13 H 1 1.279 0.003 . 2 . 473 . . 49 ILE HG13 . 18459 1 511 . 1 1 49 49 ILE HG21 H 1 1.015 0.002 . 1 . 474 . . 49 ILE HG21 . 18459 1 512 . 1 1 49 49 ILE HG22 H 1 1.015 0.002 . 1 . 474 . . 49 ILE HG22 . 18459 1 513 . 1 1 49 49 ILE HG23 H 1 1.015 0.002 . 1 . 474 . . 49 ILE HG23 . 18459 1 514 . 1 1 49 49 ILE HD11 H 1 0.877 0.001 . 1 . 471 . . 49 ILE HD11 . 18459 1 515 . 1 1 49 49 ILE HD12 H 1 0.877 0.001 . 1 . 471 . . 49 ILE HD12 . 18459 1 516 . 1 1 49 49 ILE HD13 H 1 0.877 0.001 . 1 . 471 . . 49 ILE HD13 . 18459 1 517 . 1 1 49 49 ILE C C 13 178.606 . . 1 . 462 . . 49 ILE C . 18459 1 518 . 1 1 49 49 ILE CA C 13 64.822 0.023 . 1 . 463 . . 49 ILE CA . 18459 1 519 . 1 1 49 49 ILE CB C 13 37.442 0.001 . 1 . 464 . . 49 ILE CB . 18459 1 520 . 1 1 49 49 ILE CG1 C 13 29.185 0.031 . 1 . 466 . . 49 ILE CG1 . 18459 1 521 . 1 1 49 49 ILE CG2 C 13 17.508 0.004 . 1 . 467 . . 49 ILE CG2 . 18459 1 522 . 1 1 49 49 ILE CD1 C 13 13.261 0.005 . 1 . 465 . . 49 ILE CD1 . 18459 1 523 . 1 1 49 49 ILE N N 15 123.021 0.013 . 1 . 475 . . 49 ILE N . 18459 1 524 . 1 1 50 50 LEU H H 1 8.410 0.004 . 1 . 482 . . 50 LEU H . 18459 1 525 . 1 1 50 50 LEU HA H 1 3.882 0.005 . 1 . 483 . . 50 LEU HA . 18459 1 526 . 1 1 50 50 LEU HB2 H 1 1.888 0.004 . 2 . 484 . . 50 LEU HB2 . 18459 1 527 . 1 1 50 50 LEU HB3 H 1 1.241 . . 2 . 485 . . 50 LEU HB3 . 18459 1 528 . 1 1 50 50 LEU HG H 1 1.837 0.001 . 1 . 488 . . 50 LEU HG . 18459 1 529 . 1 1 50 50 LEU HD11 H 1 0.692 0.002 . 2 . 486 . . 50 LEU HD11 . 18459 1 530 . 1 1 50 50 LEU HD12 H 1 0.692 0.002 . 2 . 486 . . 50 LEU HD12 . 18459 1 531 . 1 1 50 50 LEU HD13 H 1 0.692 0.002 . 2 . 486 . . 50 LEU HD13 . 18459 1 532 . 1 1 50 50 LEU HD21 H 1 0.833 0.006 . 2 . 487 . . 50 LEU HD21 . 18459 1 533 . 1 1 50 50 LEU HD22 H 1 0.833 0.006 . 2 . 487 . . 50 LEU HD22 . 18459 1 534 . 1 1 50 50 LEU HD23 H 1 0.833 0.006 . 2 . 487 . . 50 LEU HD23 . 18459 1 535 . 1 1 50 50 LEU C C 13 179.930 . . 1 . 476 . . 50 LEU C . 18459 1 536 . 1 1 50 50 LEU CA C 13 58.024 0.013 . 1 . 477 . . 50 LEU CA . 18459 1 537 . 1 1 50 50 LEU CB C 13 41.169 0.028 . 1 . 478 . . 50 LEU CB . 18459 1 538 . 1 1 50 50 LEU CG C 13 26.895 0.001 . 1 . 481 . . 50 LEU CG . 18459 1 539 . 1 1 50 50 LEU CD1 C 13 25.887 0.056 . 2 . 479 . . 50 LEU CD1 . 18459 1 540 . 1 1 50 50 LEU CD2 C 13 23.357 0.049 . 2 . 480 . . 50 LEU CD2 . 18459 1 541 . 1 1 50 50 LEU N N 15 119.417 0.028 . 1 . 489 . . 50 LEU N . 18459 1 542 . 1 1 51 51 ALA H H 1 8.562 0.004 . 1 . 493 . . 51 ALA H . 18459 1 543 . 1 1 51 51 ALA HA H 1 3.765 . . 1 . 494 . . 51 ALA HA . 18459 1 544 . 1 1 51 51 ALA HB1 H 1 1.594 0.003 . 1 . 495 . . 51 ALA HB1 . 18459 1 545 . 1 1 51 51 ALA HB2 H 1 1.594 0.003 . 1 . 495 . . 51 ALA HB2 . 18459 1 546 . 1 1 51 51 ALA HB3 H 1 1.594 0.003 . 1 . 495 . . 51 ALA HB3 . 18459 1 547 . 1 1 51 51 ALA C C 13 179.068 . . 1 . 490 . . 51 ALA C . 18459 1 548 . 1 1 51 51 ALA CA C 13 55.522 0.009 . 1 . 491 . . 51 ALA CA . 18459 1 549 . 1 1 51 51 ALA CB C 13 18.480 0.055 . 1 . 492 . . 51 ALA CB . 18459 1 550 . 1 1 51 51 ALA N N 15 124.486 0.047 . 1 . 496 . . 51 ALA N . 18459 1 551 . 1 1 52 52 LYS H H 1 7.638 0.002 . 1 . 503 . . 52 LYS H . 18459 1 552 . 1 1 52 52 LYS HA H 1 3.912 0.005 . 1 . 504 . . 52 LYS HA . 18459 1 553 . 1 1 52 52 LYS HB2 H 1 1.957 0.005 . 2 . 505 . . 52 LYS HB2 . 18459 1 554 . 1 1 52 52 LYS HB3 H 1 1.955 . . 2 . 506 . . 52 LYS HB3 . 18459 1 555 . 1 1 52 52 LYS HG2 H 1 1.479 0.004 . 2 . 511 . . 52 LYS HG2 . 18459 1 556 . 1 1 52 52 LYS HG3 H 1 1.372 0.001 . 2 . 512 . . 52 LYS HG3 . 18459 1 557 . 1 1 52 52 LYS HD2 H 1 1.620 . . 2 . 507 . . 52 LYS HD2 . 18459 1 558 . 1 1 52 52 LYS HD3 H 1 1.628 0.002 . 2 . 508 . . 52 LYS HD3 . 18459 1 559 . 1 1 52 52 LYS HE2 H 1 2.913 0.011 . 2 . 509 . . 52 LYS HE2 . 18459 1 560 . 1 1 52 52 LYS HE3 H 1 2.894 . . 2 . 510 . . 52 LYS HE3 . 18459 1 561 . 1 1 52 52 LYS C C 13 179.676 . . 1 . 497 . . 52 LYS C . 18459 1 562 . 1 1 52 52 LYS CA C 13 59.061 0.006 . 1 . 498 . . 52 LYS CA . 18459 1 563 . 1 1 52 52 LYS CB C 13 31.982 0.054 . 1 . 499 . . 52 LYS CB . 18459 1 564 . 1 1 52 52 LYS CG C 13 24.666 0.015 . 1 . 502 . . 52 LYS CG . 18459 1 565 . 1 1 52 52 LYS CD C 13 29.141 0.003 . 1 . 500 . . 52 LYS CD . 18459 1 566 . 1 1 52 52 LYS CE C 13 42.053 0.042 . 1 . 501 . . 52 LYS CE . 18459 1 567 . 1 1 52 52 LYS N N 15 119.261 0.025 . 1 . 513 . . 52 LYS N . 18459 1 568 . 1 1 53 53 GLU H H 1 8.127 0.003 . 1 . 518 . . 53 GLU H . 18459 1 569 . 1 1 53 53 GLU HA H 1 4.024 0.005 . 1 . 519 . . 53 GLU HA . 18459 1 570 . 1 1 53 53 GLU HB2 H 1 1.940 0.003 . 2 . 520 . . 53 GLU HB2 . 18459 1 571 . 1 1 53 53 GLU HB3 H 1 1.632 . . 2 . 521 . . 53 GLU HB3 . 18459 1 572 . 1 1 53 53 GLU HG2 H 1 2.436 0.003 . 2 . 522 . . 53 GLU HG2 . 18459 1 573 . 1 1 53 53 GLU HG3 H 1 2.088 . . 2 . 523 . . 53 GLU HG3 . 18459 1 574 . 1 1 53 53 GLU C C 13 177.632 . . 1 . 514 . . 53 GLU C . 18459 1 575 . 1 1 53 53 GLU CA C 13 57.614 0.032 . 1 . 515 . . 53 GLU CA . 18459 1 576 . 1 1 53 53 GLU CB C 13 29.572 0.064 . 1 . 516 . . 53 GLU CB . 18459 1 577 . 1 1 53 53 GLU CG C 13 35.121 0.049 . 1 . 517 . . 53 GLU CG . 18459 1 578 . 1 1 53 53 GLU N N 15 115.919 0.028 . 1 . 524 . . 53 GLU N . 18459 1 579 . 1 1 54 54 SER H H 1 7.586 0.003 . 1 . 528 . . 54 SER H . 18459 1 580 . 1 1 54 54 SER HA H 1 3.074 0.005 . 1 . 529 . . 54 SER HA . 18459 1 581 . 1 1 54 54 SER HB2 H 1 2.322 0.003 . 2 . 530 . . 54 SER HB2 . 18459 1 582 . 1 1 54 54 SER HB3 H 1 2.145 0.001 . 2 . 531 . . 54 SER HB3 . 18459 1 583 . 1 1 54 54 SER C C 13 175.381 . . 1 . 525 . . 54 SER C . 18459 1 584 . 1 1 54 54 SER CA C 13 59.446 0.017 . 1 . 526 . . 54 SER CA . 18459 1 585 . 1 1 54 54 SER CB C 13 64.325 0.03 . 1 . 527 . . 54 SER CB . 18459 1 586 . 1 1 54 54 SER N N 15 110.984 0.027 . 1 . 532 . . 54 SER N . 18459 1 587 . 1 1 55 55 GLY H H 1 7.619 0.004 . 1 . 535 . . 55 GLY H . 18459 1 588 . 1 1 55 55 GLY HA2 H 1 3.616 . . 2 . 536 . . 55 GLY HA2 . 18459 1 589 . 1 1 55 55 GLY HA3 H 1 3.944 . . 2 . 537 . . 55 GLY HA3 . 18459 1 590 . 1 1 55 55 GLY C C 13 173.837 . . 1 . 533 . . 55 GLY C . 18459 1 591 . 1 1 55 55 GLY CA C 13 45.698 0.003 . 1 . 534 . . 55 GLY CA . 18459 1 592 . 1 1 55 55 GLY N N 15 110.918 0.038 . 1 . 538 . . 55 GLY N . 18459 1 593 . 1 1 56 56 MET H H 1 7.856 0.005 . 1 . 544 . . 56 MET H . 18459 1 594 . 1 1 56 56 MET HA H 1 4.407 0.004 . 1 . 545 . . 56 MET HA . 18459 1 595 . 1 1 56 56 MET HB2 H 1 1.539 0.001 . 2 . 546 . . 56 MET HB2 . 18459 1 596 . 1 1 56 56 MET HB3 H 1 1.542 . . 2 . 547 . . 56 MET HB3 . 18459 1 597 . 1 1 56 56 MET HG2 H 1 1.922 0.001 . 2 . 549 . . 56 MET HG2 . 18459 1 598 . 1 1 56 56 MET HG3 H 1 2.050 0.003 . 2 . 550 . . 56 MET HG3 . 18459 1 599 . 1 1 56 56 MET HE1 H 1 1.899 . . 1 . 548 . . 56 MET HE1 . 18459 1 600 . 1 1 56 56 MET HE2 H 1 1.899 . . 1 . 548 . . 56 MET HE2 . 18459 1 601 . 1 1 56 56 MET HE3 H 1 1.899 . . 1 . 548 . . 56 MET HE3 . 18459 1 602 . 1 1 56 56 MET C C 13 174.918 . . 1 . 539 . . 56 MET C . 18459 1 603 . 1 1 56 56 MET CA C 13 53.971 0.021 . 1 . 540 . . 56 MET CA . 18459 1 604 . 1 1 56 56 MET CB C 13 34.077 0.054 . 1 . 541 . . 56 MET CB . 18459 1 605 . 1 1 56 56 MET CG C 13 32.056 0.043 . 1 . 543 . . 56 MET CG . 18459 1 606 . 1 1 56 56 MET CE C 13 17.175 . . 1 . 542 . . 56 MET CE . 18459 1 607 . 1 1 56 56 MET N N 15 119.458 0.049 . 1 . 551 . . 56 MET N . 18459 1 608 . 1 1 57 57 ASN H H 1 8.505 0.003 . 1 . 555 . . 57 ASN H . 18459 1 609 . 1 1 57 57 ASN HA H 1 4.689 0.01 . 1 . 556 . . 57 ASN HA . 18459 1 610 . 1 1 57 57 ASN HB2 H 1 2.684 0.001 . 2 . 557 . . 57 ASN HB2 . 18459 1 611 . 1 1 57 57 ASN HB3 H 1 2.819 0.004 . 2 . 558 . . 57 ASN HB3 . 18459 1 612 . 1 1 57 57 ASN HD21 H 1 6.745 . . 1 . 559 . . 57 ASN HD21 . 18459 1 613 . 1 1 57 57 ASN HD22 H 1 6.999 . . 1 . 560 . . 57 ASN HD22 . 18459 1 614 . 1 1 57 57 ASN C C 13 173.727 . . 1 . 552 . . 57 ASN C . 18459 1 615 . 1 1 57 57 ASN CA C 13 51.938 0.04 . 1 . 553 . . 57 ASN CA . 18459 1 616 . 1 1 57 57 ASN CB C 13 37.931 0.012 . 1 . 554 . . 57 ASN CB . 18459 1 617 . 1 1 57 57 ASN N N 15 120.625 0.027 . 1 . 561 . . 57 ASN N . 18459 1 618 . 1 1 57 57 ASN ND2 N 15 110.960 . . 1 . 562 . . 57 ASN ND2 . 18459 1 619 . 1 1 58 58 ILE H H 1 7.427 0.003 . 1 . 569 . . 58 ILE H . 18459 1 620 . 1 1 58 58 ILE HA H 1 4.668 . . 1 . 570 . . 58 ILE HA . 18459 1 621 . 1 1 58 58 ILE HB H 1 1.501 0.003 . 1 . 571 . . 58 ILE HB . 18459 1 622 . 1 1 58 58 ILE HG12 H 1 1.368 0.002 . 2 . 573 . . 58 ILE HG12 . 18459 1 623 . 1 1 58 58 ILE HG13 H 1 0.663 0.007 . 2 . 574 . . 58 ILE HG13 . 18459 1 624 . 1 1 58 58 ILE HG21 H 1 0.651 0.002 . 1 . 575 . . 58 ILE HG21 . 18459 1 625 . 1 1 58 58 ILE HG22 H 1 0.651 0.002 . 1 . 575 . . 58 ILE HG22 . 18459 1 626 . 1 1 58 58 ILE HG23 H 1 0.651 0.002 . 1 . 575 . . 58 ILE HG23 . 18459 1 627 . 1 1 58 58 ILE HD11 H 1 0.652 . . 1 . 572 . . 58 ILE HD11 . 18459 1 628 . 1 1 58 58 ILE HD12 H 1 0.652 . . 1 . 572 . . 58 ILE HD12 . 18459 1 629 . 1 1 58 58 ILE HD13 H 1 0.652 . . 1 . 572 . . 58 ILE HD13 . 18459 1 630 . 1 1 58 58 ILE C C 13 175.279 . . 1 . 563 . . 58 ILE C . 18459 1 631 . 1 1 58 58 ILE CA C 13 60.883 0.013 . 1 . 564 . . 58 ILE CA . 18459 1 632 . 1 1 58 58 ILE CB C 13 39.036 0.042 . 1 . 565 . . 58 ILE CB . 18459 1 633 . 1 1 58 58 ILE CG1 C 13 27.449 0.061 . 1 . 567 . . 58 ILE CG1 . 18459 1 634 . 1 1 58 58 ILE CG2 C 13 17.642 0.014 . 1 . 568 . . 58 ILE CG2 . 18459 1 635 . 1 1 58 58 ILE CD1 C 13 12.539 0.006 . 1 . 566 . . 58 ILE CD1 . 18459 1 636 . 1 1 58 58 ILE N N 15 123.136 0.06 . 1 . 576 . . 58 ILE N . 18459 1 637 . 1 1 59 59 VAL H H 1 8.999 0.006 . 1 . 582 . . 59 VAL H . 18459 1 638 . 1 1 59 59 VAL HA H 1 4.118 0.01 . 1 . 583 . . 59 VAL HA . 18459 1 639 . 1 1 59 59 VAL HB H 1 1.867 0.002 . 1 . 584 . . 