data_34765 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34765 _Entry.Title ; Solution structure of human apo/Calmodulin G113R (G114R) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-25 _Entry.Accession_date 2022-10-25 _Entry.Last_release_date 2022-12-01 _Entry.Original_release_date 2022-12-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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.ORCID _Entry_author.Entry_ID 1 R. Wimmer R. . . . 34765 2 C. Holler C. V. . . 34765 3 N. Petersson N. M. . . 34765 4 M. Brohus M. B. . . 34765 5 M. Niemelae M. . . . 34765 6 M. Overgaard M. T. . . 34765 7 H. Iwai H. . . . 34765 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium-binding protein Calcium signalling Cardiac arrhythmia' . 34765 'METAL BINDING PROTEIN' . 34765 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34765 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 34765 '15N chemical shifts' 70 34765 '1H chemical shifts' 417 34765 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 . . 2023-10-20 . original BMRB . 34765 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8BFG 'BMRB Entry Tracking System' 34765 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34765 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Building the Case against Calmodulin G113 - Circumstantial Evidence from Structure and Dynamics ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Petersson N. M. . . 34765 1 2 C. Holler C. V. . . 34765 1 3 M. Brohus M. B. . . 34765 1 4 M. Niemelae M. . . . 34765 1 5 M. Overgaard M. T. . . 34765 1 6 H. Iwai H. . . . 34765 1 7 R. Wimmer R. . . . 34765 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34765 _Assembly.ID 1 _Assembly.Name Calmodulin-1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34765 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34765 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLREKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation G113R _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16821.492 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The sample contained native calmodulin, that was segmentally isotope labelled with 13C and 15N from amino acids 81-148, while amino acids 1-80 were unlabelled. Thus, even though the whole native calmodulin sequence was present in the sample, only the structure of amino acids 81-148 was determined. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 34765 1 2 . ASP . 34765 1 3 . GLN . 34765 1 4 . LEU . 34765 1 5 . THR . 34765 1 6 . GLU . 34765 1 7 . GLU . 34765 1 8 . GLN . 34765 1 9 . ILE . 34765 1 10 . ALA . 34765 1 11 . GLU . 34765 1 12 . PHE . 34765 1 13 . LYS . 34765 1 14 . GLU . 34765 1 15 . ALA . 34765 1 16 . PHE . 34765 1 17 . SER . 34765 1 18 . LEU . 34765 1 19 . PHE . 34765 1 20 . ASP . 34765 1 21 . LYS . 34765 1 22 . ASP . 34765 1 23 . GLY . 34765 1 24 . ASP . 34765 1 25 . GLY . 34765 1 26 . THR . 34765 1 27 . ILE . 34765 1 28 . THR . 34765 1 29 . THR . 34765 1 30 . LYS . 34765 1 31 . GLU . 34765 1 32 . LEU . 34765 1 33 . GLY . 34765 1 34 . THR . 34765 1 35 . VAL . 34765 1 36 . MET . 34765 1 37 . ARG . 34765 1 38 . SER . 34765 1 39 . LEU . 34765 1 40 . GLY . 34765 1 41 . GLN . 34765 1 42 . ASN . 34765 1 43 . PRO . 34765 1 44 . THR . 34765 1 45 . GLU . 34765 1 46 . ALA . 34765 1 47 . GLU . 34765 1 48 . LEU . 34765 1 49 . GLN . 34765 1 50 . ASP . 34765 1 51 . MET . 34765 1 52 . ILE . 34765 1 53 . ASN . 34765 1 54 . GLU . 34765 1 55 . VAL . 34765 1 56 . ASP . 34765 1 57 . ALA . 34765 1 58 . ASP . 34765 1 59 . GLY . 34765 1 60 . ASN . 34765 1 61 . GLY . 34765 1 62 . THR . 34765 1 63 . ILE . 34765 1 64 . ASP . 34765 1 65 . PHE . 34765 1 66 . PRO . 34765 1 67 . GLU . 34765 1 68 . PHE . 34765 1 69 . LEU . 34765 1 70 . THR . 34765 1 71 . MET . 34765 1 72 . MET . 34765 1 73 . ALA . 34765 1 74 . ARG . 34765 1 75 . LYS . 34765 1 76 . MET . 34765 1 77 . LYS . 34765 1 78 . ASP . 34765 1 79 . THR . 34765 1 80 . ASP . 34765 1 81 . SER . 34765 1 82 . GLU . 34765 1 83 . GLU . 34765 1 84 . GLU . 34765 1 85 . ILE . 34765 1 86 . ARG . 34765 1 87 . GLU . 34765 1 88 . ALA . 34765 1 89 . PHE . 34765 1 90 . ARG . 34765 1 91 . VAL . 34765 1 92 . PHE . 34765 1 93 . ASP . 34765 1 94 . LYS . 34765 1 95 . ASP . 34765 1 96 . GLY . 34765 1 97 . ASN . 34765 1 98 . GLY . 34765 1 99 . TYR . 34765 1 100 . ILE . 34765 1 101 . SER . 34765 1 102 . ALA . 34765 1 103 . ALA . 34765 1 104 . GLU . 34765 1 105 . LEU . 34765 1 106 . ARG . 34765 1 107 . HIS . 34765 1 108 . VAL . 34765 1 109 . MET . 34765 1 110 . THR . 34765 1 111 . ASN . 34765 1 112 . LEU . 34765 1 113 . ARG . 34765 1 114 . GLU . 34765 1 115 . LYS . 34765 1 116 . LEU . 34765 1 117 . THR . 34765 1 118 . ASP . 34765 1 119 . GLU . 34765 1 120 . GLU . 34765 1 121 . VAL . 34765 1 122 . ASP . 34765 1 123 . GLU . 34765 1 124 . MET . 34765 1 125 . ILE . 34765 1 126 . ARG . 34765 1 127 . GLU . 34765 1 128 . ALA . 34765 1 129 . ASP . 34765 1 130 . ILE . 34765 1 131 . ASP . 34765 1 132 . GLY . 34765 1 133 . ASP . 34765 1 134 . GLY . 34765 1 135 . GLN . 34765 1 136 . VAL . 34765 1 137 . ASN . 34765 1 138 . TYR . 34765 1 139 . GLU . 34765 1 140 . GLU . 34765 1 141 . PHE . 34765 1 142 . VAL . 34765 1 143 . GLN . 34765 1 144 . MET . 34765 1 145 . MET . 34765 1 146 . THR . 34765 1 147 . ALA . 34765 1 148 . LYS . 