59 VAL HB . 18459 1 640 . 1 1 59 59 VAL HG11 H 1 0.745 0.002 . 2 . 585 . . 59 VAL HG11 . 18459 1 641 . 1 1 59 59 VAL HG12 H 1 0.745 0.002 . 2 . 585 . . 59 VAL HG12 . 18459 1 642 . 1 1 59 59 VAL HG13 H 1 0.745 0.002 . 2 . 585 . . 59 VAL HG13 . 18459 1 643 . 1 1 59 59 VAL HG21 H 1 0.720 0.001 . 2 . 586 . . 59 VAL HG21 . 18459 1 644 . 1 1 59 59 VAL HG22 H 1 0.720 0.001 . 2 . 586 . . 59 VAL HG22 . 18459 1 645 . 1 1 59 59 VAL HG23 H 1 0.720 0.001 . 2 . 586 . . 59 VAL HG23 . 18459 1 646 . 1 1 59 59 VAL C C 13 174.531 . . 1 . 577 . . 59 VAL C . 18459 1 647 . 1 1 59 59 VAL CA C 13 61.275 0.043 . 1 . 578 . . 59 VAL CA . 18459 1 648 . 1 1 59 59 VAL CB C 13 33.718 0.043 . 1 . 579 . . 59 VAL CB . 18459 1 649 . 1 1 59 59 VAL CG1 C 13 20.933 . . 2 . 580 . . 59 VAL CG1 . 18459 1 650 . 1 1 59 59 VAL CG2 C 13 20.636 . . 2 . 581 . . 59 VAL CG2 . 18459 1 651 . 1 1 59 59 VAL N N 15 129.962 0.049 . 1 . 587 . . 59 VAL N . 18459 1 652 . 1 1 60 60 ALA H H 1 8.819 0.004 . 1 . 591 . . 60 ALA H . 18459 1 653 . 1 1 60 60 ALA HA H 1 5.076 0.006 . 1 . 592 . . 60 ALA HA . 18459 1 654 . 1 1 60 60 ALA HB1 H 1 1.155 0.001 . 1 . 593 . . 60 ALA HB1 . 18459 1 655 . 1 1 60 60 ALA HB2 H 1 1.155 0.001 . 1 . 593 . . 60 ALA HB2 . 18459 1 656 . 1 1 60 60 ALA HB3 H 1 1.155 0.001 . 1 . 593 . . 60 ALA HB3 . 18459 1 657 . 1 1 60 60 ALA C C 13 177.476 . . 1 . 588 . . 60 ALA C . 18459 1 658 . 1 1 60 60 ALA CA C 13 49.865 0.011 . 1 . 589 . . 60 ALA CA . 18459 1 659 . 1 1 60 60 ALA CB C 13 19.519 0.008 . 1 . 590 . . 60 ALA CB . 18459 1 660 . 1 1 60 60 ALA N N 15 130.085 0.043 . 1 . 594 . . 60 ALA N . 18459 1 661 . 1 1 61 61 SER H H 1 8.437 0.003 . 1 . 598 . . 61 SER H . 18459 1 662 . 1 1 61 61 SER HA H 1 4.386 0.005 . 1 . 599 . . 61 SER HA . 18459 1 663 . 1 1 61 61 SER HB2 H 1 3.879 0.009 . 2 . 600 . . 61 SER HB2 . 18459 1 664 . 1 1 61 61 SER HB3 H 1 3.772 . . 2 . 601 . . 61 SER HB3 . 18459 1 665 . 1 1 61 61 SER C C 13 175.549 . . 1 . 595 . . 61 SER C . 18459 1 666 . 1 1 61 61 SER CA C 13 58.232 0.023 . 1 . 596 . . 61 SER CA . 18459 1 667 . 1 1 61 61 SER CB C 13 63.931 0.002 . 1 . 597 . . 61 SER CB . 18459 1 668 . 1 1 61 61 SER N N 15 118.968 0.036 . 1 . 602 . . 61 SER N . 18459 1 669 . 1 1 62 62 ASP H H 1 8.947 0.006 . 1 . 606 . . 62 ASP H . 18459 1 670 . 1 1 62 62 ASP HA H 1 4.316 0.004 . 1 . 607 . . 62 ASP HA . 18459 1 671 . 1 1 62 62 ASP HB2 H 1 2.617 0.009 . 2 . 608 . . 62 ASP HB2 . 18459 1 672 . 1 1 62 62 ASP HB3 H 1 2.641 0.015 . 2 . 609 . . 62 ASP HB3 . 18459 1 673 . 1 1 62 62 ASP C C 13 176.280 . . 1 . 603 . . 62 ASP C . 18459 1 674 . 1 1 62 62 ASP CA C 13 56.911 0.014 . 1 . 604 . . 62 ASP CA . 18459 1 675 . 1 1 62 62 ASP CB C 13 40.117 0.034 . 1 . 605 . . 62 ASP CB . 18459 1 676 . 1 1 62 62 ASP N N 15 124.190 0.057 . 1 . 610 . . 62 ASP N . 18459 1 677 . 1 1 63 63 SER H H 1 7.854 0.003 . 1 . 614 . . 63 SER H . 18459 1 678 . 1 1 63 63 SER HA H 1 4.200 0.002 . 1 . 615 . . 63 SER HA . 18459 1 679 . 1 1 63 63 SER HB2 H 1 3.806 0.002 . 2 . 616 . . 63 SER HB2 . 18459 1 680 . 1 1 63 63 SER HB3 H 1 3.817 . . 2 . 617 . . 63 SER HB3 . 18459 1 681 . 1 1 63 63 SER C C 13 174.840 . . 1 . 611 . . 63 SER C . 18459 1 682 . 1 1 63 63 SER CA C 13 57.989 0.016 . 1 . 612 . . 63 SER CA . 18459 1 683 . 1 1 63 63 SER CB C 13 62.904 0.018 . 1 . 613 . . 63 SER CB . 18459 1 684 . 1 1 63 63 SER N N 15 111.107 0.049 . 1 . 618 . . 63 SER N . 18459 1 685 . 1 1 64 64 VAL H H 1 7.486 0.004 . 1 . 624 . . 64 VAL H . 18459 1 686 . 1 1 64 64 VAL HA H 1 3.736 0.005 . 1 . 625 . . 64 VAL HA . 18459 1 687 . 1 1 64 64 VAL HB H 1 2.098 0.004 . 1 . 626 . . 64 VAL HB . 18459 1 688 . 1 1 64 64 VAL HG11 H 1 0.633 0.013 . 2 . 627 . . 64 VAL HG11 . 18459 1 689 . 1 1 64 64 VAL HG12 H 1 0.633 0.013 . 2 . 627 . . 64 VAL HG12 . 18459 1 690 . 1 1 64 64 VAL HG13 H 1 0.633 0.013 . 2 . 627 . . 64 VAL HG13 . 18459 1 691 . 1 1 64 64 VAL HG21 H 1 0.894 0.001 . 2 . 628 . . 64 VAL HG21 . 18459 1 692 . 1 1 64 64 VAL HG22 H 1 0.894 0.001 . 2 . 628 . . 64 VAL HG22 . 18459 1 693 . 1 1 64 64 VAL HG23 H 1 0.894 0.001 . 2 . 628 . . 64 VAL HG23 . 18459 1 694 . 1 1 64 64 VAL C C 13 173.691 . . 1 . 619 . . 64 VAL C . 18459 1 695 . 1 1 64 64 VAL CA C 13 63.740 0.04 . 1 . 620 . . 64 VAL CA . 18459 1 696 . 1 1 64 64 VAL CB C 13 30.494 0.071 . 1 . 621 . . 64 VAL CB . 18459 1 697 . 1 1 64 64 VAL CG1 C 13 21.320 0.016 . 2 . 622 . . 64 VAL CG1 . 18459 1 698 . 1 1 64 64 VAL CG2 C 13 22.844 0.005 . 2 . 623 . . 64 VAL CG2 . 18459 1 699 . 1 1 64 64 VAL N N 15 123.305 0.039 . 1 . 629 . . 64 VAL N . 18459 1 700 . 1 1 65 65 ASN H H 1 7.942 0.002 . 1 . 633 . . 65 ASN H . 18459 1 701 . 1 1 65 65 ASN HA H 1 4.974 . . 1 . 634 . . 65 ASN HA . 18459 1 702 . 1 1 65 65 ASN HB2 H 1 2.730 . . 2 . 635 . . 65 ASN HB2 . 18459 1 703 . 1 1 65 65 ASN HB3 H 1 2.806 . . 2 . 636 . . 65 ASN HB3 . 18459 1 704 . 1 1 65 65 ASN HD21 H 1 6.804 . . 1 . 637 . . 65 ASN HD21 . 18459 1 705 . 1 1 65 65 ASN HD22 H 1 7.388 . . 1 . 638 . . 65 ASN HD22 . 18459 1 706 . 1 1 65 65 ASN C C 13 173.983 . . 1 . 630 . . 65 ASN C . 18459 1 707 . 1 1 65 65 ASN CA C 13 52.314 0.015 . 1 . 631 . . 65 ASN CA . 18459 1 708 . 1 1 65 65 ASN CB C 13 41.267 0.027 . 1 . 632 . . 65 ASN CB . 18459 1 709 . 1 1 65 65 ASN N N 15 125.037 0.036 . 1 . 639 . . 65 ASN N . 18459 1 710 . 1 1 65 65 ASN ND2 N 15 114.066 . . 1 . 640 . . 65 ASN ND2 . 18459 1 711 . 1 1 66 66 GLY H H 1 8.602 0.002 . 1 . 643 . . 66 GLY H . 18459 1 712 . 1 1 66 66 GLY HA2 H 1 4.436 . . 2 . 644 . . 66 GLY HA2 . 18459 1 713 . 1 1 66 66 GLY HA3 H 1 3.745 . . 2 . 645 . . 66 GLY HA3 . 18459 1 714 . 1 1 66 66 GLY C C 13 173.291 . . 1 . 641 . . 66 GLY C . 18459 1 715 . 1 1 66 66 GLY CA C 13 43.878 0.003 . 1 . 642 . . 66 GLY CA . 18459 1 716 . 1 1 66 66 GLY N N 15 107.515 0.024 . 1 . 646 . . 66 GLY N . 18459 1 717 . 1 1 67 67 LYS H H 1 8.312 0.008 . 1 . 653 . . 67 LYS H . 18459 1 718 . 1 1 67 67 LYS HA H 1 4.853 0.005 . 1 . 654 . . 67 LYS HA . 18459 1 719 . 1 1 67 67 LYS HB2 H 1 1.226 0.008 . 2 . 655 . . 67 LYS HB2 . 18459 1 720 . 1 1 67 67 LYS HB3 H 1 1.396 0.002 . 2 . 656 . . 67 LYS HB3 . 18459 1 721 . 1 1 67 67 LYS HG2 H 1 1.244 . . 2 . 661 . . 67 LYS HG2 . 18459 1 722 . 1 1 67 67 LYS HG3 H 1 0.949 . . 2 . 662 . . 67 LYS HG3 . 18459 1 723 . 1 1 67 67 LYS HD2 H 1 1.448 . . 2 . 657 . . 67 LYS HD2 . 18459 1 724 . 1 1 67 67 LYS HD3 H 1 1.374 . . 2 . 658 . . 67 LYS HD3 . 18459 1 725 . 1 1 67 67 LYS HE2 H 1 2.823 0.002 . 2 . 659 . . 67 LYS HE2 . 18459 1 726 . 1 1 67 67 LYS HE3 H 1 2.832 . . 2 . 660 . . 67 LYS HE3 . 18459 1 727 . 1 1 67 67 LYS C C 13 175.626 . . 1 . 647 . . 67 LYS C . 18459 1 728 . 1 1 67 67 LYS CA C 13 55.273 0.06 . 1 . 648 . . 67 LYS CA . 18459 1 729 . 1 1 67 67 LYS CB C 13 36.802 0.042 . 1 . 649 . . 67 LYS CB . 18459 1 730 . 1 1 67 67 LYS CG C 13 25.307 0.049 . 1 . 652 . . 67 LYS CG . 18459 1 731 . 1 1 67 67 LYS CD C 13 29.126 0.033 . 1 . 650 . . 67 LYS CD . 18459 1 732 . 1 1 67 67 LYS CE C 13 42.160 0.025 . 1 . 651 . . 67 LYS CE . 18459 1 733 . 1 1 67 67 LYS N N 15 118.325 0.042 . 1 . 663 . . 67 LYS N . 18459 1 734 . 1 1 68 68 MET H H 1 8.773 0.003 . 1 . 669 . . 68 MET H . 18459 1 735 . 1 1 68 68 MET HA H 1 4.619 0.002 . 1 . 670 . . 68 MET HA . 18459 1 736 . 1 1 68 68 MET HB2 H 1 1.848 0.002 . 2 . 671 . . 68 MET HB2 . 18459 1 737 . 1 1 68 68 MET HB3 H 1 1.662 0.003 . 2 . 672 . . 68 MET HB3 . 18459 1 738 . 1 1 68 68 MET HG2 H 1 2.136 0.002 . 2 . 674 . . 68 MET HG2 . 18459 1 739 . 1 1 68 68 MET HG3 H 1 2.138 . . 2 . 675 . . 68 MET HG3 . 18459 1 740 . 1 1 68 68 MET HE1 H 1 1.927 . . 1 . 673 . . 68 MET HE1 . 18459 1 741 . 1 1 68 68 MET HE2 H 1 1.927 . . 1 . 673 . . 68 MET HE2 . 18459 1 742 . 1 1 68 68 MET HE3 H 1 1.927 . . 1 . 673 . . 68 MET HE3 . 18459 1 743 . 1 1 68 68 MET C C 13 173.061 . . 1 . 664 . . 68 MET C . 18459 1 744 . 1 1 68 68 MET CA C 13 55.490 0.011 . 1 . 665 . . 68 MET CA . 18459 1 745 . 1 1 68 68 MET CB C 13 37.336 0.057 . 1 . 666 . . 68 MET CB . 18459 1 746 . 1 1 68 68 MET CG C 13 31.347 0.006 . 1 . 668 . . 68 MET CG . 18459 1 747 . 1 1 68 68 MET CE C 13 17.157 . . 1 . 667 . . 68 MET CE . 18459 1 748 . 1 1 68 68 MET N N 15 117.770 0.048 . 1 . 676 . . 68 MET N . 18459 1 749 . 1 1 69 69 THR H H 1 8.219 0.004 . 1 . 681 . . 69 THR H . 18459 1 750 . 1 1 69 69 THR HA H 1 4.780 0.005 . 1 . 682 . . 69 THR HA . 18459 1 751 . 1 1 69 69 THR HB H 1 3.922 0.001 . 1 . 683 . . 69 THR HB . 18459 1 752 . 1 1 69 69 THR HG21 H 1 1.283 0.003 . 1 . 684 . . 69 THR HG21 . 18459 1 753 . 1 1 69 69 THR HG22 H 1 1.283 0.003 . 1 . 684 . . 69 THR HG22 . 18459 1 754 . 1 1 69 69 THR HG23 H 1 1.283 0.003 . 1 . 684 . . 69 THR HG23 . 18459 1 755 . 1 1 69 69 THR C C 13 173.167 . . 1 . 677 . . 69 THR C . 18459 1 756 . 1 1 69 69 THR CA C 13 61.513 0.013 . 1 . 678 . . 69 THR CA . 18459 1 757 . 1 1 69 69 THR CB C 13 71.211 0.009 . 1 . 679 . . 69 THR CB . 18459 1 758 . 1 1 69 69 THR CG2 C 13 21.402 0.001 . 1 . 680 . . 69 THR CG2 . 18459 1 759 . 1 1 69 69 THR N N 15 119.464 0.051 . 1 . 685 . . 69 THR N . 18459 1 760 . 1 1 70 70 LEU H H 1 8.874 0.004 . 1 . 691 . . 70 LEU H . 18459 1 761 . 1 1 70 70 LEU HA H 1 4.554 0.001 . 1 . 692 . . 70 LEU HA . 18459 1 762 . 1 1 70 70 LEU HB2 H 1 1.399 0.005 . 2 . 693 . . 70 LEU HB2 . 18459 1 763 . 1 1 70 70 LEU HB3 H 1 1.613 0.005 . 2 . 694 . . 70 LEU HB3 . 18459 1 764 . 1 1 70 70 LEU HD11 H 1 0.841 . . 2 . 695 . . 70 LEU HD11 . 18459 1 765 . 1 1 70 70 LEU HD12 H 1 0.841 . . 2 . 695 . . 70 LEU HD12 . 18459 1 766 . 1 1 70 70 LEU HD13 H 1 0.841 . . 2 . 695 . . 70 LEU HD13 . 18459 1 767 . 1 1 70 70 LEU HD21 H 1 0.772 . . 2 . 696 . . 70 LEU HD21 . 18459 1 768 . 1 1 70 70 LEU HD22 H 1 0.772 . . 2 . 696 . . 70 LEU HD22 . 18459 1 769 . 1 1 70 70 LEU HD23 H 1 0.772 . . 2 . 696 . . 70 LEU HD23 . 18459 1 770 . 1 1 70 70 LEU C C 13 173.393 . . 1 . 686 . . 70 LEU C . 18459 1 771 . 1 1 70 70 LEU CA C 13 54.824 0.017 . 1 . 687 . . 70 LEU CA . 18459 1 772 . 1 1 70 70 LEU CB C 13 46.604 0.03 . 1 . 688 . . 70 LEU CB . 18459 1 773 . 1 1 70 70 LEU CD1 C 13 24.277 . . 2 . 689 . . 70 LEU CD1 . 18459 1 774 . 1 1 70 70 LEU CD2 C 13 23.094 . . 2 . 690 . . 70 LEU CD2 . 18459 1 775 . 1 1 70 70 LEU N N 15 127.641 0.024 . 1 . 697 . . 70 LEU N . 18459 1 776 . 1 1 71 71 SER H H 1 8.588 0.003 . 1 . 701 . . 71 SER H . 18459 1 777 . 1 1 71 71 SER HA H 1 5.041 0.004 . 1 . 702 . . 71 SER HA . 18459 1 778 . 1 1 71 71 SER HB2 H 1 3.607 0.015 . 2 . 703 . . 71 SER HB2 . 18459 1 779 . 1 1 71 71 SER HB3 H 1 3.652 0.008 . 2 . 704 . . 71 SER HB3 . 18459 1 780 . 1 1 71 71 SER C C 13 173.355 . . 1 . 698 . . 71 SER C . 18459 1 781 . 1 1 71 71 SER CA C 13 56.827 0.024 . 1 . 699 . . 71 SER CA . 18459 1 782 . 1 1 71 71 SER CB C 13 63.684 . . 1 . 700 . . 71 SER CB . 18459 1 783 . 1 1 71 71 SER N N 15 120.898 0.038 . 1 . 705 . . 71 SER N . 18459 1 784 . 1 1 72 72 LEU H H 1 8.777 0.004 . 1 . 712 . . 72 LEU H . 18459 1 785 . 1 1 72 72 LEU HA H 1 4.657 . . 1 . 713 . . 72 LEU HA . 18459 1 786 . 1 1 72 72 LEU HB2 H 1 1.258 0.008 . 2 . 714 . . 72 LEU HB2 . 18459 1 787 . 1 1 72 72 LEU HB3 H 1 1.635 0.013 . 2 . 715 . . 72 LEU HB3 . 18459 1 788 . 1 1 72 72 LEU HG H 1 1.484 . . 1 . 718 . . 72 LEU HG . 18459 1 789 . 1 1 72 72 LEU HD11 H 1 0.848 . . 2 . 716 . . 72 LEU HD11 . 18459 1 790 . 1 1 72 72 LEU HD12 H 1 0.848 . . 2 . 716 . . 72 LEU HD12 . 18459 1 791 . 1 1 72 72 LEU HD13 H 1 0.848 . . 2 . 716 . . 72 LEU HD13 . 18459 1 792 . 1 1 72 72 LEU HD21 H 1 0.791 0.004 . 2 . 717 . . 72 LEU HD21 . 18459 1 793 . 1 1 72 72 LEU HD22 H 1 0.791 0.004 . 2 . 717 . . 72 LEU HD22 . 18459 1 794 . 1 1 72 72 LEU HD23 H 1 0.791 0.004 . 2 . 717 . . 72 LEU HD23 . 18459 1 795 . 1 1 72 72 LEU C C 13 175.345 . . 1 . 706 . . 72 LEU C . 18459 1 796 . 1 1 72 72 LEU CA C 13 53.191 0.005 . 1 . 707 . . 72 LEU CA . 18459 1 797 . 1 1 72 72 LEU CB C 13 45.126 0.001 . 1 . 708 . . 72 LEU CB . 18459 1 798 . 1 1 72 72 LEU CG C 13 26.788 . . 1 . 711 . . 72 LEU CG . 18459 1 799 . 1 1 72 72 LEU CD1 C 13 23.613 . . 2 . 709 . . 72 LEU CD1 . 18459 1 800 . 1 1 72 72 LEU CD2 C 13 26.844 0.023 . 2 . 710 . . 72 LEU CD2 . 18459 1 801 . 1 1 72 72 LEU N N 15 125.804 0.039 . 1 . 719 . . 72 LEU N . 18459 1 802 . 1 1 73 73 LYS H H 1 8.636 0.005 . 1 . 726 . . 73 LYS H . 18459 1 803 . 1 1 73 73 LYS HA H 1 4.531 0.004 . 1 . 727 . . 73 LYS HA . 18459 1 804 . 1 1 73 73 LYS HB2 H 1 1.511 0.001 . 2 . 728 . . 73 LYS HB2 . 18459 1 805 . 1 1 73 73 LYS HB3 H 1 1.632 0.008 . 2 . 729 . . 73 LYS HB3 . 18459 1 806 . 1 1 73 73 LYS HG2 H 1 1.216 . . 2 . 734 . . 73 LYS HG2 . 18459 1 807 . 1 1 73 73 LYS HG3 H 1 1.155 . . 2 . 735 . . 73 LYS HG3 . 18459 1 808 . 1 1 73 73 LYS HD2 H 1 1.524 0.002 . 2 . 730 . . 73 LYS HD2 . 18459 1 809 . 1 1 73 73 LYS HD3 H 1 1.537 . . 2 . 731 . . 73 LYS HD3 . 18459 1 810 . 1 1 73 73 LYS HE2 H 1 2.839 . . 2 . 732 . . 73 LYS HE2 . 18459 1 811 . 1 1 73 73 LYS HE3 H 1 2.838 . . 2 . 733 . . 73 LYS HE3 . 18459 1 812 . 1 1 73 73 LYS C C 13 173.723 . . 1 . 720 . . 73 LYS C . 18459 1 813 . 1 1 73 73 LYS CA C 13 54.670 0.019 . 1 . 721 . . 73 LYS CA . 18459 1 814 . 1 1 73 73 LYS CB C 13 33.827 0.037 . 1 . 722 . . 73 LYS CB . 18459 1 815 . 1 1 73 73 LYS CG C 13 24.543 0.013 . 1 . 725 . . 73 LYS CG . 18459 1 816 . 1 1 73 73 LYS CD C 13 28.963 0.003 . 1 . 723 . . 73 LYS CD . 18459 1 817 . 1 1 73 73 LYS CE C 13 42.010 . . 1 . 724 . . 73 LYS CE . 18459 1 818 . 1 1 73 73 LYS N N 15 125.139 0.056 . 1 . 736 . . 73 LYS N . 18459 1 819 . 1 1 74 74 ASP H H 1 8.377 0.006 . 1 . 740 . . 74 ASP H . 18459 1 820 . 1 1 74 74 ASP HA H 1 3.790 0.003 . 1 . 741 . . 74 ASP HA . 18459 1 821 . 1 1 74 74 ASP HB2 H 1 2.446 0.003 . 2 . 742 . . 74 ASP HB2 . 18459 1 822 . 1 1 74 74 ASP HB3 H 1 2.733 0.001 . 2 . 743 . . 74 ASP HB3 . 18459 1 823 . 1 1 74 74 ASP C C 13 173.962 . . 1 . 737 . . 74 ASP C . 18459 1 824 . 1 1 74 74 ASP CA C 13 55.221 0.046 . 1 . 738 . . 74 ASP CA . 18459 1 825 . 1 1 74 74 ASP CB C 13 39.779 0.043 . 1 . 739 . . 74 ASP CB . 18459 1 826 . 1 1 74 74 ASP N N 15 126.493 0.057 . 1 . 744 . . 74 ASP N . 18459 1 827 . 1 1 75 75 VAL H H 1 8.614 0.003 . 1 . 749 . . 75 VAL H . 18459 1 828 . 1 1 75 75 VAL HA H 1 4.652 0.005 . 1 . 750 . . 75 VAL HA . 18459 1 829 . 1 1 75 75 VAL HB H 1 1.706 0.002 . 1 . 751 . . 75 VAL HB . 18459 1 830 . 1 1 75 75 VAL HG11 H 1 0.805 . . 2 . 752 . . 75 VAL HG11 . 18459 1 831 . 1 1 75 75 VAL HG12 H 1 0.805 . . 2 . 752 . . 75 VAL HG12 . 18459 1 832 . 1 1 75 75 VAL HG13 H 1 0.805 . . 2 . 752 . . 75 VAL HG13 . 18459 1 833 . 1 1 75 75 VAL HG21 H 1 0.771 0.003 . 2 . 753 . . 75 VAL HG21 . 18459 1 834 . 1 1 75 75 VAL HG22 H 1 0.771 0.003 . 2 . 753 . . 75 VAL HG22 . 18459 1 835 . 1 1 75 75 VAL HG23 H 1 0.771 0.003 . 2 . 753 . . 75 VAL HG23 . 18459 1 836 . 1 1 75 75 VAL CA C 13 58.096 0.008 . 1 . 745 . . 75 VAL CA . 18459 1 837 . 1 1 75 75 VAL CB C 13 34.578 0.011 . 1 . 746 . . 75 VAL CB . 18459 1 838 . 1 1 75 75 VAL CG1 C 13 20.661 . . 2 . 747 . . 75 VAL CG1 . 18459 1 839 . 1 1 75 75 VAL CG2 C 13 21.439 . . 2 . 748 . . 75 VAL CG2 . 18459 1 840 . 1 1 75 75 VAL N N 15 117.096 0.042 . 1 . 754 . . 75 VAL N . 18459 1 841 . 1 1 76 76 PRO HA H 1 4.179 0.014 . 1 . 760 . . 76 PRO HA . 18459 1 842 . 1 1 76 76 PRO HB2 H 1 1.558 0.009 . 2 . 761 . . 76 PRO HB2 . 18459 1 843 . 1 1 76 76 PRO HB3 H 1 2.416 . . 2 . 762 . . 76 PRO HB3 . 18459 1 844 . 1 1 76 76 PRO HG2 H 1 2.005 0.008 . 2 . 765 . . 76 PRO HG2 . 18459 1 845 . 1 1 76 76 PRO HG3 H 1 1.771 0.013 . 2 . 766 . . 76 PRO HG3 . 18459 1 846 . 1 1 76 76 PRO HD2 H 1 3.728 . . 2 . 763 . . 76 PRO HD2 . 18459 1 847 . 1 1 76 76 PRO HD3 H 1 3.704 . . 2 . 764 . . 76 PRO HD3 . 18459 1 848 . 1 1 76 76 PRO C C 13 180.215 . . 1 . 755 . . 76 PRO C . 18459 1 849 . 1 1 76 76 PRO CA C 13 63.342 0.069 . 1 . 756 . . 76 PRO CA . 18459 1 850 . 1 1 76 76 PRO CB C 13 33.582 0.013 . 1 . 757 . . 76 PRO CB . 18459 1 851 . 1 1 76 76 PRO CG C 13 28.227 0.079 . 1 . 759 . . 76 PRO CG . 18459 1 852 . 1 1 76 76 PRO CD C 13 50.914 . . 1 . 758 . . 76 PRO CD . 18459 1 853 . 1 1 77 77 TRP H H 1 8.589 0.004 . 1 . 775 . . 77 TRP H . 18459 1 854 . 1 1 77 77 TRP HA H 1 3.944 0.001 . 1 . 776 . . 77 TRP HA . 18459 1 855 . 1 1 77 77 TRP HB2 H 1 3.276 0.002 . 2 . 777 . . 77 TRP HB2 . 18459 1 856 . 1 1 77 77 TRP HB3 H 1 3.084 . . 2 . 778 . . 77 TRP HB3 . 18459 1 857 . 1 1 77 77 TRP HD1 H 1 7.582 . . 1 . 779 . . 77 TRP HD1 . 18459 1 858 . 1 1 77 77 TRP HE1 H 1 10.316 . . 1 . 780 . . 77 TRP HE1 . 18459 1 859 . 1 1 77 77 TRP HE3 H 1 7.148 . . 1 . 781 . . 77 TRP HE3 . 18459 1 860 . 1 1 77 77 TRP HZ2 H 1 7.365 . . 1 . 783 . . 77 TRP HZ2 . 18459 1 861 . 1 1 77 77 TRP HZ3 H 1 6.801 . . 1 . 784 . . 77 TRP HZ3 . 18459 1 862 . 1 1 77 77 TRP HH2 H 1 7.038 . . 1 . 782 . . 77 TRP HH2 . 18459 1 863 . 1 1 77 77 TRP C C 13 175.846 . . 1 . 767 . . 77 TRP C . 18459 1 864 . 1 1 77 77 TRP CA C 13 60.641 0.023 . 1 . 768 . . 77 TRP CA . 18459 1 865 . 1 1 77 77 TRP CB C 13 28.220 0.037 . 1 . 769 . . 77 TRP CB . 18459 1 866 . 1 1 77 77 TRP CD1 C 13 127.287 . . 1 . 770 . . 77 TRP CD1 . 18459 1 867 . 1 1 77 77 TRP CE3 C 13 120.147 . . 1 . 771 . . 77 TRP CE3 . 18459 1 868 . 1 1 77 77 TRP CZ2 C 13 114.988 . . 1 . 773 . . 77 TRP CZ2 . 18459 1 869 . 1 1 77 77 TRP CZ3 C 13 121.269 . . 1 . 774 . . 77 TRP CZ3 . 18459 1 870 . 1 1 77 77 TRP CH2 C 13 124.767 . . 1 . 772 . . 77 TRP CH2 . 18459 1 871 . 1 1 77 77 TRP N N 15 123.571 0.032 . 1 . 785 . . 77 TRP N . 18459 1 872 . 1 1 77 77 TRP NE1 N 15 129.412 . . 1 . 786 . . 77 TRP NE1 . 18459 1 873 . 1 1 78 78 ASP H H 1 8.595 0.004 . 1 . 790 . . 78 ASP H . 18459 1 874 . 1 1 78 78 ASP HA H 1 3.532 0.002 . 1 . 791 . . 78 ASP HA . 18459 1 875 . 1 1 78 78 ASP HB2 H 1 2.103 0.005 . 2 . 792 . . 78 ASP HB2 . 18459 1 876 . 1 1 78 78 ASP HB3 H 1 1.001 . . 2 . 793 . . 78 ASP HB3 . 18459 1 877 . 1 1 78 78 ASP C C 13 178.136 . . 1 . 787 . . 78 ASP C . 18459 1 878 . 1 1 78 78 ASP CA C 13 55.726 0.018 . 1 . 788 . . 78 ASP CA . 18459 1 879 . 1 1 78 78 ASP CB C 13 35.747 0.02 . 1 . 789 . . 78 ASP CB . 18459 1 880 . 1 1 78 78 ASP N N 15 118.545 0.053 . 1 . 794 . . 78 ASP N . 18459 1 881 . 1 1 79 79 GLN H H 1 6.832 0.005 . 1 . 799 . . 79 GLN H . 18459 1 882 . 1 1 79 79 GLN HA H 1 2.891 . . 1 . 800 . . 79 GLN HA . 18459 1 883 . 1 1 79 79 GLN HB2 H 1 1.844 . . 2 . 801 . . 79 GLN HB2 . 18459 1 884 . 1 1 79 79 GLN HB3 H 1 1.084 . . 2 . 802 . . 79 GLN HB3 . 18459 1 885 . 1 1 79 79 GLN HG2 H 1 1.791 . . 2 . 803 . . 79 GLN HG2 . 18459 1 886 . 1 1 79 79 GLN HG3 H 1 1.802 . . 2 . 804 . . 79 GLN HG3 . 18459 1 887 . 1 1 79 79 GLN C C 13 177.624 . . 1 . 795 . . 79 GLN C . 18459 1 888 . 1 1 79 79 GLN CA C 13 57.893 0.036 . 1 . 796 . . 79 GLN CA . 18459 1 889 . 1 1 79 79 GLN CB C 13 27.681 0.01 . 1 . 797 . . 79 GLN CB . 18459 1 890 . 1 1 79 79 GLN CG C 13 33.107 . . 1 . 798 . . 79 GLN CG . 18459 1 891 . 1 1 79 79 GLN N N 15 123.813 0.055 . 1 . 805 . . 79 GLN N . 18459 1 892 . 1 1 80 80 ALA H H 1 7.725 0.004 . 1 . 809 . . 80 ALA H . 18459 1 893 . 1 1 80 80 ALA HA H 1 3.726 0.002 . 1 . 810 . . 80 ALA HA . 18459 1 894 . 1 1 80 80 ALA HB1 H 1 1.294 0.003 . 1 . 811 . . 80 ALA HB1 . 18459 1 895 . 1 1 80 80 ALA HB2 H 1 1.294 0.003 . 1 . 811 . . 80 ALA HB2 . 18459 1 896 . 1 1 80 80 ALA HB3 H 1 1.294 0.003 . 1 . 811 . . 80 ALA HB3 . 18459 1 897 . 1 1 80 80 ALA C C 13 178.126 . . 1 . 806 . . 80 ALA C . 18459 1 898 . 1 1 80 80 ALA CA C 13 55.083 0.034 . 1 . 807 . . 80 ALA CA . 18459 1 899 . 1 1 80 80 ALA CB C 13 18.261 0.028 . 1 . 808 . . 80 ALA CB . 18459 1 900 . 1 1 80 80 ALA N N 15 121.756 0.019 . 