34765 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 . ALA 1 1 34765 1 . ASP 2 2 34765 1 . GLN 3 3 34765 1 . LEU 4 4 34765 1 . THR 5 5 34765 1 . GLU 6 6 34765 1 . GLU 7 7 34765 1 . GLN 8 8 34765 1 . ILE 9 9 34765 1 . ALA 10 10 34765 1 . GLU 11 11 34765 1 . PHE 12 12 34765 1 . LYS 13 13 34765 1 . GLU 14 14 34765 1 . ALA 15 15 34765 1 . PHE 16 16 34765 1 . SER 17 17 34765 1 . LEU 18 18 34765 1 . PHE 19 19 34765 1 . ASP 20 20 34765 1 . LYS 21 21 34765 1 . ASP 22 22 34765 1 . GLY 23 23 34765 1 . ASP 24 24 34765 1 . GLY 25 25 34765 1 . THR 26 26 34765 1 . ILE 27 27 34765 1 . THR 28 28 34765 1 . THR 29 29 34765 1 . LYS 30 30 34765 1 . GLU 31 31 34765 1 . LEU 32 32 34765 1 . GLY 33 33 34765 1 . THR 34 34 34765 1 . VAL 35 35 34765 1 . MET 36 36 34765 1 . ARG 37 37 34765 1 . SER 38 38 34765 1 . LEU 39 39 34765 1 . GLY 40 40 34765 1 . GLN 41 41 34765 1 . ASN 42 42 34765 1 . PRO 43 43 34765 1 . THR 44 44 34765 1 . GLU 45 45 34765 1 . ALA 46 46 34765 1 . GLU 47 47 34765 1 . LEU 48 48 34765 1 . GLN 49 49 34765 1 . ASP 50 50 34765 1 . MET 51 51 34765 1 . ILE 52 52 34765 1 . ASN 53 53 34765 1 . GLU 54 54 34765 1 . VAL 55 55 34765 1 . ASP 56 56 34765 1 . ALA 57 57 34765 1 . ASP 58 58 34765 1 . GLY 59 59 34765 1 . ASN 60 60 34765 1 . GLY 61 61 34765 1 . THR 62 62 34765 1 . ILE 63 63 34765 1 . ASP 64 64 34765 1 . PHE 65 65 34765 1 . PRO 66 66 34765 1 . GLU 67 67 34765 1 . PHE 68 68 34765 1 . LEU 69 69 34765 1 . THR 70 70 34765 1 . MET 71 71 34765 1 . MET 72 72 34765 1 . ALA 73 73 34765 1 . ARG 74 74 34765 1 . LYS 75 75 34765 1 . MET 76 76 34765 1 . LYS 77 77 34765 1 . ASP 78 78 34765 1 . THR 79 79 34765 1 . ASP 80 80 34765 1 . SER 81 81 34765 1 . GLU 82 82 34765 1 . GLU 83 83 34765 1 . GLU 84 84 34765 1 . ILE 85 85 34765 1 . ARG 86 86 34765 1 . GLU 87 87 34765 1 . ALA 88 88 34765 1 . PHE 89 89 34765 1 . ARG 90 90 34765 1 . VAL 91 91 34765 1 . PHE 92 92 34765 1 . ASP 93 93 34765 1 . LYS 94 94 34765 1 . ASP 95 95 34765 1 . GLY 96 96 34765 1 . ASN 97 97 34765 1 . GLY 98 98 34765 1 . TYR 99 99 34765 1 . ILE 100 100 34765 1 . SER 101 101 34765 1 . ALA 102 102 34765 1 . ALA 103 103 34765 1 . GLU 104 104 34765 1 . LEU 105 105 34765 1 . ARG 106 106 34765 1 . HIS 107 107 34765 1 . VAL 108 108 34765 1 . MET 109 109 34765 1 . THR 110 110 34765 1 . ASN 111 111 34765 1 . LEU 112 112 34765 1 . ARG 113 113 34765 1 . GLU 114 114 34765 1 . LYS 115 115 34765 1 . LEU 116 116 34765 1 . THR 117 117 34765 1 . ASP 118 118 34765 1 . GLU 119 119 34765 1 . GLU 120 120 34765 1 . VAL 121 121 34765 1 . ASP 122 122 34765 1 . GLU 123 123 34765 1 . MET 124 124 34765 1 . ILE 125 125 34765 1 . ARG 126 126 34765 1 . GLU 127 127 34765 1 . ALA 128 128 34765 1 . ASP 129 129 34765 1 . ILE 130 130 34765 1 . ASP 131 131 34765 1 . GLY 132 132 34765 1 . ASP 133 133 34765 1 . GLY 134 134 34765 1 . GLN 135 135 34765 1 . VAL 136 136 34765 1 . ASN 137 137 34765 1 . TYR 138 138 34765 1 . GLU 139 139 34765 1 . GLU 140 140 34765 1 . PHE 141 141 34765 1 . VAL 142 142 34765 1 . GLN 143 143 34765 1 . MET 144 144 34765 1 . MET 145 145 34765 1 . THR 146 146 34765 1 . ALA 147 147 34765 1 . LYS 148 148 34765 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 34765 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CALM1, CALM, CAM, CAM1' . 34765 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 34765 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34765 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34765 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.2 mM aa 81-148: U-13C,15N Calmodulin G113R, 5 mM EDTA, 100 mM potassium chloride, 2 mM NaN3, 20 mM HEPES, 0.1 mM TSP-d4, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Calmodulin G113R' '[aa 81-148: U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 34765 1 2 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 34765 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34765 1 4 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 34765 1 5 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 34765 1 6 TSP-d4 'natural abundance' . . . . . . 0.1 . . mM . . . . 34765 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 34765 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 128 . mM 34765 1 pH 6.64 . pH* 34765 1 pressure 1 . atm 34765 1 temperature 298.1 . K 34765 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34765 _Software.ID 1 _Software.Type . _Software.Name YASARA _Software.Version 21.12.19 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'YASARA Biosciences' . . 34765 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34765 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34765 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34765 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34765 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34765 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.8.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34765 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34765 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34765 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.6.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34765 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34765 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34765 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'CPP-TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34765 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34765 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 34765 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 8 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 10 COCA no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 14 (HB)CB(CGCDCE)HE no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 15 (HB)CB(CGCD)HD no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34765 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34765 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 0.25144954 . . . . . 34765 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 34765 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 34765 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34765 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34765 1 2 '2D 1H-13C HSQC aliphatic' . . . 34765 1 3 '2D 1H-13C HSQC aromatic' . . . 34765 1 4 '3D HNCO' . . . 34765 1 5 '3D HN(CA)CO' . . . 34765 1 6 '3D HNCA' . . . 