1 . 812 . . 80 ALA N . 18459 1 901 . 1 1 81 81 LEU H H 1 8.183 0.003 . 1 . 819 . . 81 LEU H . 18459 1 902 . 1 1 81 81 LEU HA H 1 3.720 0.006 . 1 . 820 . . 81 LEU HA . 18459 1 903 . 1 1 81 81 LEU HB2 H 1 1.863 0.004 . 2 . 821 . . 81 LEU HB2 . 18459 1 904 . 1 1 81 81 LEU HB3 H 1 1.416 . . 2 . 822 . . 81 LEU HB3 . 18459 1 905 . 1 1 81 81 LEU HG H 1 1.573 . . 1 . 825 . . 81 LEU HG . 18459 1 906 . 1 1 81 81 LEU HD11 H 1 0.916 0.002 . 2 . 823 . . 81 LEU HD11 . 18459 1 907 . 1 1 81 81 LEU HD12 H 1 0.916 0.002 . 2 . 823 . . 81 LEU HD12 . 18459 1 908 . 1 1 81 81 LEU HD13 H 1 0.916 0.002 . 2 . 823 . . 81 LEU HD13 . 18459 1 909 . 1 1 81 81 LEU HD21 H 1 0.746 0.002 . 2 . 824 . . 81 LEU HD21 . 18459 1 910 . 1 1 81 81 LEU HD22 H 1 0.746 0.002 . 2 . 824 . . 81 LEU HD22 . 18459 1 911 . 1 1 81 81 LEU HD23 H 1 0.746 0.002 . 2 . 824 . . 81 LEU HD23 . 18459 1 912 . 1 1 81 81 LEU C C 13 177.740 . . 1 . 813 . . 81 LEU C . 18459 1 913 . 1 1 81 81 LEU CA C 13 57.930 0.02 . 1 . 814 . . 81 LEU CA . 18459 1 914 . 1 1 81 81 LEU CB C 13 41.594 0.028 . 1 . 815 . . 81 LEU CB . 18459 1 915 . 1 1 81 81 LEU CG C 13 27.014 0.001 . 1 . 818 . . 81 LEU CG . 18459 1 916 . 1 1 81 81 LEU CD1 C 13 26.020 0.014 . 2 . 816 . . 81 LEU CD1 . 18459 1 917 . 1 1 81 81 LEU CD2 C 13 23.463 . . 2 . 817 . . 81 LEU CD2 . 18459 1 918 . 1 1 81 81 LEU N N 15 116.346 0.03 . 1 . 826 . . 81 LEU N . 18459 1 919 . 1 1 82 82 ASP H H 1 7.292 0.005 . 1 . 830 . . 82 ASP H . 18459 1 920 . 1 1 82 82 ASP HA H 1 4.252 0.003 . 1 . 831 . . 82 ASP HA . 18459 1 921 . 1 1 82 82 ASP HB2 H 1 2.618 . . 2 . 832 . . 82 ASP HB2 . 18459 1 922 . 1 1 82 82 ASP HB3 H 1 2.513 0.001 . 2 . 833 . . 82 ASP HB3 . 18459 1 923 . 1 1 82 82 ASP C C 13 177.697 . . 1 . 827 . . 82 ASP C . 18459 1 924 . 1 1 82 82 ASP CA C 13 58.310 0.055 . 1 . 828 . . 82 ASP CA . 18459 1 925 . 1 1 82 82 ASP CB C 13 42.537 0.033 . 1 . 829 . . 82 ASP CB . 18459 1 926 . 1 1 82 82 ASP N N 15 118.788 0.043 . 1 . 834 . . 82 ASP N . 18459 1 927 . 1 1 83 83 LEU H H 1 7.924 0.005 . 1 . 841 . . 83 LEU H . 18459 1 928 . 1 1 83 83 LEU HA H 1 3.905 0.009 . 1 . 842 . . 83 LEU HA . 18459 1 929 . 1 1 83 83 LEU HB2 H 1 1.424 0.004 . 2 . 843 . . 83 LEU HB2 . 18459 1 930 . 1 1 83 83 LEU HB3 H 1 1.882 0.004 . 2 . 844 . . 83 LEU HB3 . 18459 1 931 . 1 1 83 83 LEU HG H 1 1.713 0.003 . 1 . 847 . . 83 LEU HG . 18459 1 932 . 1 1 83 83 LEU HD11 H 1 0.785 0.005 . 2 . 845 . . 83 LEU HD11 . 18459 1 933 . 1 1 83 83 LEU HD12 H 1 0.785 0.005 . 2 . 845 . . 83 LEU HD12 . 18459 1 934 . 1 1 83 83 LEU HD13 H 1 0.785 0.005 . 2 . 845 . . 83 LEU HD13 . 18459 1 935 . 1 1 83 83 LEU HD21 H 1 0.764 0.006 . 2 . 846 . . 83 LEU HD21 . 18459 1 936 . 1 1 83 83 LEU HD22 H 1 0.764 0.006 . 2 . 846 . . 83 LEU HD22 . 18459 1 937 . 1 1 83 83 LEU HD23 H 1 0.764 0.006 . 2 . 846 . . 83 LEU HD23 . 18459 1 938 . 1 1 83 83 LEU C C 13 180.517 . . 1 . 835 . . 83 LEU C . 18459 1 939 . 1 1 83 83 LEU CA C 13 58.442 0.05 . 1 . 836 . . 83 LEU CA . 18459 1 940 . 1 1 83 83 LEU CB C 13 41.722 0.046 . 1 . 837 . . 83 LEU CB . 18459 1 941 . 1 1 83 83 LEU CG C 13 26.769 0.003 . 1 . 840 . . 83 LEU CG . 18459 1 942 . 1 1 83 83 LEU CD1 C 13 23.465 0.006 . 2 . 838 . . 83 LEU CD1 . 18459 1 943 . 1 1 83 83 LEU CD2 C 13 25.643 0.046 . 2 . 839 . . 83 LEU CD2 . 18459 1 944 . 1 1 83 83 LEU N N 15 119.145 0.05 . 1 . 848 . . 83 LEU N . 18459 1 945 . 1 1 84 84 VAL H H 1 7.777 0.005 . 1 . 854 . . 84 VAL H . 18459 1 946 . 1 1 84 84 VAL HA H 1 3.288 0.005 . 1 . 855 . . 84 VAL HA . 18459 1 947 . 1 1 84 84 VAL HB H 1 2.033 0.003 . 1 . 856 . . 84 VAL HB . 18459 1 948 . 1 1 84 84 VAL HG11 H 1 0.837 0.001 . 2 . 857 . . 84 VAL HG11 . 18459 1 949 . 1 1 84 84 VAL HG12 H 1 0.837 0.001 . 2 . 857 . . 84 VAL HG12 . 18459 1 950 . 1 1 84 84 VAL HG13 H 1 0.837 0.001 . 2 . 857 . . 84 VAL HG13 . 18459 1 951 . 1 1 84 84 VAL HG21 H 1 0.614 0.004 . 2 . 858 . . 84 VAL HG21 . 18459 1 952 . 1 1 84 84 VAL HG22 H 1 0.614 0.004 . 2 . 858 . . 84 VAL HG22 . 18459 1 953 . 1 1 84 84 VAL HG23 H 1 0.614 0.004 . 2 . 858 . . 84 VAL HG23 . 18459 1 954 . 1 1 84 84 VAL C C 13 177.065 . . 1 . 849 . . 84 VAL C . 18459 1 955 . 1 1 84 84 VAL CA C 13 66.749 0.016 . 1 . 850 . . 84 VAL CA . 18459 1 956 . 1 1 84 84 VAL CB C 13 31.636 0.031 . 1 . 851 . . 84 VAL CB . 18459 1 957 . 1 1 84 84 VAL CG1 C 13 22.644 0.004 . 2 . 852 . . 84 VAL CG1 . 18459 1 958 . 1 1 84 84 VAL CG2 C 13 20.866 0.017 . 2 . 853 . . 84 VAL CG2 . 18459 1 959 . 1 1 84 84 VAL N N 15 120.239 0.055 . 1 . 859 . . 84 VAL N . 18459 1 960 . 1 1 85 85 MET H H 1 8.301 0.005 . 1 . 865 . . 85 MET H . 18459 1 961 . 1 1 85 85 MET HA H 1 3.721 0.005 . 1 . 866 . . 85 MET HA . 18459 1 962 . 1 1 85 85 MET HB2 H 1 2.037 0.004 . 2 . 867 . . 85 MET HB2 . 18459 1 963 . 1 1 85 85 MET HB3 H 1 2.263 . . 2 . 868 . . 85 MET HB3 . 18459 1 964 . 1 1 85 85 MET HG2 H 1 2.761 . . 2 . 870 . . 85 MET HG2 . 18459 1 965 . 1 1 85 85 MET HG3 H 1 2.763 0.003 . 2 . 871 . . 85 MET HG3 . 18459 1 966 . 1 1 85 85 MET HE1 H 1 1.921 . . 1 . 869 . . 85 MET HE1 . 18459 1 967 . 1 1 85 85 MET HE2 H 1 1.921 . . 1 . 869 . . 85 MET HE2 . 18459 1 968 . 1 1 85 85 MET HE3 H 1 1.921 . . 1 . 869 . . 85 MET HE3 . 18459 1 969 . 1 1 85 85 MET C C 13 179.374 . . 1 . 860 . . 85 MET C . 18459 1 970 . 1 1 85 85 MET CA C 13 60.111 0.034 . 1 . 861 . . 85 MET CA . 18459 1 971 . 1 1 85 85 MET CB C 13 32.564 0.031 . 1 . 862 . . 85 MET CB . 18459 1 972 . 1 1 85 85 MET CG C 13 31.086 0.011 . 1 . 864 . . 85 MET CG . 18459 1 973 . 1 1 85 85 MET CE C 13 16.435 . . 1 . 863 . . 85 MET CE . 18459 1 974 . 1 1 85 85 MET N N 15 116.302 0.04 . 1 . 872 . . 85 MET N . 18459 1 975 . 1 1 86 86 GLN H H 1 8.651 0.004 . 1 . 877 . . 86 GLN H . 18459 1 976 . 1 1 86 86 GLN HA H 1 4.125 0.009 . 1 . 878 . . 86 GLN HA . 18459 1 977 . 1 1 86 86 GLN HB2 H 1 2.008 0.001 . 2 . 879 . . 86 GLN HB2 . 18459 1 978 . 1 1 86 86 GLN HB3 H 1 2.121 . . 2 . 880 . . 86 GLN HB3 . 18459 1 979 . 1 1 86 86 GLN HG2 H 1 2.384 . . 2 . 883 . . 86 GLN HG2 . 18459 1 980 . 1 1 86 86 GLN HG3 H 1 2.535 . . 2 . 884 . . 86 GLN HG3 . 18459 1 981 . 1 1 86 86 GLN HE21 H 1 6.704 0.002 . 1 . 881 . . 86 GLN HE21 . 18459 1 982 . 1 1 86 86 GLN HE22 H 1 7.738 0.001 . 1 . 882 . . 86 GLN HE22 . 18459 1 983 . 1 1 86 86 GLN C C 13 179.381 . . 1 . 873 . . 86 GLN C . 18459 1 984 . 1 1 86 86 GLN CA C 13 58.623 0.047 . 1 . 874 . . 86 GLN CA . 18459 1 985 . 1 1 86 86 GLN CB C 13 28.610 0.046 . 1 . 875 . . 86 GLN CB . 18459 1 986 . 1 1 86 86 GLN CG C 13 33.897 0.039 . 1 . 876 . . 86 GLN CG . 18459 1 987 . 1 1 86 86 GLN N N 15 117.309 0.047 . 1 . 885 . . 86 GLN N . 18459 1 988 . 1 1 86 86 GLN NE2 N 15 113.604 . . 1 . 886 . . 86 GLN NE2 . 18459 1 989 . 1 1 87 87 ALA H H 1 7.793 0.005 . 1 . 890 . . 87 ALA H . 18459 1 990 . 1 1 87 87 ALA HA H 1 4.127 . . 1 . 891 . . 87 ALA HA . 18459 1 991 . 1 1 87 87 ALA HB1 H 1 1.474 0.008 . 1 . 892 . . 87 ALA HB1 . 18459 1 992 . 1 1 87 87 ALA HB2 H 1 1.474 0.008 . 1 . 892 . . 87 ALA HB2 . 18459 1 993 . 1 1 87 87 ALA HB3 H 1 1.474 0.008 . 1 . 892 . . 87 ALA HB3 . 18459 1 994 . 1 1 87 87 ALA C C 13 179.417 . . 1 . 887 . . 87 ALA C . 18459 1 995 . 1 1 87 87 ALA CA C 13 54.521 0.02 . 1 . 888 . . 87 ALA CA . 18459 1 996 . 1 1 87 87 ALA CB C 13 18.717 0.001 . 1 . 889 . . 87 ALA CB . 18459 1 997 . 1 1 87 87 ALA N N 15 120.254 0.03 . 1 . 893 . . 87 ALA N . 18459 1 998 . 1 1 88 88 ARG H H 1 7.244 0.004 . 1 . 899 . . 88 ARG H . 18459 1 999 . 1 1 88 88 ARG HA H 1 4.598 0.007 . 1 . 900 . . 88 ARG HA . 18459 1 1000 . 1 1 88 88 ARG HB2 H 1 1.478 0.004 . 2 . 901 . . 88 ARG HB2 . 18459 1 1001 . 1 1 88 88 ARG HB3 H 1 2.116 0.004 . 2 . 902 . . 88 ARG HB3 . 18459 1 1002 . 1 1 88 88 ARG HG2 H 1 1.609 0.007 . 2 . 906 . . 88 ARG HG2 . 18459 1 1003 . 1 1 88 88 ARG HG3 H 1 1.613 . . 2 . 907 . . 88 ARG HG3 . 18459 1 1004 . 1 1 88 88 ARG HD2 H 1 3.214 0.008 . 2 . 903 . . 88 ARG HD2 . 18459 1 1005 . 1 1 88 88 ARG HD3 H 1 3.159 0.008 . 2 . 904 . . 88 ARG HD3 . 18459 1 1006 . 1 1 88 88 ARG HE H 1 7.418 . . 1 . 905 . . 88 ARG HE . 18459 1 1007 . 1 1 88 88 ARG C C 13 174.508 . . 1 . 894 . . 88 ARG C . 18459 1 1008 . 1 1 88 88 ARG CA C 13 51.954 0.007 . 1 . 895 . . 88 ARG CA . 18459 1 1009 . 1 1 88 88 ARG CB C 13 29.352 0.059 . 1 . 896 . . 88 ARG CB . 18459 1 1010 . 1 1 88 88 ARG CG C 13 26.042 0.078 . 1 . 898 . . 88 ARG CG . 18459 1 1011 . 1 1 88 88 ARG CD C 13 41.244 0.008 . 1 . 897 . . 88 ARG CD . 18459 1 1012 . 1 1 88 88 ARG N N 15 112.548 0.042 . 1 . 908 . . 88 ARG N . 18459 1 1013 . 1 1 88 88 ARG NE N 15 83.292 . . 1 . 909 . . 88 ARG NE . 18459 1 1014 . 1 1 89 89 ASN H H 1 7.683 0.002 . 1 . 913 . . 89 ASN H . 18459 1 1015 . 1 1 89 89 ASN HA H 1 4.419 0.006 . 1 . 914 . . 89 ASN HA . 18459 1 1016 . 1 1 89 89 ASN HB2 H 1 3.126 0.002 . 2 . 915 . . 89 ASN HB2 . 18459 1 1017 . 1 1 89 89 ASN HB3 H 1 2.665 0.003 . 2 . 916 . . 89 ASN HB3 . 18459 1 1018 . 1 1 89 89 ASN HD21 H 1 7.502 0.004 . 1 . 917 . . 89 ASN HD21 . 18459 1 1019 . 1 1 89 89 ASN HD22 H 1 6.862 . . 1 . 918 . . 89 ASN HD22 . 18459 1 1020 . 1 1 89 89 ASN C C 13 174.218 . . 1 . 910 . . 89 ASN C . 18459 1 1021 . 1 1 89 89 ASN CA C 13 54.373 0.065 . 1 . 911 . . 89 ASN CA . 18459 1 1022 . 1 1 89 89 ASN CB C 13 37.004 0.055 . 1 . 912 . . 89 ASN CB . 18459 1 1023 . 1 1 89 89 ASN N N 15 118.305 0.043 . 1 . 919 . . 89 ASN N . 18459 1 1024 . 1 1 89 89 ASN ND2 N 15 112.227 . . 1 . 920 . . 89 ASN ND2 . 18459 1 1025 . 1 1 90 90 LEU H H 1 8.574 0.003 . 1 . 927 . . 90 LEU H . 18459 1 1026 . 1 1 90 90 LEU HA H 1 4.668 0.005 . 1 . 928 . . 90 LEU HA . 18459 1 1027 . 1 1 90 90 LEU HB2 H 1 1.244 0.002 . 2 . 929 . . 90 LEU HB2 . 18459 1 1028 . 1 1 90 90 LEU HB3 H 1 1.498 . . 2 . 930 . . 90 LEU HB3 . 18459 1 1029 . 1 1 90 90 LEU HG H 1 1.496 . . 1 . 933 . . 90 LEU HG . 18459 1 1030 . 1 1 90 90 LEU HD11 H 1 0.570 . . 2 . 931 . . 90 LEU HD11 . 18459 1 1031 . 1 1 90 90 LEU HD12 H 1 0.570 . . 2 . 931 . . 90 LEU HD12 . 18459 1 1032 . 1 1 90 90 LEU HD13 H 1 0.570 . . 2 . 931 . . 90 LEU HD13 . 18459 1 1033 . 1 1 90 90 LEU HD21 H 1 0.577 0.008 . 2 . 932 . . 90 LEU HD21 . 18459 1 1034 . 1 1 90 90 LEU HD22 H 1 0.577 0.008 . 2 . 932 . . 90 LEU HD22 . 18459 1 1035 . 1 1 90 90 LEU HD23 H 1 0.577 0.008 . 2 . 932 . . 90 LEU HD23 . 18459 1 1036 . 1 1 90 90 LEU C C 13 174.466 . . 1 . 921 . . 90 LEU C . 18459 1 1037 . 1 1 90 90 LEU CA C 13 53.087 0.069 . 1 . 922 . . 90 LEU CA . 18459 1 1038 . 1 1 90 90 LEU CB C 13 44.062 0.046 . 1 . 923 . . 90 LEU CB . 18459 1 1039 . 1 1 90 90 LEU CG C 13 26.548 0.001 . 1 . 926 . . 90 LEU CG . 18459 1 1040 . 1 1 90 90 LEU CD1 C 13 25.069 . . 2 . 924 . . 90 LEU CD1 . 18459 1 1041 . 1 1 90 90 LEU CD2 C 13 22.921 . . 2 . 925 . . 90 LEU CD2 . 18459 1 1042 . 1 1 90 90 LEU N N 15 116.982 0.059 . 1 . 934 . . 90 LEU N . 18459 1 1043 . 1 1 91 91 ASP H H 1 8.785 0.002 . 1 . 938 . . 91 ASP H . 18459 1 1044 . 1 1 91 91 ASP HA H 1 4.871 0.009 . 1 . 939 . . 91 ASP HA . 18459 1 1045 . 1 1 91 91 ASP HB2 H 1 2.358 0.01 . 2 . 940 . . 91 ASP HB2 . 18459 1 1046 . 1 1 91 91 ASP HB3 H 1 2.476 0.002 . 2 . 941 . . 91 ASP HB3 . 18459 1 1047 . 1 1 91 91 ASP C C 13 173.149 . . 1 . 935 . . 91 ASP C . 18459 1 1048 . 1 1 91 91 ASP CA C 13 52.328 0.046 . 1 . 936 . . 91 ASP CA . 18459 1 1049 . 1 1 91 91 ASP CB C 13 45.243 0.045 . 1 . 937 . . 91 ASP CB . 18459 1 1050 . 1 1 91 91 ASP N N 15 119.396 0.048 . 1 . 942 . . 91 ASP N . 18459 1 1051 . 1 1 92 92 MET H H 1 8.694 0.003 . 1 . 948 . . 92 MET H . 18459 1 1052 . 1 1 92 92 MET HA H 1 5.657 0.01 . 1 . 949 . . 92 MET HA . 18459 1 1053 . 1 1 92 92 MET HB2 H 1 1.833 0.005 . 2 . 950 . . 92 MET HB2 . 18459 1 1054 . 1 1 92 92 MET HB3 H 1 1.692 . . 2 . 951 . . 92 MET HB3 . 18459 1 1055 . 1 1 92 92 MET HG2 H 1 2.231 0.011 . 1 . 953 . . 92 MET HG2 . 18459 1 1056 . 1 1 92 92 MET HG3 H 1 2.231 0.012 . 1 . 954 . . 92 MET HG3 . 18459 1 1057 . 1 1 92 92 MET HE1 H 1 1.869 . . 1 . 952 . . 92 MET HE1 . 18459 1 1058 . 1 1 92 92 MET HE2 H 1 1.869 . . 1 . 952 . . 92 MET HE2 . 18459 1 1059 . 1 1 92 92 MET HE3 H 1 1.869 . . 1 . 952 . . 92 MET HE3 . 18459 1 1060 . 1 1 92 92 MET C C 13 175.689 . . 1 . 943 . . 92 MET C . 18459 1 1061 . 1 1 92 92 MET CA C 13 53.312 0.054 . 1 . 944 . . 92 MET CA . 18459 1 1062 . 1 1 92 92 MET CB C 13 37.278 0.014 . 1 . 945 . . 92 MET CB . 18459 1 1063 . 1 1 92 92 MET CG C 13 31.129 0.049 . 1 . 947 . . 92 MET CG . 18459 1 1064 . 1 1 92 92 MET CE C 13 17.551 . . 1 . 946 . . 92 MET CE . 18459 1 1065 . 1 1 92 92 MET N N 15 115.970 0.043 . 1 . 955 . . 92 MET N . 18459 1 1066 . 1 1 93 93 ARG H H 1 8.699 0.003 . 1 . 961 . . 93 ARG H . 18459 1 1067 . 1 1 93 93 ARG HA H 1 4.541 0.01 . 1 . 962 . . 93 ARG HA . 18459 1 1068 . 1 1 93 93 ARG HB2 H 1 1.685 . . 2 . 963 . . 93 ARG HB2 . 18459 1 1069 . 1 1 93 93 ARG HB3 H 1 1.693 0.015 . 2 . 964 . . 93 ARG HB3 . 18459 1 1070 . 1 1 93 93 ARG HG2 H 1 1.580 0.006 . 2 . 968 . . 93 ARG HG2 . 18459 1 1071 . 1 1 93 93 ARG HG3 H 1 1.445 0.004 . 2 . 969 . . 93 ARG HG3 . 18459 1 1072 . 1 1 93 93 ARG HD2 H 1 3.078 0.003 . 2 . 965 . . 93 ARG HD2 . 18459 1 1073 . 1 1 93 93 ARG HD3 H 1 3.281 0.005 . 2 . 966 . . 93 ARG HD3 . 18459 1 1074 . 1 1 93 93 ARG HE H 1 7.755 . . 1 . 967 . . 93 ARG HE . 18459 1 1075 . 1 1 93 93 ARG C C 13 174.694 . . 1 . 956 . . 93 ARG C . 18459 1 1076 . 1 1 93 93 ARG CA C 13 54.426 0.066 . 1 . 957 . . 93 ARG CA . 18459 1 1077 . 1 1 93 93 ARG CB C 13 33.369 0.051 . 1 . 958 . . 93 ARG CB . 18459 1 1078 . 1 1 93 93 ARG CG C 13 27.354 0.04 . 1 . 960 . . 93 ARG CG . 18459 1 1079 . 1 1 93 93 ARG CD C 13 42.741 0.053 . 1 . 959 . . 93 ARG CD . 18459 1 1080 . 1 1 93 93 ARG N N 15 121.547 0.032 . 1 . 970 . . 93 ARG N . 18459 1 1081 . 1 1 93 93 ARG NE N 15 85.453 . . 1 . 971 . . 93 ARG NE . 18459 1 1082 . 1 1 94 94 GLN H H 1 9.006 0.003 . 1 . 976 . . 94 GLN H . 18459 1 1083 . 1 1 94 94 GLN HA H 1 4.971 0.004 . 1 . 977 . . 94 GLN HA . 18459 1 1084 . 1 1 94 94 GLN HB2 H 1 1.859 0.01 . 2 . 978 . . 94 GLN HB2 . 18459 1 1085 . 1 1 94 94 GLN HB3 H 1 1.968 0.004 . 2 . 979 . . 94 GLN HB3 . 18459 1 1086 . 1 1 94 94 GLN HG2 H 1 2.188 0.013 . 2 . 980 . . 94 GLN HG2 . 18459 1 1087 . 1 1 94 94 GLN HG3 H 1 2.166 0.009 . 2 . 981 . . 94 GLN HG3 . 18459 1 1088 . 1 1 94 94 GLN C C 13 175.136 . . 1 . 972 . . 94 GLN C . 18459 1 1089 . 1 1 94 94 GLN CA C 13 55.128 0.027 . 1 . 973 . . 94 GLN CA . 18459 1 1090 . 1 1 94 94 GLN CB C 13 29.819 0.039 . 1 . 974 . . 94 GLN CB . 18459 1 1091 . 1 1 94 94 GLN CG C 13 33.524 . . 1 . 975 . . 94 GLN CG . 18459 1 1092 . 1 1 94 94 GLN N N 15 125.852 0.052 . 1 . 982 . . 94 GLN N . 18459 1 1093 . 1 1 95 95 GLN H H 1 8.837 0.004 . 1 . 987 . . 95 GLN H . 18459 1 1094 . 1 1 95 95 GLN HA H 1 4.472 0.011 . 1 . 988 . . 95 GLN HA . 18459 1 1095 . 1 1 95 95 GLN HB2 H 1 1.821 0.014 . 2 . 989 . . 95 GLN HB2 . 18459 1 1096 . 1 1 95 95 GLN HB3 H 1 1.969 . . 2 . 990 . . 95 GLN HB3 . 18459 1 1097 . 1 1 95 95 GLN HG2 H 1 2.171 . . 2 . 993 . . 95 GLN HG2 . 18459 1 1098 . 1 1 95 95 GLN HG3 H 1 2.163 . . 2 . 994 . . 95 GLN HG3 . 18459 1 1099 . 1 1 95 95 GLN HE21 H 1 6.698 0.005 . 1 . 991 . . 95 GLN HE21 . 18459 1 1100 . 1 1 95 95 GLN HE22 H 1 7.394 . . 1 . 992 . . 95 GLN HE22 . 18459 1 1101 . 1 1 95 95 GLN C C 13 175.729 . . 1 . 983 . . 95 GLN C . 18459 1 1102 . 1 1 95 95 GLN CA C 13 54.797 0.044 . 1 . 984 . . 95 GLN CA . 18459 1 1103 . 1 1 95 95 GLN CB C 13 30.194 0.075 . 1 . 985 . . 95 GLN CB . 18459 1 1104 . 1 1 95 95 GLN CG C 13 33.537 . . 1 . 986 . . 95 GLN CG . 18459 1 1105 . 1 1 95 95 GLN N N 15 127.684 0.052 . 1 . 995 . . 95 GLN N . 18459 1 1106 . 1 1 95 95 GLN NE2 N 15 111.594 . . 1 . 996 . . 95 GLN NE2 . 18459 1 1107 . 1 1 96 96 GLY H H 1 9.047 0.005 . 1 . 999 . . 96 GLY H . 18459 1 1108 . 1 1 96 96 GLY HA2 H 1 3.921 0.002 . 2 . 1000 . . 96 GLY HA2 . 18459 1 1109 . 1 1 96 96 GLY HA3 H 1 3.603 . . 2 . 1001 . . 96 GLY HA3 . 18459 1 1110 . 1 1 96 96 GLY C C 13 174.406 . . 1 . 997 . . 96 GLY C . 18459 1 1111 . 1 1 96 96 GLY CA C 13 47.234 0.011 . 1 . 998 . . 96 GLY CA . 18459 1 1112 . 1 1 96 96 GLY N N 15 117.220 0.052 . 1 . 1002 . . 96 GLY N . 18459 1 1113 . 1 1 97 97 ASN H H 1 8.732 0.006 . 1 . 1006 . . 97 ASN H . 18459 1 1114 . 1 1 97 97 ASN HA H 1 4.721 0.007 . 1 . 1007 . . 97 ASN HA . 18459 1 1115 . 1 1 97 97 ASN HB2 H 1 2.759 . . 2 . 1008 . . 97 ASN HB2 . 18459 1 1116 . 1 1 97 97 ASN HB3 H 1 2.849 0.005 . 2 . 1009 . . 97 ASN HB3 . 18459 1 1117 . 1 1 97 97 ASN HD21 H 1 6.800 0.004 . 1 . 1010 . . 97 ASN HD21 . 18459 1 1118 . 1 1 97 97 ASN HD22 H 1 7.466 0.001 . 1 . 1011 . . 97 ASN HD22 . 18459 1 1119 . 1 1 97 97 ASN C C 13 173.918 . . 1 . 1003 . . 97 ASN C . 18459 1 1120 . 1 1 97 97 ASN CA C 13 52.990 0.035 . 1 . 1004 . . 97 ASN CA . 18459 1 1121 . 1 1 97 97 ASN CB C 13 38.468 0.012 . 1 . 1005 . . 97 ASN CB . 18459 1 1122 . 1 1 97 97 ASN N N 15 124.894 0.047 . 1 . 1012 . . 97 ASN N . 18459 1 1123 . 1 1 97 97 ASN ND2 N 15 111.650 . . 1 . 1013 . . 97 ASN ND2 . 18459 1 1124 . 1 1 98 98 ILE H H 1 7.868 0.002 . 1 . 1020 . . 98 ILE H . 18459 1 1125 . 1 1 98 98 ILE HA H 1 4.472 0.006 . 1 . 1021 . . 98 ILE HA . 18459 1 1126 . 1 1 98 98 ILE HB H 1 1.947 0.003 . 1 . 1022 . . 98 ILE HB . 18459 1 1127 . 1 1 98 98 ILE HG12 H 1 1.034 0.003 . 2 . 1024 . . 98 ILE HG12 . 18459 1 1128 . 1 1 98 98 ILE HG13 H 1 1.546 0.002 . 2 . 1025 . . 98 ILE HG13 . 18459 1 1129 . 1 1 98 98 ILE HG21 H 1 0.722 0.001 . 1 . 1026 . . 98 ILE HG21 . 18459 1 1130 . 1 1 98 98 ILE HG22 H 1 0.722 0.001 . 1 . 1026 . . 98 ILE HG22 . 18459 1 1131 . 1 1 98 98 ILE HG23 H 1 0.722 0.001 . 1 . 1026 . . 98 ILE HG23 . 18459 1 1132 . 1 1 98 98 ILE HD11 H 1 0.780 0.001 . 1 . 1023 . . 98 ILE HD11 . 18459 1 1133 . 1 1 98 98 ILE HD12 H 1 0.780 0.001 . 1 . 1023 . . 98 ILE HD12 . 18459 1 1134 . 1 1 98 98 ILE HD13 H 1 0.780 0.001 . 1 . 1023 . . 98 ILE HD13 . 18459 1 1135 . 1 1 98 98 ILE C C 13 174.870 . . 1 . 1014 . . 98 ILE C . 18459 1 1136 . 1 1 98 98 ILE CA C 13 60.684 0.025 . 1 . 1015 . . 98 ILE CA . 18459 1 1137 . 1 1 98 98 ILE CB C 13 39.724 0.042 . 1 . 1016 . . 98 ILE CB . 18459 1 1138 . 1 1 98 98 ILE CG1 C 13 27.813 0.023 . 1 . 1018 . . 98 ILE CG1 . 18459 1 1139 . 1 1 98 98 ILE CG2 C 13 17.638 0.014 . 1 . 1019 . . 98 ILE CG2 . 18459 1 1140 . 1 1 98 98 ILE CD1 C 13 13.071 0.013 . 1 . 1017 . . 98 ILE CD1 . 18459 1 1141 . 1 1 98 98 ILE N N 15 120.200 0.051 . 1 . 1027 . . 98 ILE N . 18459 1 1142 . 1 1 99 99 VAL H H 1 8.528 0.005 . 1 . 1033 . . 99 VAL H . 18459 1 1143 . 1 1 99 99 VAL HA H 1 4.215 0.01 . 1 . 1034 . . 99 VAL HA . 18459 1 1144 . 1 1 99 99 VAL HB H 1 1.850 0.004 . 1 . 1035 . . 99 VAL HB . 18459 1 1145 . 1 1 99 99 VAL HG11 H 1 0.755 0.002 . 2 . 1036 . . 99 VAL HG11 . 18459 1 1146 . 1 1 99 99 VAL HG12 H 1 0.755 0.002 . 2 . 1036 . . 99 VAL HG12 . 18459 1 1147 . 1 1 99 99 VAL HG13 H 1 0.755 0.002 . 2 . 1036 . . 99 VAL HG13 . 18459 1 1148 . 1 1 99 99 VAL HG21 H 1 0.765 . . 2 . 1037 . . 99 VAL HG21 . 18459 1 1149 . 1 1 99 99 VAL HG22 H 1 0.765 . . 2 . 1037 . . 99 VAL HG22 . 18459 1 1150 . 1 1 99 99 VAL HG23 H 1 0.765 . . 2 . 1037 . . 99 VAL HG23 . 18459 1 1151 . 1 1 99 99 VAL C C 13 173.952 . . 1 . 1028 . . 99 VAL C . 18459 1 1152 . 1 1 99 99 VAL CA C 13 61.418 0.023 . 1 . 1029 . . 99 VAL CA . 18459 1 1153 . 1 1 99 99 VAL CB C 13 33.042 0.053 . 1 . 1030 . . 99 VAL CB . 18459 1 1154 . 1 1 99 99 VAL CG1 C 13 21.996 0.025 . 2 . 1031 . . 99 VAL CG1 . 18459 1 1155 . 1 1 99 99 VAL CG2 C 13 20.946 0.001 . 2 . 1032 . . 99 VAL CG2 . 18459 1 1156 . 1 1 99 99 VAL N N 15 127.027 0.054 . 1 . 1038 . . 