34765 1 7 '3D HNCACB' . . . 34765 1 8 '3D (H)CC(CO)NH' . . . 34765 1 9 '3D H(CCO)NH' . . . 34765 1 10 COCA . . . 34765 1 11 '3D CBCA(CO)NH' . . . 34765 1 12 '3D 1H-13C NOESY aliphatic' . . . 34765 1 13 '3D 1H-15N NOESY' . . . 34765 1 14 (HB)CB(CGCDCE)HE . . . 34765 1 15 (HB)CB(CGCD)HD . . . 34765 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 81 81 SER HA H 1 4.435 0.020 . 1 . . . . A 81 SER HA . 34765 1 2 . 1 . 1 81 81 SER HB2 H 1 3.984 0.020 . 2 . . . . A 81 SER HB2 . 34765 1 3 . 1 . 1 81 81 SER HB3 H 1 4.118 0.020 . 2 . . . . A 81 SER HB3 . 34765 1 4 . 1 . 1 81 81 SER C C 13 173.841 0.3 . 1 . . . . A 81 SER C . 34765 1 5 . 1 . 1 81 81 SER CA C 13 59.564 0.3 . 1 . . . . A 81 SER CA . 34765 1 6 . 1 . 1 81 81 SER CB C 13 63.958 0.3 . 1 . . . . A 81 SER CB . 34765 1 7 . 1 . 1 82 82 GLU H H 1 8.549 0.020 . 1 . . . . A 82 GLU H . 34765 1 8 . 1 . 1 82 82 GLU HA H 1 3.950 0.020 . 1 . . . . A 82 GLU HA . 34765 1 9 . 1 . 1 82 82 GLU HB2 H 1 2.148 0.020 . 2 . . . . A 82 GLU HB2 . 34765 1 10 . 1 . 1 82 82 GLU HB3 H 1 2.067 0.020 . 2 . . . . A 82 GLU HB3 . 34765 1 11 . 1 . 1 82 82 GLU HG2 H 1 2.175 0.020 . 1 . . . . A 82 GLU HG2 . 34765 1 12 . 1 . 1 82 82 GLU C C 13 176.137 0.3 . 1 . . . . A 82 GLU C . 34765 1 13 . 1 . 1 82 82 GLU CA C 13 59.588 0.3 . 1 . . . . A 82 GLU CA . 34765 1 14 . 1 . 1 82 82 GLU CB C 13 29.574 0.3 . 1 . . . . A 82 GLU CB . 34765 1 15 . 1 . 1 82 82 GLU CG C 13 36.120 0.3 . 1 . . . . A 82 GLU CG . 34765 1 16 . 1 . 1 82 82 GLU N N 15 122.243 0.3 . 1 . . . . A 82 GLU N . 34765 1 17 . 1 . 1 83 83 GLU H H 1 8.275 0.020 . 1 . . . . A 83 GLU H . 34765 1 18 . 1 . 1 83 83 GLU HA H 1 4.133 0.020 . 1 . . . . A 83 GLU HA . 34765 1 19 . 1 . 1 83 83 GLU HB2 H 1 2.050 0.020 . 2 . . . . A 83 GLU HB2 . 34765 1 20 . 1 . 1 83 83 GLU HB3 H 1 2.101 0.020 . 2 . . . . A 83 GLU HB3 . 34765 1 21 . 1 . 1 83 83 GLU HG2 H 1 2.382 0.020 . 2 . . . . A 83 GLU HG2 . 34765 1 22 . 1 . 1 83 83 GLU HG3 H 1 2.673 0.020 . 2 . . . . A 83 GLU HG3 . 34765 1 23 . 1 . 1 83 83 GLU C C 13 176.914 0.3 . 1 . . . . A 83 GLU C . 34765 1 24 . 1 . 1 83 83 GLU CA C 13 59.234 0.3 . 1 . . . . A 83 GLU CA . 34765 1 25 . 1 . 1 83 83 GLU CB C 13 29.500 0.3 . 1 . . . . A 83 GLU CB . 34765 1 26 . 1 . 1 83 83 GLU CG C 13 36.121 0.3 . 1 . . . . A 83 GLU CG . 34765 1 27 . 1 . 1 83 83 GLU N N 15 118.163 0.3 . 1 . . . . A 83 GLU N . 34765 1 28 . 1 . 1 84 84 GLU H H 1 7.987 0.020 . 1 . . . . A 84 GLU H . 34765 1 29 . 1 . 1 84 84 GLU HA H 1 4.014 0.020 . 1 . . . . A 84 GLU HA . 34765 1 30 . 1 . 1 84 84 GLU HB2 H 1 2.067 0.020 . 2 . . . . A 84 GLU HB2 . 34765 1 31 . 1 . 1 84 84 GLU HB3 H 1 2.182 0.020 . 2 . . . . A 84 GLU HB3 . 34765 1 32 . 1 . 1 84 84 GLU HG3 H 1 2.377 0.020 . 1 . . . . A 84 GLU HG3 . 34765 1 33 . 1 . 1 84 84 GLU C C 13 178.010 0.3 . 1 . . . . A 84 GLU C . 34765 1 34 . 1 . 1 84 84 GLU CA C 13 59.231 0.3 . 1 . . . . A 84 GLU CA . 34765 1 35 . 1 . 1 84 84 GLU CB C 13 29.572 0.3 . 1 . . . . A 84 GLU CB . 34765 1 36 . 1 . 1 84 84 GLU CG C 13 36.584 0.3 . 1 . . . . A 84 GLU CG . 34765 1 37 . 1 . 1 84 84 GLU N N 15 119.359 0.3 . 1 . . . . A 84 GLU N . 34765 1 38 . 1 . 1 85 85 ILE H H 1 7.991 0.020 . 1 . . . . A 85 ILE H . 34765 1 39 . 1 . 1 85 85 ILE HA H 1 3.614 0.020 . 1 . . . . A 85 ILE HA . 34765 1 40 . 1 . 1 85 85 ILE HB H 1 1.941 0.020 . 1 . . . . A 85 ILE HB . 34765 1 41 . 1 . 1 85 85 ILE HG12 H 1 1.016 0.020 . 1 . . . . A 85 ILE HG12 . 34765 1 42 . 1 . 1 85 85 ILE HG21 H 1 0.978 0.020 . 1 . . . . A 85 ILE HG21 . 34765 1 43 . 1 . 1 85 85 ILE HG22 H 1 0.978 0.020 . 1 . . . . A 85 ILE HG22 . 34765 1 44 . 1 . 1 85 85 ILE HG23 H 1 0.978 0.020 . 1 . . . . A 85 ILE HG23 . 34765 1 45 . 1 . 1 85 85 ILE HD11 H 1 0.844 0.020 . 1 . . . . A 85 ILE HD11 . 34765 1 46 . 1 . 1 85 85 ILE HD12 H 1 0.844 0.020 . 1 . . . . A 85 ILE HD12 . 34765 1 47 . 1 . 1 85 85 ILE HD13 H 1 0.844 0.020 . 1 . . . . A 85 ILE HD13 . 34765 1 48 . 1 . 1 85 85 ILE C C 13 175.440 0.3 . 1 . . . . A 85 ILE C . 34765 1 49 . 1 . 1 85 85 ILE CA C 13 64.837 0.3 . 1 . . . . A 85 ILE CA . 34765 1 50 . 1 . 1 85 85 ILE CB C 13 37.939 0.3 . 1 . . . . A 85 ILE CB . 34765 1 51 . 1 . 1 85 85 ILE CG1 C 13 29.083 0.3 . 1 . . . . A 85 ILE CG1 . 34765 1 52 . 1 . 1 85 85 ILE CG2 C 13 19.303 0.3 . 1 . . . . A 85 ILE CG2 . 34765 1 53 . 1 . 1 85 85 ILE CD1 C 13 13.618 0.3 . 1 . . . . A 85 ILE CD1 . 34765 1 54 . 1 . 1 85 85 ILE N N 15 120.456 0.3 . 1 . . . . A 85 ILE N . 34765 1 55 . 1 . 1 86 86 ARG H H 1 8.387 0.020 . 1 . . . . A 86 ARG H . 34765 1 56 . 1 . 1 86 86 ARG HA H 1 3.972 0.020 . 1 . . . . A 86 ARG HA . 34765 1 57 . 1 . 1 86 86 ARG HB3 H 1 2.078 0.020 . 1 . . . . A 86 ARG HB3 . 34765 1 58 . 1 . 1 86 86 ARG HG2 H 1 1.723 0.020 . 1 . . . . A 86 ARG HG2 . 34765 1 59 . 1 . 1 86 86 ARG HD2 H 1 3.351 0.020 . 1 . . . . A 86 ARG HD2 . 34765 1 60 . 1 . 1 86 86 ARG C C 13 177.362 0.3 . 1 . . . . A 86 ARG C . 34765 1 61 . 1 . 1 86 86 ARG CA C 13 61.291 0.3 . 1 . . . . A 86 ARG CA . 34765 1 62 . 1 . 1 86 86 ARG CB C 13 30.444 0.3 . 1 . . . . A 86 ARG CB . 34765 1 63 . 1 . 1 86 86 ARG CG C 13 29.743 0.3 . 1 . . . . A 86 ARG CG . 34765 1 64 . 1 . 1 86 86 ARG CD C 13 43.316 0.3 . 1 . . . . A 86 ARG CD . 34765 1 65 . 1 . 1 86 86 ARG N N 15 119.463 0.3 . 1 . . . . A 86 ARG N . 34765 1 66 . 1 . 1 87 87 GLU H H 1 8.417 0.020 . 1 . . . . A 87 GLU H . 34765 1 67 . 1 . 1 87 87 GLU HA H 1 4.030 0.020 . 1 . . . . A 87 GLU HA . 34765 1 68 . 1 . 1 87 87 GLU HB2 H 1 2.033 0.020 . 2 . . . . A 87 GLU HB2 . 34765 1 69 . 1 . 1 87 87 GLU HB3 H 1 2.114 0.020 . 2 . . . . A 87 GLU HB3 . 34765 1 70 . 1 . 1 87 87 GLU HG3 H 1 2.382 0.020 . 1 . . . . A 87 GLU HG3 . 34765 1 71 . 1 . 1 87 87 GLU C C 13 176.615 0.3 . 1 . . . . A 87 GLU C . 34765 1 72 . 1 . 1 87 87 GLU CA C 13 58.905 0.3 . 1 . . . . A 87 GLU CA . 34765 1 73 . 1 . 1 87 87 GLU CB C 13 29.372 0.3 . 1 . . . . A 87 GLU CB . 34765 1 74 . 1 . 1 87 87 GLU CG C 13 36.134 0.3 . 