99 VAL N . 18459 1 1157 . 1 1 100 100 ASN H H 1 8.691 0.003 . 1 . 1042 . . 100 ASN H . 18459 1 1158 . 1 1 100 100 ASN HA H 1 5.311 0.011 . 1 . 1043 . . 100 ASN HA . 18459 1 1159 . 1 1 100 100 ASN HB2 H 1 2.523 0.008 . 1 . 1044 . . 100 ASN HB2 . 18459 1 1160 . 1 1 100 100 ASN HB3 H 1 2.523 . . 1 . 1045 . . 100 ASN HB3 . 18459 1 1161 . 1 1 100 100 ASN HD21 H 1 6.680 . . 1 . 1046 . . 100 ASN HD21 . 18459 1 1162 . 1 1 100 100 ASN HD22 H 1 6.993 . . 1 . 1047 . . 100 ASN HD22 . 18459 1 1163 . 1 1 100 100 ASN C C 13 174.531 . . 1 . 1039 . . 100 ASN C . 18459 1 1164 . 1 1 100 100 ASN CA C 13 52.835 0.067 . 1 . 1040 . . 100 ASN CA . 18459 1 1165 . 1 1 100 100 ASN CB C 13 40.964 0.035 . 1 . 1041 . . 100 ASN CB . 18459 1 1166 . 1 1 100 100 ASN N N 15 126.193 0.044 . 1 . 1048 . . 100 ASN N . 18459 1 1167 . 1 1 100 100 ASN ND2 N 15 110.643 . . 1 . 1049 . . 100 ASN ND2 . 18459 1 1168 . 1 1 101 101 ILE H H 1 8.526 0.003 . 1 . 1056 . . 101 ILE H . 18459 1 1169 . 1 1 101 101 ILE HA H 1 5.010 0.009 . 1 . 1057 . . 101 ILE HA . 18459 1 1170 . 1 1 101 101 ILE HB H 1 1.497 0.004 . 1 . 1058 . . 101 ILE HB . 18459 1 1171 . 1 1 101 101 ILE HG12 H 1 1.311 0.006 . 2 . 1060 . . 101 ILE HG12 . 18459 1 1172 . 1 1 101 101 ILE HG13 H 1 1.151 0.003 . 2 . 1061 . . 101 ILE HG13 . 18459 1 1173 . 1 1 101 101 ILE HG21 H 1 0.736 0.004 . 1 . 1062 . . 101 ILE HG21 . 18459 1 1174 . 1 1 101 101 ILE HG22 H 1 0.736 0.004 . 1 . 1062 . . 101 ILE HG22 . 18459 1 1175 . 1 1 101 101 ILE HG23 H 1 0.736 0.004 . 1 . 1062 . . 101 ILE HG23 . 18459 1 1176 . 1 1 101 101 ILE HD11 H 1 0.688 0.002 . 1 . 1059 . . 101 ILE HD11 . 18459 1 1177 . 1 1 101 101 ILE HD12 H 1 0.688 0.002 . 1 . 1059 . . 101 ILE HD12 . 18459 1 1178 . 1 1 101 101 ILE HD13 H 1 0.688 0.002 . 1 . 1059 . . 101 ILE HD13 . 18459 1 1179 . 1 1 101 101 ILE C C 13 173.738 . . 1 . 1050 . . 101 ILE C . 18459 1 1180 . 1 1 101 101 ILE CA C 13 59.163 0.016 . 1 . 1051 . . 101 ILE CA . 18459 1 1181 . 1 1 101 101 ILE CB C 13 39.712 0.062 . 1 . 1052 . . 101 ILE CB . 18459 1 1182 . 1 1 101 101 ILE CG1 C 13 27.796 0.038 . 1 . 1054 . . 101 ILE CG1 . 18459 1 1183 . 1 1 101 101 ILE CG2 C 13 18.746 0.015 . 1 . 1055 . . 101 ILE CG2 . 18459 1 1184 . 1 1 101 101 ILE CD1 C 13 13.557 0.023 . 1 . 1053 . . 101 ILE CD1 . 18459 1 1185 . 1 1 101 101 ILE N N 15 123.276 0.043 . 1 . 1063 . . 101 ILE N . 18459 1 1186 . 1 1 102 102 ALA H H 1 8.402 0.004 . 1 . 1067 . . 102 ALA H . 18459 1 1187 . 1 1 102 102 ALA HA H 1 4.609 0.002 . 1 . 1068 . . 102 ALA HA . 18459 1 1188 . 1 1 102 102 ALA HB1 H 1 1.250 0.003 . 1 . 1069 . . 102 ALA HB1 . 18459 1 1189 . 1 1 102 102 ALA HB2 H 1 1.250 0.003 . 1 . 1069 . . 102 ALA HB2 . 18459 1 1190 . 1 1 102 102 ALA HB3 H 1 1.250 0.003 . 1 . 1069 . . 102 ALA HB3 . 18459 1 1191 . 1 1 102 102 ALA C C 13 172.840 . . 1 . 1064 . . 102 ALA C . 18459 1 1192 . 1 1 102 102 ALA CA C 13 50.103 0.015 . 1 . 1065 . . 102 ALA CA . 18459 1 1193 . 1 1 102 102 ALA CB C 13 20.561 0.071 . 1 . 1066 . . 102 ALA CB . 18459 1 1194 . 1 1 102 102 ALA N N 15 128.675 0.047 . 1 . 1070 . . 102 ALA N . 18459 1 1195 . 1 1 103 103 PRO HA H 1 4.451 0.003 . 1 . 1075 . . 103 PRO HA . 18459 1 1196 . 1 1 103 103 PRO HB2 H 1 2.517 0.011 . 2 . 1076 . . 103 PRO HB2 . 18459 1 1197 . 1 1 103 103 PRO HB3 H 1 1.748 0.004 . 2 . 1077 . . 103 PRO HB3 . 18459 1 1198 . 1 1 103 103 PRO HG2 H 1 1.648 0.009 . 2 . 1080 . . 103 PRO HG2 . 18459 1 1199 . 1 1 103 103 PRO HG3 H 1 2.000 0.015 . 2 . 1081 . . 103 PRO HG3 . 18459 1 1200 . 1 1 103 103 PRO HD2 H 1 3.292 0.005 . 2 . 1078 . . 103 PRO HD2 . 18459 1 1201 . 1 1 103 103 PRO HD3 H 1 3.397 0.009 . 2 . 1079 . . 103 PRO HD3 . 18459 1 1202 . 1 1 103 103 PRO CA C 13 63.710 0.063 . 1 . 1071 . . 103 PRO CA . 18459 1 1203 . 1 1 103 103 PRO CB C 13 32.278 0.024 . 1 . 1072 . . 103 PRO CB . 18459 1 1204 . 1 1 103 103 PRO CG C 13 28.413 0.073 . 1 . 1074 . . 103 PRO CG . 18459 1 1205 . 1 1 103 103 PRO CD C 13 51.094 0.035 . 1 . 1073 . . 103 PRO CD . 18459 1 1206 . 1 1 104 104 ARG H H 1 8.642 0.005 . 1 . 1086 . . 104 ARG H . 18459 1 1207 . 1 1 104 104 ARG HA H 1 3.760 0.008 . 1 . 1087 . . 104 ARG HA . 18459 1 1208 . 1 1 104 104 ARG HB2 H 1 1.548 0.002 . 2 . 1088 . . 104 ARG HB2 . 18459 1 1209 . 1 1 104 104 ARG HB3 H 1 1.616 0.006 . 2 . 1089 . . 104 ARG HB3 . 18459 1 1210 . 1 1 104 104 ARG HG2 H 1 1.479 . . 2 . 1093 . . 104 ARG HG2 . 18459 1 1211 . 1 1 104 104 ARG HG3 H 1 1.470 0.005 . 2 . 1094 . . 104 ARG HG3 . 18459 1 1212 . 1 1 104 104 ARG HD2 H 1 3.074 0.017 . 2 . 1090 . . 104 ARG HD2 . 18459 1 1213 . 1 1 104 104 ARG HD3 H 1 3.129 0.009 . 2 . 1091 . . 104 ARG HD3 . 18459 1 1214 . 1 1 104 104 ARG HE H 1 7.218 0.001 . 1 . 1092 . . 104 ARG HE . 18459 1 1215 . 1 1 104 104 ARG CA C 13 59.839 0.067 . 1 . 1082 . . 104 ARG CA . 18459 1 1216 . 1 1 104 104 ARG CB C 13 30.317 0.031 . 1 . 1083 . . 104 ARG CB . 18459 1 1217 . 1 1 104 104 ARG CG C 13 27.529 0.079 . 1 . 1085 . . 104 ARG CG . 18459 1 1218 . 1 1 104 104 ARG CD C 13 43.170 0.055 . 1 . 1084 . . 104 ARG CD . 18459 1 1219 . 1 1 104 104 ARG N N 15 124.538 0.039 . 1 . 1095 . . 104 ARG N . 18459 1 1220 . 1 1 104 104 ARG NE N 15 83.948 0.053 . 1 . 1096 . . 104 ARG NE . 18459 1 1221 . 1 1 105 105 ASP H H 1 8.788 0.002 . 1 . 1099 . . 105 ASP H . 18459 1 1222 . 1 1 105 105 ASP HA H 1 4.324 0.008 . 1 . 1100 . . 105 ASP HA . 18459 1 1223 . 1 1 105 105 ASP HB2 H 1 2.620 . . 2 . 1101 . . 105 ASP HB2 . 18459 1 1224 . 1 1 105 105 ASP HB3 H 1 2.532 . . 2 . 1102 . . 105 ASP HB3 . 18459 1 1225 . 1 1 105 105 ASP CA C 13 56.328 0.064 . 1 . 1097 . . 105 ASP CA . 18459 1 1226 . 1 1 105 105 ASP CB C 13 39.878 0.007 . 1 . 1098 . . 105 ASP CB . 18459 1 1227 . 1 1 105 105 ASP N N 15 117.005 0.042 . 1 . 1103 . . 105 ASP N . 18459 1 1228 . 1 1 106 106 GLU H H 1 7.466 0.002 . 1 . 1107 . . 106 GLU H . 18459 1 1229 . 1 1 106 106 GLU HA H 1 4.052 0.012 . 1 . 1108 . . 106 GLU HA . 18459 1 1230 . 1 1 106 106 GLU HB2 H 1 2.004 . . 2 . 1109 . . 106 GLU HB2 . 18459 1 1231 . 1 1 106 106 GLU HB3 H 1 1.982 0.006 . 2 . 1110 . . 106 GLU HB3 . 18459 1 1232 . 1 1 106 106 GLU HG2 H 1 2.117 . . 1 . 1111 . . 106 GLU HG2 . 18459 1 1233 . 1 1 106 106 GLU CA C 13 58.137 0.05 . 1 . 1104 . . 106 GLU CA . 18459 1 1234 . 1 1 106 106 GLU CB C 13 30.140 0.05 . 1 . 1105 . . 106 GLU CB . 18459 1 1235 . 1 1 106 106 GLU CG C 13 36.634 0.001 . 1 . 1106 . . 106 GLU CG . 18459 1 1236 . 1 1 106 106 GLU N N 15 121.016 0.041 . 1 . 1112 . . 106 GLU N . 18459 1 1237 . 1 1 107 107 LEU H H 1 7.547 0.005 . 1 . 1118 . . 107 LEU H . 18459 1 1238 . 1 1 107 107 LEU HA H 1 4.030 0.008 . 1 . 1119 . . 107 LEU HA . 18459 1 1239 . 1 1 107 107 LEU HB2 H 1 1.329 0.014 . 2 . 1120 . . 107 LEU HB2 . 18459 1 1240 . 1 1 107 107 LEU HB3 H 1 1.633 0.005 . 2 . 1121 . . 107 LEU HB3 . 18459 1 1241 . 1 1 107 107 LEU HG H 1 1.459 . . 1 . 1124 . . 107 LEU HG . 18459 1 1242 . 1 1 107 107 LEU HD11 H 1 0.668 0.012 . 2 . 1122 . . 107 LEU HD11 . 18459 1 1243 . 1 1 107 107 LEU HD12 H 1 0.668 0.012 . 2 . 1122 . . 107 LEU HD12 . 18459 1 1244 . 1 1 107 107 LEU HD13 H 1 0.668 0.012 . 2 . 1122 . . 107 LEU HD13 . 18459 1 1245 . 1 1 107 107 LEU HD21 H 1 0.623 0.002 . 2 . 1123 . . 107 LEU HD21 . 18459 1 1246 . 1 1 107 107 LEU HD22 H 1 0.623 0.002 . 2 . 1123 . . 107 LEU HD22 . 18459 1 1247 . 1 1 107 107 LEU HD23 H 1 0.623 0.002 . 2 . 1123 . . 107 LEU HD23 . 18459 1 1248 . 1 1 107 107 LEU CA C 13 56.627 0.039 . 1 . 1113 . . 107 LEU CA . 18459 1 1249 . 1 1 107 107 LEU CB C 13 41.289 0.053 . 1 . 1114 . . 107 LEU CB . 18459 1 1250 . 1 1 107 107 LEU CG C 13 26.892 . . 1 . 1117 . . 107 LEU CG . 18459 1 1251 . 1 1 107 107 LEU CD1 C 13 25.632 0.046 . 2 . 1115 . . 107 LEU CD1 . 18459 1 1252 . 1 1 107 107 LEU CD2 C 13 22.572 0.036 . 2 . 1116 . . 107 LEU CD2 . 18459 1 1253 . 1 1 107 107 LEU N N 15 119.615 0.043 . 1 . 1125 . . 107 LEU N . 18459 1 1254 . 1 1 108 108 LEU H H 1 7.840 0.002 . 1 . 1132 . . 108 LEU H . 18459 1 1255 . 1 1 108 108 LEU HA H 1 4.096 0.011 . 1 . 1133 . . 108 LEU HA . 18459 1 1256 . 1 1 108 108 LEU HB2 H 1 1.487 0.005 . 2 . 1134 . . 108 LEU HB2 . 18459 1 1257 . 1 1 108 108 LEU HB3 H 1 1.602 0.013 . 2 . 1135 . . 108 LEU HB3 . 18459 1 1258 . 1 1 108 108 LEU HG H 1 1.581 0.001 . 1 . 1138 . . 108 LEU HG . 18459 1 1259 . 1 1 108 108 LEU HD11 H 1 0.837 0.012 . 2 . 1136 . . 108 LEU HD11 . 18459 1 1260 . 1 1 108 108 LEU HD12 H 1 0.837 0.012 . 2 . 1136 . . 108 LEU HD12 . 18459 1 1261 . 1 1 108 108 LEU HD13 H 1 0.837 0.012 . 2 . 1136 . . 108 LEU HD13 . 18459 1 1262 . 1 1 108 108 LEU HD21 H 1 0.780 0.001 . 2 . 1137 . . 108 LEU HD21 . 18459 1 1263 . 1 1 108 108 LEU HD22 H 1 0.780 0.001 . 2 . 1137 . . 108 LEU HD22 . 18459 1 1264 . 1 1 108 108 LEU HD23 H 1 0.780 0.001 . 2 . 1137 . . 108 LEU HD23 . 18459 1 1265 . 1 1 108 108 LEU C C 13 178.430 . . 1 . 1126 . . 108 LEU C . 18459 1 1266 . 1 1 108 108 LEU CA C 13 56.703 0.039 . 1 . 1127 . . 108 LEU CA . 18459 1 1267 . 1 1 108 108 LEU CB C 13 42.000 0.068 . 1 . 1128 . . 108 LEU CB . 18459 1 1268 . 1 1 108 108 LEU CG C 13 26.765 0.002 . 1 . 1131 . . 108 LEU CG . 18459 1 1269 . 1 1 108 108 LEU CD1 C 13 24.902 0.065 . 2 . 1129 . . 108 LEU CD1 . 18459 1 1270 . 1 1 108 108 LEU CD2 C 13 26.198 . . 2 . 1130 . . 108 LEU CD2 . 18459 1 1271 . 1 1 108 108 LEU N N 15 120.127 0.056 . 1 . 1139 . . 108 LEU N . 18459 1 1272 . 1 1 109 109 ALA H H 1 7.617 0.004 . 1 . 1143 . . 109 ALA H . 18459 1 1273 . 1 1 109 109 ALA HA H 1 4.079 0.006 . 1 . 1144 . . 109 ALA HA . 18459 1 1274 . 1 1 109 109 ALA HB1 H 1 1.373 0.001 . 1 . 1145 . . 109 ALA HB1 . 18459 1 1275 . 1 1 109 109 ALA HB2 H 1 1.373 0.001 . 1 . 1145 . . 109 ALA HB2 . 18459 1 1276 . 1 1 109 109 ALA HB3 H 1 1.373 0.001 . 1 . 1145 . . 109 ALA HB3 . 18459 1 1277 . 1 1 109 109 ALA C C 13 179.315 . . 1 . 1140 . . 109 ALA C . 18459 1 1278 . 1 1 109 109 ALA CA C 13 53.864 0.024 . 1 . 1141 . . 109 ALA CA . 18459 1 1279 . 1 1 109 109 ALA CB C 13 18.270 0.039 . 1 . 1142 . . 109 ALA CB . 18459 1 1280 . 1 1 109 109 ALA N N 15 121.693 0.024 . 1 . 1146 . . 109 ALA N . 18459 1 1281 . 1 1 110 110 LYS H H 1 7.802 0.003 . 1 . 1153 . . 110 LYS H . 18459 1 1282 . 1 1 110 110 LYS HA H 1 4.069 0.002 . 1 . 1154 . . 110 LYS HA . 18459 1 1283 . 1 1 110 110 LYS HB2 H 1 1.786 0.002 . 2 . 1155 . . 110 LYS HB2 . 18459 1 1284 . 1 1 110 110 LYS HB3 H 1 1.808 0.004 . 2 . 1156 . . 110 LYS HB3 . 18459 1 1285 . 1 1 110 110 LYS HG2 H 1 1.333 0.014 . 2 . 1161 . . 110 LYS HG2 . 18459 1 1286 . 1 1 110 110 LYS HG3 H 1 1.413 0.004 . 2 . 1162 . . 110 LYS HG3 . 18459 1 1287 . 1 1 110 110 LYS HD2 H 1 1.625 . . 2 . 1157 . . 110 LYS HD2 . 18459 1 1288 . 1 1 110 110 LYS HD3 H 1 1.613 . . 2 . 1158 . . 110 LYS HD3 . 18459 1 1289 . 1 1 110 110 LYS HE2 H 1 2.910 . . 2 . 1159 . . 110 LYS HE2 . 18459 1 1290 . 1 1 110 110 LYS HE3 H 1 2.926 0.011 . 2 . 1160 . . 110 LYS HE3 . 18459 1 1291 . 1 1 110 110 LYS C C 13 176.869 . . 1 . 1147 . . 110 LYS C . 18459 1 1292 . 1 1 110 110 LYS CA C 13 57.794 0.04 . 1 . 1148 . . 110 LYS CA . 18459 1 1293 . 1 1 110 110 LYS CB C 13 32.555 0.035 . 1 . 1149 . . 110 LYS CB . 18459 1 1294 . 1 1 110 110 LYS CG C 13 24.913 . . 1 . 1152 . . 110 LYS CG . 18459 1 1295 . 1 1 110 110 LYS CD C 13 29.117 0.001 . 1 . 1150 . . 110 LYS CD . 18459 1 1296 . 1 1 110 110 LYS CE C 13 41.963 . . 1 . 1151 . . 110 LYS CE . 18459 1 1297 . 1 1 110 110 LYS N N 15 119.496 0.035 . 1 . 1163 . . 110 LYS N . 18459 1 1298 . 1 1 111 111 ASP H H 1 8.011 0.004 . 1 . 1167 . . 111 ASP H . 18459 1 1299 . 1 1 111 111 ASP HA H 1 4.440 . . 1 . 1168 . . 111 ASP HA . 18459 1 1300 . 1 1 111 111 ASP HB2 H 1 2.642 . . 2 . 1169 . . 111 ASP HB2 . 18459 1 1301 . 1 1 111 111 ASP HB3 H 1 2.738 . . 2 . 1170 . . 111 ASP HB3 . 18459 1 1302 . 1 1 111 111 ASP C C 13 176.194 . . 1 . 1164 . . 111 ASP C . 18459 1 1303 . 1 1 111 111 ASP CA C 13 55.691 0.039 . 1 . 1165 . . 111 ASP CA . 18459 1 1304 . 1 1 111 111 ASP CB C 13 40.795 0.023 . 1 . 1166 . . 111 ASP CB . 18459 1 1305 . 1 1 111 111 ASP N N 15 120.429 0.049 . 1 . 1171 . . 111 ASP N . 18459 1 1306 . 1 1 112 112 LYS H H 1 7.867 0.008 . 1 . 1178 . . 112 LYS H . 18459 1 1307 . 1 1 112 112 LYS HA H 1 4.090 0.013 . 1 . 1179 . . 112 LYS HA . 18459 1 1308 . 1 1 112 112 LYS HB2 H 1 1.737 0.011 . 2 . 1180 . . 112 LYS HB2 . 18459 1 1309 . 1 1 112 112 LYS HB3 H 1 1.767 . . 2 . 1181 . . 112 LYS HB3 . 18459 1 1310 . 1 1 112 112 LYS HG2 H 1 1.444 0.013 . 2 . 1186 . . 112 LYS HG2 . 18459 1 1311 . 1 1 112 112 LYS HG3 H 1 1.342 0.002 . 2 . 1187 . . 112 LYS HG3 . 18459 1 1312 . 1 1 112 112 LYS HD2 H 1 1.594 . . 2 . 1182 . . 112 LYS HD2 . 18459 1 1313 . 1 1 112 112 LYS HD3 H 1 1.574 0.002 . 2 . 1183 . . 112 LYS HD3 . 18459 1 1314 . 1 1 112 112 LYS HE2 H 1 2.904 . . 2 . 1184 . . 112 LYS HE2 . 18459 1 1315 . 1 1 112 112 LYS HE3 H 1 2.888 . . 2 . 1185 . . 112 LYS HE3 . 18459 1 1316 . 1 1 112 112 LYS C C 13 175.411 . . 1 . 1172 . . 112 LYS C . 18459 1 1317 . 1 1 112 112 LYS CA C 13 57.607 0.076 . 1 . 1173 . . 112 LYS CA . 18459 1 1318 . 1 1 112 112 LYS CB C 13 32.499 0.046 . 1 . 1174 . . 112 LYS CB . 18459 1 1319 . 1 1 112 112 LYS CG C 13 24.970 0.043 . 1 . 1177 . . 112 LYS CG . 18459 1 1320 . 1 1 112 112 LYS CD C 13 29.163 0.002 . 1 . 1175 . . 112 LYS CD . 18459 1 1321 . 1 1 112 112 LYS CE C 13 42.012 . . 1 . 1176 . . 112 LYS CE . 18459 1 1322 . 1 1 112 112 LYS N N 15 119.992 0.056 . 1 . 1188 . . 112 LYS N . 18459 1 1323 . 1 1 113 113 ALA H H 1 7.912 0.001 . 1 . 1192 . . 113 ALA H . 18459 1 1324 . 1 1 113 113 ALA HA H 1 4.118 . . 1 . 1193 . . 113 ALA HA . 18459 1 1325 . 1 1 113 113 ALA HB1 H 1 1.277 0.002 . 1 . 1194 . . 113 ALA HB1 . 18459 1 1326 . 1 1 113 113 ALA HB2 H 1 1.277 0.002 . 1 . 1194 . . 113 ALA HB2 . 18459 1 1327 . 1 1 113 113 ALA HB3 H 1 1.277 0.002 . 1 . 1194 . . 113 ALA HB3 . 18459 1 1328 . 1 1 113 113 ALA C C 13 174.519 . . 1 . 1189 . . 113 ALA C . 18459 1 1329 . 1 1 113 113 ALA CA C 13 53.438 0.037 . 1 . 1190 . . 113 ALA CA . 18459 1 1330 . 1 1 113 113 ALA CB C 13 18.546 0.021 . 1 . 1191 . . 113 ALA CB . 18459 1 1331 . 1 1 113 113 ALA N N 15 122.842 0.023 . 1 . 1195 . . 113 ALA N . 18459 1 1332 . 1 1 114 114 PHE H H 1 7.924 0.002 . 1 . 1204 . . 114 PHE H . 18459 1 1333 . 1 1 114 114 PHE HA H 1 4.439 0.01 . 1 . 1205 . . 114 PHE HA . 18459 1 1334 . 1 1 114 114 PHE HB2 H 1 3.113 0.002 . 2 . 1206 . . 114 PHE HB2 . 18459 1 1335 . 1 1 114 114 PHE HB3 H 1 3.036 0.003 . 2 . 1207 . . 114 PHE HB3 . 18459 1 1336 . 1 1 114 114 PHE HD1 H 1 6.974 . . 3 . 1208 . . 114 PHE HD1 . 18459 1 1337 . 1 1 114 114 PHE HD2 H 1 6.972 0.001 . 3 . 1209 . . 114 PHE HD2 . 18459 1 1338 . 1 1 114 114 PHE HE1 H 1 7.144 0.01 . 3 . 1210 . . 114 PHE HE1 . 18459 1 1339 . 1 1 114 114 PHE HE2 H 1 7.144 0.01 . 3 . 1211 . . 114 PHE HE2 . 18459 1 1340 . 1 1 114 114 PHE HZ H 1 7.077 . . 1 . 1212 . . 114 PHE HZ . 18459 1 1341 . 1 1 114 114 PHE C C 13 175.216 . . 1 . 1196 . . 114 PHE C . 18459 1 1342 . 1 1 114 114 PHE CA C 13 58.504 0.066 . 1 . 1197 . . 114 PHE CA . 18459 1 1343 . 1 1 114 114 PHE CB C 13 39.092 0.057 . 1 . 1198 . . 114 PHE CB . 18459 1 1344 . 1 1 114 114 PHE CD1 C 13 131.700 . . 3 . 1199 . . 114 PHE CD1 . 18459 1 1345 . 1 1 114 114 PHE CD2 C 13 131.700 . . 3 . 1200 . . 114 PHE CD2 . 18459 1 1346 . 1 1 114 114 PHE CE1 C 13 131.324 . . 3 . 1201 . . 114 PHE CE1 . 18459 1 1347 . 1 1 114 114 PHE CE2 C 13 131.324 . . 3 . 1202 . . 114 PHE CE2 . 18459 1 1348 . 1 1 114 114 PHE CZ C 13 129.373 . . 1 . 1203 . . 114 PHE CZ . 18459 1 1349 . 1 1 114 114 PHE N N 15 118.673 0.029 . 1 . 1213 . . 114 PHE N . 18459 1 1350 . 1 1 115 115 LEU H H 1 7.847 0.003 . 1 . 1219 . . 115 LEU H . 18459 1 1351 . 1 1 115 115 LEU HA H 1 4.142 0.014 . 1 . 1220 . . 115 LEU HA . 18459 1 1352 . 1 1 115 115 LEU HB2 H 1 1.603 0.003 . 2 . 1221 . . 115 LEU HB2 . 18459 1 1353 . 1 1 115 115 LEU HB3 H 1 1.476 0.003 . 2 . 1222 . . 115 LEU HB3 . 18459 1 1354 . 1 1 115 115 LEU HG H 1 1.370 0.009 . 1 . 1225 . . 115 LEU HG . 18459 1 1355 . 1 1 115 115 LEU HD11 H 1 0.766 0.001 . 2 . 1223 . . 115 LEU HD11 . 18459 1 1356 . 1 1 115 115 LEU HD12 H 1 0.766 0.001 . 2 . 1223 . . 115 LEU HD12 . 18459 1 1357 . 1 1 115 115 LEU HD13 H 1 0.766 0.001 . 2 . 1223 . . 115 LEU HD13 . 18459 1 1358 . 1 1 115 115 LEU HD21 H 1 0.831 . . 2 . 1224 . . 115 LEU HD21 . 18459 1 1359 . 1 1 115 115 LEU HD22 H 1 0.831 . . 2 . 1224 . . 115 LEU HD22 . 18459 1 1360 . 1 1 115 115 LEU HD23 H 1 0.831 . . 2 . 1224 . . 115 LEU HD23 . 18459 1 1361 . 1 1 115 115 LEU CA C 13 55.656 0.015 . 1 . 1214 . . 115 LEU CA . 18459 1 1362 . 1 1 115 115 LEU CB C 13 42.129 0.063 . 1 . 1215 . . 115 LEU CB . 18459 1 1363 . 1 1 115 115 LEU CG C 13 26.743 0.011 . 1 . 1218 . . 115 LEU CG . 18459 1 1364 . 1 1 115 115 LEU CD1 C 13 24.849 0.001 . 2 . 1216 . . 115 LEU CD1 . 18459 1 1365 . 1 1 115 115 LEU CD2 C 13 24.956 . . 2 . 1217 . . 115 LEU CD2 . 18459 1 1366 . 1 1 115 115 LEU N N 15 122.063 0.048 . 1 . 1226 . . 115 LEU N . 18459 1 1367 . 1 1 116 116 GLN H H 1 8.051 0.003 . 1 . 1230 . . 116 GLN H . 18459 1 1368 . 1 1 116 116 GLN HA H 1 4.122 0.009 . 1 . 1231 . . 116 GLN HA . 18459 1 1369 . 1 1 116 116 GLN HB2 H 1 1.951 0.01 . 2 . 1232 . . 116 GLN HB2 . 18459 1 1370 . 1 1 116 116 GLN HB3 H 1 2.017 0.004 . 2 . 1233 . . 116 GLN HB3 . 18459 1 1371 . 1 1 116 116 GLN HG2 H 1 2.289 . . 2 . 1236 . . 116 GLN HG2 . 18459 1 1372 . 1 1 116 116 GLN HG3 H 1 2.290 0.004 . 2 . 1237 . . 116 GLN HG3 . 18459 1 1373 . 1 1 116 116 GLN HE21 H 1 6.766 . . 1 . 1234 . . 116 GLN HE21 . 18459 1 1374 . 1 1 116 116 GLN HE22 H 1 7.422 . . 1 . 1235 . . 116 GLN HE22 . 18459 1 1375 . 1 1 116 116 GLN CA C 13 56.121 0.063 . 1 . 1227 . . 116 GLN CA . 18459 1 1376 . 1 1 116 116 GLN CB C 13 29.141 0.06 . 1 . 1228 . . 116 GLN CB . 18459 1 1377 . 1 1 116 116 GLN CG C 13 33.695 0.029 . 1 . 1229 . . 116 GLN CG . 18459 1 1378 . 1 1 116 116 GLN N N 15 120.296 0.022 . 1 . 1238 . . 116 GLN N . 18459 1 1379 . 1 1 116 116 GLN NE2 N 15 112.202 . . 1 . 1239 . . 116 GLN NE2 . 18459 1 1380 . 1 1 117 117 ALA H H 1 8.048 0.003 . 1 . 1242 . . 117 ALA H . 18459 1 1381 . 1 1 117 117 ALA HA H 1 4.186 . . 1 . 1243 . . 117 ALA HA . 18459 1 1382 . 1 1 117 117 ALA HB1 H 1 1.324 0.001 . 1 . 1244 . . 117 ALA HB1 . 18459 1 1383 . 1 1 117 117 ALA HB2 H 1 1.324 0.001 . 1 . 1244 . . 117 ALA HB2 . 18459 1 1384 . 1 1 117 117 ALA HB3 H 1 1.324 0.001 . 1 . 1244 . . 117 ALA HB3 . 18459 1 1385 . 1 1 117 117 ALA CA C 13 52.947 0.008 . 1 . 1240 . . 117 ALA CA . 18459 1 1386 . 1 1 117 117 ALA CB C 13 18.947 0.075 . 1 . 1241 . . 117 ALA CB . 18459 1 1387 . 1 1 117 117 ALA N N 15 124.213 0.016 . 1 . 1245 . . 117 ALA N . 18459 1 1388 . 1 1 118 118 GLU H H 1 8.162 0.003 . 1 . 1250 . . 118 GLU H . 18459 1 1389 . 1 1 118 118 GLU HA H 1 4.103 0.015 . 1 . 1251 . . 118 GLU HA . 18459 1 1390 . 1 1 118 118 GLU HB2 H 1 1.958 0.003 . 2 . 1252 . . 118 GLU HB2 . 18459 1 1391 . 1 1 118 118 GLU HB3 H 1 1.863 0.003 . 2 . 1253 . . 118 GLU HB3 . 18459 1 1392 . 1 1 118 118 GLU HG2 H 1 2.187 . . 2 . 1254 . . 118 GLU HG2 . 18459 1 1393 . 1 1 118 118 GLU HG3 H 1 2.165 . . 2 . 1255 . . 118 GLU HG3 . 18459 1 1394 . 1 1 118 118 GLU C C 13 176.340 . . 1 . 1246 . . 118 GLU C . 18459 1 1395 . 1 1 118 118 GLU CA C 13 57.091 . . 1 . 1247 . . 118 GLU CA . 18459 1 1396 . 1 1 118 118 GLU CB C 13 29.966 0.001 . 1 . 1248 . . 118 GLU CB . 18459 1 1397 . 1 1 118 118 GLU CG C 13 33.780 . . 1 . 1249 . . 118 GLU CG . 18459 1 1398 . 1 1 118 118 GLU N N 15 119.460 0.03 . 1 . 1256 . . 118 GLU N . 18459 1 1399 . 1 1 119 119 LYS H H 1 8.045 0.003 . 