1 . . . . A 87 GLU CG . 34765 1 75 . 1 . 1 87 87 GLU N N 15 116.799 0.3 . 1 . . . . A 87 GLU N . 34765 1 76 . 1 . 1 88 88 ALA H H 1 7.519 0.020 . 1 . . . . A 88 ALA H . 34765 1 77 . 1 . 1 88 88 ALA HA H 1 4.109 0.020 . 1 . . . . A 88 ALA HA . 34765 1 78 . 1 . 1 88 88 ALA HB1 H 1 1.359 0.020 . 1 . . . . A 88 ALA HB1 . 34765 1 79 . 1 . 1 88 88 ALA HB2 H 1 1.359 0.020 . 1 . . . . A 88 ALA HB2 . 34765 1 80 . 1 . 1 88 88 ALA HB3 H 1 1.359 0.020 . 1 . . . . A 88 ALA HB3 . 34765 1 81 . 1 . 1 88 88 ALA C C 13 178.521 0.3 . 1 . . . . A 88 ALA C . 34765 1 82 . 1 . 1 88 88 ALA CA C 13 54.691 0.3 . 1 . . . . A 88 ALA CA . 34765 1 83 . 1 . 1 88 88 ALA CB C 13 17.981 0.3 . 1 . . . . A 88 ALA CB . 34765 1 84 . 1 . 1 88 88 ALA N N 15 121.519 0.3 . 1 . . . . A 88 ALA N . 34765 1 85 . 1 . 1 89 89 PHE H H 1 7.531 0.020 . 1 . . . . A 89 PHE H . 34765 1 86 . 1 . 1 89 89 PHE HA H 1 4.313 0.020 . 1 . . . . A 89 PHE HA . 34765 1 87 . 1 . 1 89 89 PHE HB2 H 1 2.630 0.020 . 2 . . . . A 89 PHE HB2 . 34765 1 88 . 1 . 1 89 89 PHE HB3 H 1 2.059 0.020 . 2 . . . . A 89 PHE HB3 . 34765 1 89 . 1 . 1 89 89 PHE HD1 H 1 7.029 0.020 . 1 . . . . A 89 PHE HD1 . 34765 1 90 . 1 . 1 89 89 PHE HE1 H 1 7.263 0.020 . 1 . . . . A 89 PHE HE1 . 34765 1 91 . 1 . 1 89 89 PHE C C 13 176.469 0.3 . 1 . . . . A 89 PHE C . 34765 1 92 . 1 . 1 89 89 PHE CA C 13 60.024 0.3 . 1 . . . . A 89 PHE CA . 34765 1 93 . 1 . 1 89 89 PHE CB C 13 39.415 0.3 . 1 . . . . A 89 PHE CB . 34765 1 94 . 1 . 1 89 89 PHE CD1 C 13 131.083 0.3 . 1 . . . . A 89 PHE CD1 . 34765 1 95 . 1 . 1 89 89 PHE CE1 C 13 131.848 0.3 . 1 . . . . A 89 PHE CE1 . 34765 1 96 . 1 . 1 89 89 PHE N N 15 114.464 0.3 . 1 . . . . A 89 PHE N . 34765 1 97 . 1 . 1 90 90 ARG H H 1 8.288 0.020 . 1 . . . . A 90 ARG H . 34765 1 98 . 1 . 1 90 90 ARG HA H 1 3.799 0.020 . 1 . . . . A 90 ARG HA . 34765 1 99 . 1 . 1 90 90 ARG HB3 H 1 1.959 0.020 . 1 . . . . A 90 ARG HB3 . 34765 1 100 . 1 . 1 90 90 ARG HG2 H 1 1.875 0.020 . 2 . . . . A 90 ARG HG2 . 34765 1 101 . 1 . 1 90 90 ARG HG3 H 1 1.961 0.020 . 2 . . . . A 90 ARG HG3 . 34765 1 102 . 1 . 1 90 90 ARG HD2 H 1 3.272 0.020 . 2 . . . . A 90 ARG HD2 . 34765 1 103 . 1 . 1 90 90 ARG HD3 H 1 3.273 0.020 . 2 . . . . A 90 ARG HD3 . 34765 1 104 . 1 . 1 90 90 ARG C C 13 176.868 0.3 . 1 . . . . A 90 ARG C . 34765 1 105 . 1 . 1 90 90 ARG CA C 13 59.184 0.3 . 1 . . . . A 90 ARG CA . 34765 1 106 . 1 . 1 90 90 ARG CB C 13 30.429 0.3 . 1 . . . . A 90 ARG CB . 34765 1 107 . 1 . 1 90 90 ARG CG C 13 27.830 0.3 . 1 . . . . A 90 ARG CG . 34765 1 108 . 1 . 1 90 90 ARG CD C 13 43.585 0.3 . 1 . . . . A 90 ARG CD . 34765 1 109 . 1 . 1 90 90 ARG N N 15 118.116 0.3 . 1 . . . . A 90 ARG N . 34765 1 110 . 1 . 1 91 91 VAL H H 1 7.168 0.020 . 1 . . . . A 91 VAL H . 34765 1 111 . 1 . 1 91 91 VAL HA H 1 3.579 0.020 . 1 . . . . A 91 VAL HA . 34765 1 112 . 1 . 1 91 91 VAL HB H 1 1.734 0.020 . 1 . . . . A 91 VAL HB . 34765 1 113 . 1 . 1 91 91 VAL HG11 H 1 0.401 0.020 . 1 . . . . A 91 VAL HG11 . 34765 1 114 . 1 . 1 91 91 VAL HG12 H 1 0.401 0.020 . 1 . . . . A 91 VAL HG12 . 34765 1 115 . 1 . 1 91 91 VAL HG13 H 1 0.401 0.020 . 1 . . . . A 91 VAL HG13 . 34765 1 116 . 1 . 1 91 91 VAL HG21 H 1 0.850 0.020 . 1 . . . . A 91 VAL HG21 . 34765 1 117 . 1 . 1 91 91 VAL HG22 H 1 0.850 0.020 . 1 . . . . A 91 VAL HG22 . 34765 1 118 . 1 . 1 91 91 VAL HG23 H 1 0.850 0.020 . 1 . . . . A 91 VAL HG23 . 34765 1 119 . 1 . 1 91 91 VAL C C 13 175.356 0.3 . 1 . . . . A 91 VAL C . 34765 1 120 . 1 . 1 91 91 VAL CA C 13 65.285 0.3 . 1 . . . . A 91 VAL CA . 34765 1 121 . 1 . 1 91 91 VAL CB C 13 31.895 0.3 . 1 . . . . A 91 VAL CB . 34765 1 122 . 1 . 1 91 91 VAL CG1 C 13 20.600 0.3 . 1 . . . . A 91 VAL CG1 . 34765 1 123 . 1 . 1 91 91 VAL CG2 C 13 21.768 0.3 . 1 . . . . A 91 VAL CG2 . 34765 1 124 . 1 . 1 91 91 VAL N N 15 117.119 0.3 . 1 . . . . A 91 VAL N . 34765 1 125 . 1 . 1 92 92 PHE H H 1 7.357 0.020 . 1 . . . . A 92 PHE H . 34765 1 126 . 1 . 1 92 92 PHE HA H 1 4.469 0.020 . 1 . . . . A 92 PHE HA . 34765 1 127 . 1 . 1 92 92 PHE HB2 H 1 2.782 0.020 . 2 . . . . A 92 PHE HB2 . 34765 1 128 . 1 . 1 92 92 PHE HB3 H 1 3.488 0.020 . 2 . . . . A 92 PHE HB3 . 34765 1 129 . 1 . 1 92 92 PHE HD1 H 1 7.307 0.020 . 1 . . . . A 92 PHE HD1 . 34765 1 130 . 1 . 1 92 92 PHE HE1 H 1 7.303 0.020 . 1 . . . . A 92 PHE HE1 . 34765 1 131 . 1 . 1 92 92 PHE C C 13 173.691 0.3 . 1 . . . . A 92 PHE C . 34765 1 132 . 1 . 1 92 92 PHE CA C 13 59.046 0.3 . 1 . . . . A 92 PHE CA . 34765 1 133 . 1 . 1 92 92 PHE CB C 13 40.029 0.3 . 1 . . . . A 92 PHE CB . 34765 1 134 . 1 . 1 92 92 PHE CE1 C 13 131.364 0.3 . 1 . . . . A 92 PHE CE1 . 34765 1 135 . 1 . 1 92 92 PHE CZ C 13 130.952 0.3 . 1 . . . . A 92 PHE CZ . 34765 1 136 . 1 . 1 92 92 PHE N N 15 115.776 0.3 . 1 . . . . A 92 PHE N . 34765 1 137 . 1 . 1 93 93 ASP H H 1 7.843 0.020 . 1 . . . . A 93 ASP H . 34765 1 138 . 1 . 1 93 93 ASP HA H 1 5.099 0.020 . 1 . . . . A 93 ASP HA . 34765 1 139 . 1 . 1 93 93 ASP HB2 H 1 2.522 0.020 . 2 . . . . A 93 ASP HB2 . 34765 1 140 . 1 . 1 93 93 ASP HB3 H 1 3.216 0.020 . 2 . . . . A 93 ASP HB3 . 34765 1 141 . 1 . 1 93 93 ASP C C 13 175.149 0.3 . 1 . . . . A 93 ASP C . 34765 1 142 . 1 . 1 93 93 ASP CA C 13 52.361 0.3 . 1 . . . . A 93 ASP CA . 34765 1 143 . 1 . 1 93 93 ASP CB C 13 40.033 0.3 . 1 . . . . A 93 ASP CB . 34765 1 144 . 1 . 1 93 93 ASP N N 15 121.685 0.3 . 1 . . . . A 93 ASP N . 34765 1 145 . 1 . 1 94 94 LYS H H 1 8.404 0.020 . 1 . . . . A 94 LYS H . 34765 1 146 . 1 . 1 94 94 LYS HA H 1 4.128 0.020 . 1 . . . . A 94 LYS HA . 34765 1 147 . 1 . 1 94 94 LYS HB2 H 1 1.917 0.020 . 2 . . . . A 94 LYS HB2 . 34765 1 148 . 1 . 1 94 94 LYS HB3 H 1 1.923 0.020 . 2 . . . . A 94 LYS HB3 . 34765 1 149 . 1 . 1 94 94 LYS HG2 H 1 1.543 0.020 . 2 . . . . A 94 LYS HG2 . 34765 1 150 . 1 . 1 94 94 LYS HG3 H 1 1.614 0.020 . 2 . . . . A 94 LYS HG3 . 34765 1 151 . 1 . 1 94 94 LYS HD3 H 1 1.769 0.020 . 1 . . . . A 94 LYS HD3 . 34765 1 152 . 1 . 1 94 94 LYS C C 13 176.615 0.3 . 1 . . . . A 94 LYS C . 34765 1 153 . 1 . 1 94 94 LYS CA C 13 58.588 0.3 . 1 . . . . A 94 LYS CA . 34765 1 154 . 1 . 1 94 94 LYS CB C 13 32.410 0.3 . 1 . . . . A 94 LYS CB . 34765 1 155 . 1 . 1 94 94 LYS CG C 13 24.787 0.3 . 1 . . . . A 94 LYS CG . 34765 1 156 . 1 . 1 94 94 LYS CD C 13 28.807 0.3 . 1 . . . . A 94 LYS CD . 34765 1 157 . 1 . 1 94 94 LYS CE C 13 42.152 0.3 . 1 . . . . A 94 LYS CE . 34765 1 158 . 1 . 1 94 94 LYS N N 15 124.479 0.3 . 1 . . . . A 94 LYS N . 34765 1 159 . 1 . 1 95 95 ASP H H 1 8.662 0.020 . 1 . . . . A 95 ASP H . 34765 1 160 . 1 . 1 95 95 ASP HA H 1 4.745 0.020 . 1 . . . . A 95 ASP HA . 34765 1 161 . 1 . 1 95 95 ASP HB2 H 1 2.762 0.020 . 1 . . . . A 95 ASP HB2 . 34765 1 162 . 1 . 1 95 95 ASP C C 13 175.469 0.3 . 1 . . . . A 95 ASP C . 34765 1 163 . 1 . 1 95 95 ASP CA C 13 53.981 0.3 . 1 . . . . A 95 ASP CA . 34765 1 164 . 1 . 1 95 95 ASP CB C 13 40.909 0.3 . 1 . . . . A 95 ASP CB . 34765 1 165 . 1 . 1 95 95 ASP N N 15 115.983 0.3 . 1 . . . . A 95 ASP N . 34765 1 166 . 1 . 1 96 96 GLY H H 1 7.971 0.020 . 1 . . . . A 96 GLY H . 34765 1 167 . 1 . 1 96 96 GLY HA2 H 1 3.825 0.020 . 2 . . . . A 96 GLY HA2 . 34765 1 168 . 1 . 1 96 96 GLY HA3 H 1 3.963 0.020 . 2 . . . . A 96 GLY HA3 . 34765 1 169 . 1 . 1 96 96 GLY C C 13 173.814 0.3 . 1 . . . . A 96 GLY C . 34765 1 170 . 1 . 1 96 96 GLY CA C 13 47.084 0.3 . 1 . . . . A 96 GLY CA . 34765 1 171 . 1 . 1 96 96 GLY N N 15 110.550 0.3 . 1 . . . . A 96 GLY N . 34765 1 172 . 1 . 1 97 97 ASN H H 1 9.009 0.020 . 1 . . . . A 97 ASN H . 34765 1 173 . 1 . 1 97 97 ASN HA H 1 4.833 0.020 . 1 . . . . A 97 ASN HA . 34765 1 174 . 1 . 1 97 97 ASN HB2 H 1 2.756 0.020 . 2 . . . . A 97 ASN HB2 . 34765 1 175 . 1 . 1 97 97 ASN HB3 H 1 3.111 0.020 . 2 . . . . A 97 ASN HB3 . 34765 1 176 . 1 . 1 97 97 ASN C C 13 175.124 0.3 . 1 . . . . A 97 ASN C . 34765 1 177 . 1 . 1 97 97 ASN CA C 13 52.981 0.3 . 1 . . . . A 97 ASN CA . 34765 1 178 . 1 . 1 97 97 ASN CB C 13 39.284 0.3 . 1 . . . . A 97 ASN CB . 34765 1 179 . 1 . 1 97 97 ASN N N 15 119.270 0.3 . 1 . . . . A 97 ASN N . 34765 1 180 . 1 . 1 98 98 GLY H H 1 10.125 0.020 . 1 . . . . A 98 GLY H . 34765 1 181 . 1 . 1 98 98 GLY HA2 H 1 3.133 0.020 . 2 . . . . A 98 GLY HA2 . 34765 1 182 . 1 . 1 98 98 GLY HA3 H 1 3.954 0.020 . 2 . . . . A 98 GLY HA3 . 34765 1 183 . 1 . 1 98 98 GLY C C 13 171.273 0.3 . 1 . . . . A 98 GLY C . 34765 1 184 . 1 . 1 98 98 GLY CA C 13 45.536 0.3 . 1 . . . . A 98 GLY CA . 34765 1 185 . 1 . 1 98 98 GLY N N 15 110.882 0.3 . 1 . . . . A 98 GLY N . 34765 1 186 . 1 . 1 99 99 TYR H H 1 7.880 0.020 . 1 . . . . A 99 TYR H . 34765 1 187 . 1 . 1 99 99 TYR HA H 1 5.560 0.020 . 1 . . . . A 99 TYR HA . 34765 1 188 . 1 . 1 99 99 TYR HB2 H 1 2.773 0.020 . 2 . . . . A 99 TYR HB2 . 34765 1 189 . 1 . 1 99 99 TYR HB3 H 1 2.888 0.020 . 2 . . . . A 99 TYR HB3 . 34765 1 190 . 1 . 1 99 99 TYR HD1 H 1 6.810 0.020 . 1 . . . . A 99 TYR HD1 . 34765 1 191 . 1 . 1 99 99 TYR HE2 H 1 6.814 0.020 . 1 . . . . A 99 TYR HE2 . 34765 1 192 . 1 . 1 99 99 TYR C C 13 173.863 0.3 . 1 . . . . A 99 TYR C . 34765 1 193 . 1 . 1 99 99 TYR CA C 13 56.674 0.3 . 1 . . . . A 99 TYR CA . 34765 1 194 . 1 . 1 99 99 TYR CB C 13 41.249 0.3 . 1 . . . . A 99 TYR CB . 34765 1 195 . 1 . 1 99 99 TYR CD1 C 13 133.421 0.3 . 1 . . . . A 99 TYR CD1 . 34765 1 196 . 1 . 1 99 99 TYR CE2 C 13 118.081 0.3 . 1 . . . . A 99 TYR CE2 . 34765 1 197 . 1 . 1 99 99 TYR N N 15 118.696 0.3 . 1 . . . . A 99 TYR N . 34765 1 198 . 1 . 1 100 100 ILE H H 1 8.596 0.020 . 1 . . . . A 100 ILE H . 34765 1 199 . 1 . 1 100 100 ILE HA H 1 5.056 0.020 . 1 . . . . A 100 ILE HA . 34765 1 200 . 1 . 1 100 100 ILE HB H 1 2.489 0.020 . 1 . . . . A 100 ILE HB . 34765 1 201 . 1 . 1 100 100 ILE HG12 H 1 1.496 0.020 . 2 . . . . A 100 ILE HG12 . 34765 1 202 . 1 . 1 100 100 ILE HG13 H 1 1.507 0.020 . 2 . . . . A 100 ILE HG13 . 34765 1 203 . 1 . 1 100 100 ILE HG21 H 1 0.953 0.020 . 1 . . . . A 100 ILE HG21 . 34765 1 204 . 1 . 1 100 100 ILE HG22 H 1 0.953 0.020 . 1 . . . . A 100 ILE HG22 . 34765 1 205 . 1 . 1 100 100 ILE HG23 H 1 0.953 0.020 . 1 . . . . A 100 ILE HG23 . 34765 1 206 . 1 . 1 100 100 ILE HD11 H 1 0.691 0.020 . 1 . . . . A 100 ILE HD11 . 34765 1 207 . 1 . 1 100 100 ILE HD12 H 1 0.691 0.020 . 1 . . . . A 100 ILE HD12 . 34765 1 208 . 1 . 1 100 100 ILE HD13 H 1 0.691 0.020 . 1 . . . . A 100 ILE HD13 . 34765 1 209 . 1 . 1 100 100 ILE C C 13 173.079 0.3 . 1 . . . . A 100 ILE C . 34765 1 210 . 1 . 1 100 100 ILE CA C 13 59.427 0.3 . 1 . . . . A 100 ILE CA . 34765 1 211 . 1 . 1 100 100 ILE CB C 13 41.573 0.3 . 1 . . . . A 100 ILE CB . 34765 1 212 . 1 . 1 100 100 ILE CG1 C 13 24.244 0.3 . 1 . . . . A 100 ILE CG1 . 34765 1 213 . 1 . 1 100 100 ILE CG2 C 13 18.479 0.3 . 1 . . . . A 100 ILE CG2 . 34765 1 214 . 1 . 1 100 100 ILE CD1 C 13 13.869 0.3 . 1 . . . . A 100 ILE CD1 . 34765 1 215 . 1 . 1 100 100 ILE N N 15 113.178 0.3 . 1 . . . . A 100 ILE N . 34765 1 216 . 1 . 1 101 101 SER H H 1 9.006 0.020 . 1 . . . . A 101 SER H . 34765 1 217 . 1 . 1 101 101 SER HA H 1 4.840 0.020 . 1 . . . . A 101 SER HA . 34765 1 218 . 1 . 1 101 101 SER HB2 H 1 3.997 0.020 . 2 . . . . A 101 SER HB2 . 34765 1 219 . 1 . 1 101 101 SER HB3 H 1 4.379 0.020 . 2 . . . . A 101 SER HB3 . 34765 1 220 . 1 . 1 101 101 SER C C 13 174.164 0.3 . 1 . . . . A 101 SER C . 34765 1 221 . 1 . 1 101 101 SER CA C 13 57.803 0.3 . 1 . . . . A 101 SER CA . 34765 1 222 . 1 . 1 101 101 SER CB C 13 65.193 0.3 . 1 . . . . A 101 SER CB . 34765 1 223 . 1 . 1 101 101 SER N N 15 117.345 0.3 . 1 . . . . A 101 SER N . 34765 1 224 . 1 . 1 102 102 ALA H H 1 8.786 0.020 . 1 . . . . A 102 ALA H . 34765 1 225 . 1 . 1 102 102 ALA HA H 1 3.888 0.020 . 1 . . . . A 102 ALA HA . 34765 1 226 . 1 . 1 102 102 ALA HB1 H 1 1.404 0.020 . 1 . . . . A 102 ALA HB1 . 34765 1 227 . 1 . 1 102 102 ALA HB2 H 1 1.404 0.020 . 