1 . 1262 . . 119 LYS H . 18459 1 1400 . 1 1 119 119 LYS HA H 1 4.168 0.01 . 1 . 1263 . . 119 LYS HA . 18459 1 1401 . 1 1 119 119 LYS HB2 H 1 1.678 0.002 . 2 . 1264 . . 119 LYS HB2 . 18459 1 1402 . 1 1 119 119 LYS HB3 H 1 1.718 0.013 . 2 . 1265 . . 119 LYS HB3 . 18459 1 1403 . 1 1 119 119 LYS HG2 H 1 1.414 0.002 . 2 . 1270 . . 119 LYS HG2 . 18459 1 1404 . 1 1 119 119 LYS HG3 H 1 1.359 . . 2 . 1271 . . 119 LYS HG3 . 18459 1 1405 . 1 1 119 119 LYS HD2 H 1 1.738 . . 2 . 1266 . . 119 LYS HD2 . 18459 1 1406 . 1 1 119 119 LYS HD3 H 1 1.772 . . 2 . 1267 . . 119 LYS HD3 . 18459 1 1407 . 1 1 119 119 LYS HE2 H 1 2.906 . . 2 . 1268 . . 119 LYS HE2 . 18459 1 1408 . 1 1 119 119 LYS HE3 H 1 2.883 . . 2 . 1269 . . 119 LYS HE3 . 18459 1 1409 . 1 1 119 119 LYS CA C 13 56.707 0.05 . 1 . 1257 . . 119 LYS CA . 18459 1 1410 . 1 1 119 119 LYS CB C 13 32.983 0.027 . 1 . 1258 . . 119 LYS CB . 18459 1 1411 . 1 1 119 119 LYS CG C 13 24.783 0.048 . 1 . 1261 . . 119 LYS CG . 18459 1 1412 . 1 1 119 119 LYS CD C 13 29.045 . . 1 . 1259 . . 119 LYS CD . 18459 1 1413 . 1 1 119 119 LYS CE C 13 41.927 . . 1 . 1260 . . 119 LYS CE . 18459 1 1414 . 1 1 119 119 LYS N N 15 121.254 0.027 . 1 . 1272 . . 119 LYS N . 18459 1 1415 . 1 1 120 120 ASP H H 1 8.263 0.002 . 1 . 1275 . . 120 ASP H . 18459 1 1416 . 1 1 120 120 ASP HA H 1 4.493 0.003 . 1 . 1276 . . 120 ASP HA . 18459 1 1417 . 1 1 120 120 ASP HB2 H 1 2.639 0.002 . 2 . 1277 . . 120 ASP HB2 . 18459 1 1418 . 1 1 120 120 ASP HB3 H 1 2.529 0.008 . 2 . 1278 . . 120 ASP HB3 . 18459 1 1419 . 1 1 120 120 ASP CA C 13 54.732 0.012 . 1 . 1273 . . 120 ASP CA . 18459 1 1420 . 1 1 120 120 ASP CB C 13 41.027 0.006 . 1 . 1274 . . 120 ASP CB . 18459 1 1421 . 1 1 120 120 ASP N N 15 121.164 0.014 . 1 . 1279 . . 120 ASP N . 18459 1 1422 . 1 1 121 121 ILE H H 1 7.858 0.002 . 1 . 1286 . . 121 ILE H . 18459 1 1423 . 1 1 121 121 ILE HA H 1 4.042 0.016 . 1 . 1287 . . 121 ILE HA . 18459 1 1424 . 1 1 121 121 ILE HB H 1 1.812 0.003 . 1 . 1288 . . 121 ILE HB . 18459 1 1425 . 1 1 121 121 ILE HG12 H 1 1.379 0.011 . 2 . 1290 . . 121 ILE HG12 . 18459 1 1426 . 1 1 121 121 ILE HG13 H 1 1.100 0.008 . 2 . 1291 . . 121 ILE HG13 . 18459 1 1427 . 1 1 121 121 ILE HG21 H 1 0.836 0.005 . 1 . 1292 . . 121 ILE HG21 . 18459 1 1428 . 1 1 121 121 ILE HG22 H 1 0.836 0.005 . 1 . 1292 . . 121 ILE HG22 . 18459 1 1429 . 1 1 121 121 ILE HG23 H 1 0.836 0.005 . 1 . 1292 . . 121 ILE HG23 . 18459 1 1430 . 1 1 121 121 ILE HD11 H 1 0.786 0.002 . 1 . 1289 . . 121 ILE HD11 . 18459 1 1431 . 1 1 121 121 ILE HD12 H 1 0.786 0.002 . 1 . 1289 . . 121 ILE HD12 . 18459 1 1432 . 1 1 121 121 ILE HD13 H 1 0.786 0.002 . 1 . 1289 . . 121 ILE HD13 . 18459 1 1433 . 1 1 121 121 ILE C C 13 176.320 . . 1 . 1280 . . 121 ILE C . 18459 1 1434 . 1 1 121 121 ILE CA C 13 61.496 0.089 . 1 . 1281 . . 121 ILE CA . 18459 1 1435 . 1 1 121 121 ILE CB C 13 38.454 0.024 . 1 . 1282 . . 121 ILE CB . 18459 1 1436 . 1 1 121 121 ILE CG1 C 13 27.068 0.075 . 1 . 1284 . . 121 ILE CG1 . 18459 1 1437 . 1 1 121 121 ILE CG2 C 13 17.540 0.015 . 1 . 1285 . . 121 ILE CG2 . 18459 1 1438 . 1 1 121 121 ILE CD1 C 13 12.961 0.001 . 1 . 1283 . . 121 ILE CD1 . 18459 1 1439 . 1 1 121 121 ILE N N 15 120.541 0.024 . 1 . 1293 . . 121 ILE N . 18459 1 1440 . 1 1 122 122 ALA H H 1 8.163 0.002 . 1 . 1296 . . 122 ALA H . 18459 1 1441 . 1 1 122 122 ALA HA H 1 4.170 . . 1 . 1297 . . 122 ALA HA . 18459 1 1442 . 1 1 122 122 ALA HB1 H 1 1.301 . . 1 . 1298 . . 122 ALA HB1 . 18459 1 1443 . 1 1 122 122 ALA HB2 H 1 1.301 . . 1 . 1298 . . 122 ALA HB2 . 18459 1 1444 . 1 1 122 122 ALA HB3 H 1 1.301 . . 1 . 1298 . . 122 ALA HB3 . 18459 1 1445 . 1 1 122 122 ALA CA C 13 52.896 0.008 . 1 . 1294 . . 122 ALA CA . 18459 1 1446 . 1 1 122 122 ALA CB C 13 19.013 0.074 . 1 . 1295 . . 122 ALA CB . 18459 1 1447 . 1 1 122 122 ALA N N 15 126.768 0.034 . 1 . 1299 . . 122 ALA N . 18459 1 1448 . 1 1 123 123 ASP H H 1 8.105 0.002 . 1 . 1303 . . 123 ASP H . 18459 1 1449 . 1 1 123 123 ASP HA H 1 4.504 0.005 . 1 . 1304 . . 123 ASP HA . 18459 1 1450 . 1 1 123 123 ASP HB2 H 1 2.668 0.001 . 2 . 1305 . . 123 ASP HB2 . 18459 1 1451 . 1 1 123 123 ASP HB3 H 1 2.534 0.001 . 2 . 1306 . . 123 ASP HB3 . 18459 1 1452 . 1 1 123 123 ASP C C 13 176.464 . . 1 . 1300 . . 123 ASP C . 18459 1 1453 . 1 1 123 123 ASP CA C 13 54.292 0.055 . 1 . 1301 . . 123 ASP CA . 18459 1 1454 . 1 1 123 123 ASP CB C 13 40.972 0.005 . 1 . 1302 . . 123 ASP CB . 18459 1 1455 . 1 1 123 123 ASP N N 15 119.101 0.021 . 1 . 1307 . . 123 ASP N . 18459 1 1456 . 1 1 124 124 LEU H H 1 8.074 0.002 . 1 . 1313 . . 124 LEU H . 18459 1 1457 . 1 1 124 124 LEU HA H 1 4.176 . . 1 . 1314 . . 124 LEU HA . 18459 1 1458 . 1 1 124 124 LEU HB2 H 1 1.620 0.002 . 2 . 1315 . . 124 LEU HB2 . 18459 1 1459 . 1 1 124 124 LEU HB3 H 1 1.539 0.002 . 2 . 1316 . . 124 LEU HB3 . 18459 1 1460 . 1 1 124 124 LEU HD11 H 1 0.838 . . 2 . 1317 . . 124 LEU HD11 . 18459 1 1461 . 1 1 124 124 LEU HD12 H 1 0.838 . . 2 . 1317 . . 124 LEU HD12 . 18459 1 1462 . 1 1 124 124 LEU HD13 H 1 0.838 . . 2 . 1317 . . 124 LEU HD13 . 18459 1 1463 . 1 1 124 124 LEU HD21 H 1 0.791 . . 2 . 1318 . . 124 LEU HD21 . 18459 1 1464 . 1 1 124 124 LEU HD22 H 1 0.791 . . 2 . 1318 . . 124 LEU HD22 . 18459 1 1465 . 1 1 124 124 LEU HD23 H 1 0.791 . . 2 . 1318 . . 124 LEU HD23 . 18459 1 1466 . 1 1 124 124 LEU C C 13 178.143 . . 1 . 1308 . . 124 LEU C . 18459 1 1467 . 1 1 124 124 LEU CA C 13 55.747 0.01 . 1 . 1309 . . 124 LEU CA . 18459 1 1468 . 1 1 124 124 LEU CB C 13 41.930 0.017 . 1 . 1310 . . 124 LEU CB . 18459 1 1469 . 1 1 124 124 LEU CD1 C 13 23.604 . . 2 . 1311 . . 124 LEU CD1 . 18459 1 1470 . 1 1 124 124 LEU CD2 C 13 23.469 . . 2 . 1312 . . 124 LEU CD2 . 18459 1 1471 . 1 1 124 124 LEU N N 15 122.865 0.03 . 1 . 1319 . . 124 LEU N . 18459 1 1472 . 1 1 125 125 GLY H H 1 8.264 0.002 . 1 . 1322 . . 125 GLY H . 18459 1 1473 . 1 1 125 125 GLY HA2 H 1 3.816 0.001 . 2 . 1323 . . 125 GLY HA2 . 18459 1 1474 . 1 1 125 125 GLY HA3 H 1 3.448 . . 2 . 1324 . . 125 GLY HA3 . 18459 1 1475 . 1 1 125 125 GLY C C 13 173.766 . . 1 . 1320 . . 125 GLY C . 18459 1 1476 . 1 1 125 125 GLY CA C 13 45.339 0.004 . 1 . 1321 . . 125 GLY CA . 18459 1 1477 . 1 1 125 125 GLY N N 15 108.504 0.027 . 1 . 1325 . . 125 GLY N . 18459 1 1478 . 1 1 126 126 ALA H H 1 7.819 0.003 . 1 . 1329 . . 126 ALA H . 18459 1 1479 . 1 1 126 126 ALA HA H 1 4.206 0.001 . 1 . 1330 . . 126 ALA HA . 18459 1 1480 . 1 1 126 126 ALA HB1 H 1 1.244 . . 1 . 1331 . . 126 ALA HB1 . 18459 1 1481 . 1 1 126 126 ALA HB2 H 1 1.244 . . 1 . 1331 . . 126 ALA HB2 . 18459 1 1482 . 1 1 126 126 ALA HB3 H 1 1.244 . . 1 . 1331 . . 126 ALA HB3 . 18459 1 1483 . 1 1 126 126 ALA C C 13 177.328 . . 1 . 1326 . . 126 ALA C . 18459 1 1484 . 1 1 126 126 ALA CA C 13 52.238 0.006 . 1 . 1327 . . 126 ALA CA . 18459 1 1485 . 1 1 126 126 ALA CB C 13 19.250 0.001 . 1 . 1328 . . 126 ALA CB . 18459 1 1486 . 1 1 126 126 ALA N N 15 123.126 0.034 . 1 . 1332 . . 126 ALA N . 18459 1 1487 . 1 1 127 127 LEU H H 1 7.976 0.003 . 1 . 1339 . . 127 LEU H . 18459 1 1488 . 1 1 127 127 LEU HA H 1 4.182 0.003 . 1 . 1340 . . 127 LEU HA . 18459 1 1489 . 1 1 127 127 LEU HB2 H 1 1.428 . . 2 . 1341 . . 127 LEU HB2 . 18459 1 1490 . 1 1 127 127 LEU HB3 H 1 1.370 0.003 . 2 . 1342 . . 127 LEU HB3 . 18459 1 1491 . 1 1 127 127 LEU HG H 1 1.474 0.002 . 1 . 1345 . . 127 LEU HG . 18459 1 1492 . 1 1 127 127 LEU HD11 H 1 0.815 0.002 . 2 . 1343 . . 127 LEU HD11 . 18459 1 1493 . 1 1 127 127 LEU HD12 H 1 0.815 0.002 . 2 . 1343 . . 127 LEU HD12 . 18459 1 1494 . 1 1 127 127 LEU HD13 H 1 0.815 0.002 . 2 . 1343 . . 127 LEU HD13 . 18459 1 1495 . 1 1 127 127 LEU HD21 H 1 0.739 0.003 . 2 . 1344 . . 127 LEU HD21 . 18459 1 1496 . 1 1 127 127 LEU HD22 H 1 0.739 0.003 . 2 . 1344 . . 127 LEU HD22 . 18459 1 1497 . 1 1 127 127 LEU HD23 H 1 0.739 0.003 . 2 . 1344 . . 127 LEU HD23 . 18459 1 1498 . 1 1 127 127 LEU C C 13 175.934 . . 1 . 1333 . . 127 LEU C . 18459 1 1499 . 1 1 127 127 LEU CA C 13 55.114 0.023 . 1 . 1334 . . 127 LEU CA . 18459 1 1500 . 1 1 127 127 LEU CB C 13 42.407 0.01 . 1 . 1335 . . 127 LEU CB . 18459 1 1501 . 1 1 127 127 LEU CG C 13 26.834 0.039 . 1 . 1338 . . 127 LEU CG . 18459 1 1502 . 1 1 127 127 LEU CD1 C 13 24.879 0.001 . 2 . 1336 . . 127 LEU CD1 . 18459 1 1503 . 1 1 127 127 LEU CD2 C 13 23.312 0.002 . 2 . 1337 . . 127 LEU CD2 . 18459 1 1504 . 1 1 127 127 LEU N N 15 121.274 0.028 . 1 . 1346 . . 127 LEU N . 18459 1 1505 . 1 1 128 128 TYR H H 1 7.427 0.002 . 1 . 1354 . . 128 TYR H . 18459 1 1506 . 1 1 128 128 TYR HA H 1 4.299 0.002 . 1 . 1355 . . 128 TYR HA . 18459 1 1507 . 1 1 128 128 TYR HB2 H 1 2.791 . . 2 . 1356 . . 128 TYR HB2 . 18459 1 1508 . 1 1 128 128 TYR HB3 H 1 3.010 . . 2 . 1357 . . 128 TYR HB3 . 18459 1 1509 . 1 1 128 128 TYR HD1 H 1 7.004 0.001 . 3 . 1358 . . 128 TYR HD1 . 18459 1 1510 . 1 1 128 128 TYR HD2 H 1 7.004 0.001 . 3 . 1359 . . 128 TYR HD2 . 18459 1 1511 . 1 1 128 128 TYR HE1 H 1 6.732 . . 3 . 1360 . . 128 TYR HE1 . 18459 1 1512 . 1 1 128 128 TYR HE2 H 1 6.732 . . 3 . 1361 . . 128 TYR HE2 . 18459 1 1513 . 1 1 128 128 TYR C C 13 180.191 . . 1 . 1347 . . 128 TYR C . 18459 1 1514 . 1 1 128 128 TYR CA C 13 58.725 . . 1 . 1348 . . 128 TYR CA . 18459 1 1515 . 1 1 128 128 TYR CB C 13 39.395 0.016 . 1 . 1349 . . 128 TYR CB . 18459 1 1516 . 1 1 128 128 TYR CD1 C 13 133.226 . . 3 . 1350 . . 128 TYR CD1 . 18459 1 1517 . 1 1 128 128 TYR CD2 C 13 133.226 . . 3 . 1351 . . 128 TYR CD2 . 18459 1 1518 . 1 1 128 128 TYR CE1 C 13 117.888 . . 3 . 1352 . . 128 TYR CE1 . 18459 1 1519 . 1 1 128 128 TYR CE2 C 13 117.888 . . 3 . 1353 . . 128 TYR CE2 . 18459 1 1520 . 1 1 128 128 TYR N N 15 124.543 0.037 . 1 . 1362 . . 128 TYR N . 18459 1 stop_ save_