1 . . . . A 102 ALA HB2 . 34765 1 228 . 1 . 1 102 102 ALA HB3 H 1 1.404 0.020 . 1 . . . . A 102 ALA HB3 . 34765 1 229 . 1 . 1 102 102 ALA C C 13 177.945 0.3 . 1 . . . . A 102 ALA C . 34765 1 230 . 1 . 1 102 102 ALA CA C 13 55.419 0.3 . 1 . . . . A 102 ALA CA . 34765 1 231 . 1 . 1 102 102 ALA CB C 13 17.786 0.3 . 1 . . . . A 102 ALA CB . 34765 1 232 . 1 . 1 102 102 ALA N N 15 124.353 0.3 . 1 . . . . A 102 ALA N . 34765 1 233 . 1 . 1 103 103 ALA H H 1 8.291 0.020 . 1 . . . . A 103 ALA H . 34765 1 234 . 1 . 1 103 103 ALA HA H 1 4.051 0.020 . 1 . . . . A 103 ALA HA . 34765 1 235 . 1 . 1 103 103 ALA HB1 H 1 1.360 0.020 . 1 . . . . A 103 ALA HB1 . 34765 1 236 . 1 . 1 103 103 ALA HB2 H 1 1.360 0.020 . 1 . . . . A 103 ALA HB2 . 34765 1 237 . 1 . 1 103 103 ALA HB3 H 1 1.360 0.020 . 1 . . . . A 103 ALA HB3 . 34765 1 238 . 1 . 1 103 103 ALA C C 13 179.584 0.3 . 1 . . . . A 103 ALA C . 34765 1 239 . 1 . 1 103 103 ALA CA C 13 54.962 0.3 . 1 . . . . A 103 ALA CA . 34765 1 240 . 1 . 1 103 103 ALA CB C 13 18.154 0.3 . 1 . . . . A 103 ALA CB . 34765 1 241 . 1 . 1 103 103 ALA N N 15 119.553 0.3 . 1 . . . . A 103 ALA N . 34765 1 242 . 1 . 1 104 104 GLU H H 1 7.767 0.020 . 1 . . . . A 104 GLU H . 34765 1 243 . 1 . 1 104 104 GLU HA H 1 3.560 0.020 . 1 . . . . A 104 GLU HA . 34765 1 244 . 1 . 1 104 104 GLU HB2 H 1 2.186 0.020 . 2 . . . . A 104 GLU HB2 . 34765 1 245 . 1 . 1 104 104 GLU HB3 H 1 1.150 0.020 . 2 . . . . A 104 GLU HB3 . 34765 1 246 . 1 . 1 104 104 GLU HG2 H 1 1.709 0.020 . 2 . . . . A 104 GLU HG2 . 34765 1 247 . 1 . 1 104 104 GLU HG3 H 1 2.017 0.020 . 2 . . . . A 104 GLU HG3 . 34765 1 248 . 1 . 1 104 104 GLU C C 13 176.194 0.3 . 1 . . . . A 104 GLU C . 34765 1 249 . 1 . 1 104 104 GLU CA C 13 58.499 0.3 . 1 . . . . A 104 GLU CA . 34765 1 250 . 1 . 1 104 104 GLU CB C 13 28.524 0.3 . 1 . . . . A 104 GLU CB . 34765 1 251 . 1 . 1 104 104 GLU CG C 13 37.062 0.3 . 1 . . . . A 104 GLU CG . 34765 1 252 . 1 . 1 104 104 GLU N N 15 121.152 0.3 . 1 . . . . A 104 GLU N . 34765 1 253 . 1 . 1 105 105 LEU H H 1 8.270 0.020 . 1 . . . . A 105 LEU H . 34765 1 254 . 1 . 1 105 105 LEU HA H 1 3.795 0.020 . 1 . . . . A 105 LEU HA . 34765 1 255 . 1 . 1 105 105 LEU HB2 H 1 1.307 0.020 . 2 . . . . A 105 LEU HB2 . 34765 1 256 . 1 . 1 105 105 LEU HB3 H 1 1.883 0.020 . 2 . . . . A 105 LEU HB3 . 34765 1 257 . 1 . 1 105 105 LEU HG H 1 0.931 0.020 . 1 . . . . A 105 LEU HG . 34765 1 258 . 1 . 1 105 105 LEU HD11 H 1 0.260 0.020 . 1 . . . . A 105 LEU HD11 . 34765 1 259 . 1 . 1 105 105 LEU HD12 H 1 0.260 0.020 . 1 . . . . A 105 LEU HD12 . 34765 1 260 . 1 . 1 105 105 LEU HD13 H 1 0.260 0.020 . 1 . . . . A 105 LEU HD13 . 34765 1 261 . 1 . 1 105 105 LEU HD21 H 1 0.240 0.020 . 1 . . . . A 105 LEU HD21 . 34765 1 262 . 1 . 1 105 105 LEU HD22 H 1 0.240 0.020 . 1 . . . . A 105 LEU HD22 . 34765 1 263 . 1 . 1 105 105 LEU HD23 H 1 0.240 0.020 . 1 . . . . A 105 LEU HD23 . 34765 1 264 . 1 . 1 105 105 LEU C C 13 177.004 0.3 . 1 . . . . A 105 LEU C . 34765 1 265 . 1 . 1 105 105 LEU CA C 13 58.879 0.3 . 1 . . . . A 105 LEU CA . 34765 1 266 . 1 . 1 105 105 LEU CB C 13 41.948 0.3 . 1 . . . . A 105 LEU CB . 34765 1 267 . 1 . 1 105 105 LEU CG C 13 26.364 0.3 . 1 . . . . A 105 LEU CG . 34765 1 268 . 1 . 1 105 105 LEU CD1 C 13 24.821 0.3 . 1 . . . . A 105 LEU CD1 . 34765 1 269 . 1 . 1 105 105 LEU CD2 C 13 25.572 0.3 . 1 . . . . A 105 LEU CD2 . 34765 1 270 . 1 . 1 105 105 LEU N N 15 120.750 0.3 . 1 . . . . A 105 LEU N . 34765 1 271 . 1 . 1 106 106 ARG H H 1 8.060 0.020 . 1 . . . . A 106 ARG H . 34765 1 272 . 1 . 1 106 106 ARG HA H 1 3.673 0.020 . 1 . . . . A 106 ARG HA . 34765 1 273 . 1 . 1 106 106 ARG HB3 H 1 1.818 0.020 . 1 . . . . A 106 ARG HB3 . 34765 1 274 . 1 . 1 106 106 ARG HG2 H 1 1.556 0.020 . 1 . . . . A 106 ARG HG2 . 34765 1 275 . 1 . 1 106 106 ARG HD3 H 1 3.314 0.020 . 1 . . . . A 106 ARG HD3 . 34765 1 276 . 1 . 1 106 106 ARG HE H 1 8.660 0.020 . 1 . . . . A 106 ARG HE . 34765 1 277 . 1 . 1 106 106 ARG C C 13 176.785 0.3 . 1 . . . . A 106 ARG C . 34765 1 278 . 1 . 1 106 106 ARG CA C 13 60.043 0.3 . 1 . . . . A 106 ARG CA . 34765 1 279 . 1 . 1 106 106 ARG CB C 13 30.040 0.3 . 1 . . . . A 106 ARG CB . 34765 1 280 . 1 . 1 106 106 ARG CG C 13 28.461 0.3 . 1 . . . . A 106 ARG CG . 34765 1 281 . 1 . 1 106 106 ARG CD C 13 42.933 0.3 . 1 . . . . A 106 ARG CD . 34765 1 282 . 1 . 1 106 106 ARG N N 15 117.594 0.3 . 1 . . . . A 106 ARG N . 34765 1 283 . 1 . 1 107 107 HIS H H 1 7.778 0.020 . 1 . . . . A 107 HIS H . 34765 1 284 . 1 . 1 107 107 HIS HA H 1 4.140 0.020 . 1 . . . . A 107 HIS HA . 34765 1 285 . 1 . 1 107 107 HIS HB2 H 1 3.057 0.020 . 2 . . . . A 107 HIS HB2 . 34765 1 286 . 1 . 1 107 107 HIS HB3 H 1 3.266 0.020 . 2 . . . . A 107 HIS HB3 . 34765 1 287 . 1 . 1 107 107 HIS HD2 H 1 6.894 0.020 . 1 . . . . A 107 HIS HD2 . 34765 1 288 . 1 . 1 107 107 HIS HE1 H 1 7.960 0.020 . 1 . . . . A 107 HIS HE1 . 34765 1 289 . 1 . 1 107 107 HIS C C 13 176.035 0.3 . 1 . . . . A 107 HIS C . 34765 1 290 . 1 . 1 107 107 HIS CA C 13 59.637 0.3 . 1 . . . . A 107 HIS CA . 34765 1 291 . 1 . 1 107 107 HIS CB C 13 29.707 0.3 . 1 . . . . A 107 HIS CB . 34765 1 292 . 1 . 1 107 107 HIS CD2 C 13 119.958 0.3 . 1 . . . . A 107 HIS CD2 . 34765 1 293 . 1 . 1 107 107 HIS CE1 C 13 138.434 0.3 . 1 . . . . A 107 HIS CE1 . 34765 1 294 . 1 . 1 107 107 HIS N N 15 119.269 0.3 . 1 . . . . A 107 HIS N . 34765 1 295 . 1 . 1 108 108 VAL H H 1 8.160 0.020 . 1 . . . . A 108 VAL H . 34765 1 296 . 1 . 1 108 108 VAL HA H 1 3.494 0.020 . 1 . . . . A 108 VAL HA . 34765 1 297 . 1 . 1 108 108 VAL HB H 1 1.976 0.020 . 1 . . . . A 108 VAL HB . 34765 1 298 . 1 . 1 108 108 VAL HG11 H 1 0.171 0.020 . 1 . . . . A 108 VAL HG11 . 34765 1 299 . 1 . 1 108 108 VAL HG12 H 1 0.171 0.020 . 1 . . . . A 108 VAL HG12 . 34765 1 300 . 1 . 1 108 108 VAL HG13 H 1 0.171 0.020 . 1 . . . . A 108 VAL HG13 . 34765 1 301 . 1 . 1 108 108 VAL HG21 H 1 1.038 0.020 . 1 . . . . A 108 VAL HG21 . 34765 1 302 . 1 . 1 108 108 VAL HG22 H 1 1.038 0.020 . 1 . . . . A 108 VAL HG22 . 34765 1 303 . 1 . 1 108 108 VAL HG23 H 1 1.038 0.020 . 1 . . . . A 108 VAL HG23 . 34765 1 304 . 1 . 1 108 108 VAL C C 13 177.588 0.3 . 1 . . . . A 108 VAL C . 34765 1 305 . 1 . 1 108 108 VAL CA C 13 66.513 0.3 . 1 . . . . A 108 VAL CA . 34765 1 306 . 1 . 1 108 108 VAL CB C 13 31.724 0.3 . 1 . . . . A 108 VAL CB . 34765 1 307 . 1 . 1 108 108 VAL CG1 C 13 21.241 0.3 . 1 . . . . A 108 VAL CG1 . 34765 1 308 . 1 . 1 108 108 VAL CG2 C 13 23.639 0.3 . 1 . . . . A 108 VAL CG2 . 34765 1 309 . 1 . 1 108 108 VAL N N 15 119.463 0.3 . 1 . . . . A 108 VAL N . 34765 1 310 . 1 . 1 109 109 MET H H 1 8.246 0.020 . 1 . . . . A 109 MET H . 34765 1 311 . 1 . 1 109 109 MET HA H 1 4.092 0.020 . 1 . . . . A 109 MET HA . 34765 1 312 . 1 . 1 109 109 MET HB2 H 1 2.093 0.020 . 1 . . . . A 109 MET HB2 . 34765 1 313 . 1 . 1 109 109 MET HG2 H 1 2.644 0.020 . 2 . . . . A 109 MET HG2 . 34765 1 314 . 1 . 1 109 109 MET HG3 H 1 2.744 0.020 . 2 . . . . A 109 MET HG3 . 34765 1 315 . 1 . 1 109 109 MET HE1 H 1 2.173 0.020 . 1 . . . . A 109 MET HE1 . 34765 1 316 . 1 . 1 109 109 MET HE2 H 1 2.173 0.020 . 1 . . . . A 109 MET HE2 . 34765 1 317 . 1 . 1 109 109 MET HE3 H 1 2.173 0.020 . 1 . . . . A 109 MET HE3 . 34765 1 318 . 1 . 1 109 109 MET C C 13 176.427 0.3 . 1 . . . . A 109 MET C . 34765 1 319 . 1 . 1 109 109 MET CA C 13 58.311 0.3 . 1 . . . . A 109 MET CA . 34765 1 320 . 1 . 1 109 109 MET CB C 13 32.764 0.3 . 1 . . . . A 109 MET CB . 34765 1 321 . 1 . 1 109 109 MET CG C 13 33.086 0.3 . 1 . . . . A 109 MET CG . 34765 1 322 . 1 . 1 109 109 MET CE C 13 17.729 0.3 . 1 . . . . A 109 MET CE . 34765 1 323 . 1 . 1 109 109 MET N N 15 115.520 0.3 . 1 . . . . A 109 MET N . 34765 1 324 . 1 . 1 110 110 THR H H 1 7.830 0.020 . 1 . . . . A 110 THR H . 34765 1 325 . 1 . 1 110 110 THR HA H 1 4.258 0.020 . 1 . . . . A 110 THR HA . 34765 1 326 . 1 . 1 110 110 THR HB H 1 4.359 0.020 . 1 . . . . A 110 THR HB . 34765 1 327 . 1 . 1 110 110 THR HG21 H 1 1.257 0.020 . 1 . . . . A 110 THR HG21 . 34765 1 328 . 1 . 1 110 110 THR HG22 H 1 1.257 0.020 . 1 . . . . A 110 THR HG22 . 34765 1 329 . 1 . 1 110 110 THR HG23 H 1 1.257 0.020 . 1 . . . . A 110 THR HG23 . 34765 1 330 . 1 . 1 110 110 THR C C 13 173.539 0.3 . 1 . . . . A 110 THR C . 34765 1 331 . 1 . 1 110 110 THR CA C 13 63.982 0.3 . 1 . . . . A 110 THR CA . 34765 1 332 . 1 . 1 110 110 THR CB C 13 69.545 0.3 . 1 . . . . A 110 THR CB . 34765 1 333 . 1 . 1 110 110 THR CG2 C 13 21.676 0.3 . 1 . . . . A 110 THR CG2 . 34765 1 334 . 1 . 1 110 110 THR N N 15 108.765 0.3 . 1 . . . . A 110 THR N . 34765 1 335 . 1 . 1 111 111 ASN H H 1 7.467 0.020 . 1 . . . . A 111 ASN H . 34765 1 336 . 1 . 1 111 111 ASN HA H 1 4.762 0.020 . 1 . . . . A 111 ASN HA . 34765 1 337 . 1 . 1 111 111 ASN HB2 H 1 2.592 0.020 . 2 . . . . A 111 ASN HB2 . 34765 1 338 . 1 . 1 111 111 ASN HB3 H 1 2.784 0.020 . 2 . . . . A 111 ASN HB3 . 34765 1 339 . 1 . 1 111 111 ASN C C 13 173.966 0.3 . 1 . . . . A 111 ASN C . 34765 1 340 . 1 . 1 111 111 ASN CA C 13 54.315 0.3 . 1 . . . . A 111 ASN CA . 34765 1 341 . 1 . 1 111 111 ASN CB C 13 39.832 0.3 . 1 . . . . A 111 ASN CB . 34765 1 342 . 1 . 1 111 111 ASN N N 15 119.027 0.3 . 1 . . . . A 111 ASN N . 34765 1 343 . 1 . 1 112 112 LEU H H 1 7.499 0.020 . 1 . . . . A 112 LEU H . 34765 1 344 . 1 . 1 112 112 LEU HA H 1 4.334 0.020 . 1 . . . . A 112 LEU HA . 34765 1 345 . 1 . 1 112 112 LEU HB2 H 1 1.648 0.020 . 2 . . . . A 112 LEU HB2 . 34765 1 346 . 1 . 1 112 112 LEU HB3 H 1 1.706 0.020 . 2 . . . . A 112 LEU HB3 . 34765 1 347 . 1 . 1 112 112 LEU HG H 1 1.298 0.020 . 1 . . . . A 112 LEU HG . 34765 1 348 . 1 . 1 112 112 LEU HD11 H 1 0.730 0.020 . 1 . . . . A 112 LEU HD11 . 34765 1 349 . 1 . 1 112 112 LEU HD12 H 1 0.730 0.020 . 1 . . . . A 112 LEU HD12 . 34765 1 350 . 1 . 1 112 112 LEU HD13 H 1 0.730 0.020 . 1 . . . . A 112 LEU HD13 . 34765 1 351 . 1 . 1 112 112 LEU HD21 H 1 0.852 0.020 . 1 . . . . A 112 LEU HD21 . 34765 1 352 . 1 . 1 112 112 LEU HD22 H 1 0.852 0.020 . 1 . . . . A 112 LEU HD22 . 34765 1 353 . 1 . 1 112 112 LEU HD23 H 1 0.852 0.020 . 1 . . . . A 112 LEU HD23 . 34765 1 354 . 1 . 1 112 112 LEU C C 13 175.845 0.3 . 1 . . . . A 112 LEU C . 34765 1 355 . 1 . 1 112 112 LEU CA C 13 55.320 0.3 . 1 . . . . A 112 LEU CA . 34765 1 356 . 1 . 1 112 112 LEU CB C 13 42.781 0.3 . 1 . . . . A 112 LEU CB . 34765 1 357 . 1 . 1 112 112 LEU CG C 13 26.416 0.3 . 1 . . . . A 112 LEU CG . 34765 1 358 . 1 . 1 112 112 LEU CD1 C 13 22.808 0.3 . 1 . . . . A 112 LEU CD1 . 34765 1 359 . 1 . 1 112 112 LEU CD2 C 13 26.449 0.3 . 1 . . . . A 112 LEU CD2 . 34765 1 360 . 1 . 1 112 112 LEU N N 15 120.215 0.3 . 1 . . . . A 112 LEU N . 34765 1 361 . 1 . 1 113 113 ARG H H 1 8.583 0.020 . 1 . . . . A 113 ARG H . 34765 1 362 . 1 . 1 113 113 ARG HA H 1 4.224 0.020 . 1 . . . . A 113 ARG HA . 34765 1 363 . 1 . 1 113 113 ARG HB2 H 1 1.833 0.020 . 1 . . . . A 113 ARG HB2 . 34765 1 364 . 1 . 1 113 113 ARG C C 13 175.612 0.3 . 1 . . . . A 113 ARG C . 34765 1 365 . 1 . 1 113 113 ARG CA C 13 57.274 0.3 . 1 . . . . A 113 ARG CA . 34765 1 366 . 1 . 1 113 113 ARG CB C 13 29.778 0.3 . 1 . . . . A 113 ARG CB . 34765 1 367 . 1 . 1 113 113 ARG CG C 13 27.200 0.3 . 1 . . . . A 113 ARG CG . 34765 1 368 . 1 . 1 113 113 ARG CD C 13 43.225 0.3 . 1 . . . . A 113 ARG CD . 34765 1 369 . 1 . 1 113 113 ARG N N 15 120.992 0.3 . 1 . . . . A 113 ARG N . 34765 1 370 . 1 . 1 114 114 GLU H H 1 8.239 0.020 . 1 . . . . A 114 GLU H . 34765 1 371 . 1 . 1 114 114 GLU HA H 1 4.307 0.020 . 1 . . . . A 114 GLU HA . 34765 1 372 . 1 . 1 114 114 GLU HB3 H 1 1.986 0.020 . 1 . . . . A 114 GLU HB3 . 34765 1 373 . 1 . 1 114 114 GLU HG2 H 1 2.221 0.020 . 2 . . . . A 114 GLU HG2 . 34765 1 374 . 1 . 1 114 114 GLU HG3 H 1 2.230 0.020 . 2 . . . . A 114 GLU HG3 . 34765 1 375 . 1 . 1 114 114 GLU C C 13 174.469 0.3 . 1 . . . . A 114 GLU C . 34765 1 376 . 1 . 1 114 114 GLU CA C 13 56.737 0.3 . 1 . . . . A 114 GLU CA . 34765 1 377 . 1 . 1 114 114 GLU CB C 13 29.286 0.3 . 1 . . . . A 114 GLU CB . 34765 1 378 . 1 . 1 114 114 GLU CG C 13 36.131 0.3 . 1 . . . . A 114 GLU CG . 34765 1 379 . 1 . 1 114 114 GLU N N 15 119.561 0.3 . 1 . . . . A 114 GLU N . 34765 1 380 . 1 . 1 115 115 LYS H H 1 8.067 0.020 . 1 . . . . A 115 LYS H . 34765 1 381 . 1 . 1 115 115 LYS HA H 1 4.202 0.020 . 1 . . . . A 115 LYS HA . 34765 1 382 . 1 . 1 115 115 LYS HB2 H 1 1.801 0.020 . 2 . . . . A 115 LYS HB2 . 34765 1 383 . 1 . 1 115 115 LYS HB3 H 1 1.873 0.020 . 2 . . . . A 115 LYS HB3 . 34765 1 384 . 1 . 1 115 115 LYS HG2 H 1 1.418 0.020 . 2 . . . . A 115 LYS HG2 . 34765 1 385 . 1 . 1 115 115 LYS HG3 H 1 1.423 0.020 . 2 . . . . A 115 LYS HG3 . 34765 1 386 . 1 . 1 115 115 LYS HD3 H 1 1.696 0.020 . 1 . . . . A 115 LYS HD3 . 34765 1 387 . 1 . 1 115 115 LYS C C 13 175.235 0.3 . 1 . . . . A 115 LYS C . 34765 1 388 . 1 . 1 115 115 LYS CA C 13 56.496 0.3 . 1 . . . . A 115 LYS CA . 34765 1 389 . 1 . 1 115 115 LYS CB C 13 32.469 0.3 . 1 . . . . A 115 LYS CB . 34765 1 390 . 1 . 1 115 115 LYS CG C 13 24.579 0.3 . 1 . . . . A 115 LYS CG . 34765 1 391 . 1 . 1 115 115 LYS CD C 13 28.837 0.3 . 1 . . . . A 115 LYS CD . 34765 1 392 . 1 . 1 115 115 LYS CE C 13 42.403 0.3 . 1 . . . . A 115 LYS CE . 34765 1 393 . 1 . 1 115 115 LYS N N 15 119.899 0.3 . 1 . . . . A 115 LYS N . 34765 1 394 . 1 . 1 116 116 LEU H H 1 7.830 0.020 . 1 . . . . A 116 LEU H . 34765 1 395 . 1 . 1 116 116 LEU HA H 1 4.623 0.020 . 1 . . . . A 116 LEU HA . 34765 1 396 . 1 . 1 116 116 LEU HB2 H 1 1.579 0.020 . 2 . . . . A 116 LEU HB2 . 34765 1 397 . 1 . 1 116 116 LEU HB3 H 1 1.588 0.020 . 2 . . . . A 116 LEU HB3 . 34765 1 398 . 1 . 1 116 116 LEU HD11 H 1 0.866 0.020 . 1 . . . . A 116 LEU HD11 . 34765 1 399 . 1 . 1 116 116 LEU HD12 H 1 0.866 0.020 . 1 . . . . A 116 LEU HD12 . 34765 1 400 . 1 . 1 116 116 LEU HD13 H 1 0.866 0.020 . 1 . . . . A 116 LEU HD13 . 34765 1 401 . 1 . 1 116 116 LEU C C 13 175.989 0.3 . 1 . . . . A 116 LEU C . 34765 1 402 . 1 . 1 116 116 LEU CA C 13 54.341 0.3 . 1 . . . . A 116 LEU CA . 34765 1 403 . 1 . 1 116 116 LEU CB C 13 43.974 0.3 . 1 . . . . A 116 LEU CB . 34765 1 404 . 1 . 1 116 116 LEU CG C 13 27.104 0.3 . 1 . . . . A 116 LEU CG . 34765 1 405 . 1 . 1 116 116 LEU CD1 C 13 23.837 0.3 . 1 . . . . A 116 LEU CD1 . 34765 1 406 . 1 . 1 116 116 LEU CD2 C 13 26.045 0.3 . 1 . . . . A 116 LEU CD2 . 34765 1 407 . 1 . 1 116 116 LEU N N 15 122.737 0.3 . 1 . . . . A 116 LEU N . 34765 1 408 . 1 . 1 117 117 THR H H 1 8.951 0.020 . 1 . . . . A 117 THR H . 34765 1 409 . 1 . 1 117 117 THR HA H 1 4.480 0.020 . 1 . . . . A 117 THR HA . 34765 1 410 . 1 . 1 117 117 THR HB H 1 4.740 0.020 . 1 . . . . A 117 THR HB . 34765 1 411 . 1 . 1 117 117 THR HG21 H 1 1.374 0.020 . 1 . . . . A 117 THR HG21 . 34765 1 412 . 1 . 1 117 117 THR HG22 H 1 1.374 0.020 . 1 . . . . A 117 THR HG22 . 34765 1 413 . 1 . 1 117 117 THR HG23 H 1 1.374 0.020 . 1 . . . . A 117 THR HG23 . 34765 1 414 . 1 . 1 117 117 THR C C 13 173.950 0.3 . 1 . . . . A 117 THR C . 34765 1 415 . 1 . 1 117 117 THR CA C 13 60.800 0.3 . 1 . . . . A 117 THR CA . 34765 1 416 . 1 . 1 117 117 THR CB C 13 71.329 0.3 . 1 . . . . A 117 THR CB . 34765 1 417 . 1 . 1 117 117 THR CG2 C 13 21.909 0.3 . 1 . . . . A 117 THR CG2 . 34765 1 418 . 1 . 1 117 117 THR N N 15 113.524 0.3 . 1 . . . . A 117 THR N . 34765 1 419 . 1 . 1 118 118 ASP H H 1 8.832 0.020 . 1 . . . . A 118 ASP H . 34765 1 420 . 1 . 1 118 118 ASP HA H 1 4.201 0.020 . 1 . . . . A 118 ASP HA . 34765 1 421 . 1 . 1 118 118 ASP HB2 H 1 2.562 0.020 . 2 . . . . A 118 ASP HB2 . 34765 1 422 . 1 . 1 118 118 ASP HB3 H 1 2.677 0.020 . 2 . . . . A 118 ASP HB3 . 34765 1 423 . 1 . 1 118 118 ASP C C 13 176.610 0.3 . 1 . . . . A 118 ASP C . 34765 1 424 . 1 . 1 118 118 ASP CA C 13 57.885 0.3 . 1 . . . . A 118 ASP CA . 34765 1 425 . 1 . 1 118 118 ASP CB C 13 40.259 0.3 . 1 . . . . A 118 ASP CB . 34765 1 426 . 1 . 1 118 118 ASP N N 15 120.989 0.3 . 1 . . . . A 118 ASP N . 34765 1 427 . 1 . 1 119 119 GLU H H 1 8.632 0.020 . 1 . . . . A 119 GLU H . 34765 1 428 . 1 . 1 119 119 GLU HA H 1 4.111 0.020 . 1 . . . . A 119 GLU HA . 34765 1 429 . 1 . 1 119 119 GLU HB2 H 1 1.962 0.020 . 2 . . . . A 119 GLU HB2 . 34765 1 430 . 1 . 1 119 119 GLU HB3 H 1 2.075 0.020 . 2 . . . . A 119 GLU HB3 . 34765 1 431 . 1 . 1 119 119 GLU HG2 H 1 2.339 0.020 . 2 . . . . A 119 GLU HG2 . 34765 1 432 . 1 . 1 119 119 GLU HG3 H 1 2.415 0.020 . 2 . . . . A 119 GLU HG3 . 34765 1 433 . 1 . 1 119 119 GLU C C 13 177.873 0.3 . 1 . . . . A 119 GLU C . 34765 1 434 . 1 . 1 119 119 GLU CA C 13 59.934 0.3 . 1 . . . . A 119 GLU CA . 34765 1 435 . 1 . 1 119 119 GLU CB C 13 29.186 0.3 . 1 . . . . A 119 GLU CB . 34765 1 436 . 1 . 1 119 119 GLU CG C 13 36.897 0.3 . 1 . . . . A 119 GLU CG . 34765 1 437 . 1 . 1 119 119 GLU N N 15 117.987 0.3 . 1 . . . . A 119 GLU N . 34765 1 438 . 1 . 1 120 120 GLU H H 1 7.806 0.020 . 1 . . . . A 120 GLU H . 34765 1 439 . 1 . 1 120 120 GLU HA H 1 4.073 0.020 . 1 . . . . A 120 GLU HA . 34765 1 440 . 1 . 1 120 120 GLU HB2 H 1 1.952 0.020 . 2 . . . . A 120 GLU HB2 . 34765 1 441 . 1 . 1 120 120 GLU HB3 H 1 2.422 0.020 . 2 . . . . A 120 GLU HB3 . 34765 1 442 . 1 . 1 120 120 GLU HG3 H 1 2.348 0.020 . 1 . . . . A 120 GLU HG3 . 34765 1 443 . 1 . 1 120 120 GLU C C 13 178.259 0.3 . 1 . . . . A 120 GLU C . 34765 1 444 . 1 . 1 120 120 GLU CA C 13 59.172 0.3 . 1 . . . . A 120 GLU CA . 34765 1 445 . 1 . 1 120 120 GLU CB C 13 30.358 0.3 . 1 . . . . A 120 GLU CB . 34765 1 446 . 1 . 1 120 120 GLU CG C 13 37.900 0.3 . 1 . . . . A 120 GLU CG . 34765 1 447 . 1 . 1 120 120 GLU N N 15 120.704 0.3 . 1 . . . . A 120 GLU N . 34765 1 448 . 1 . 1 121 121 VAL H H 1 8.224 0.020 . 1 . . . . A 121 VAL H . 34765 1 449 . 1 . 1 121 121 VAL HA H 1 3.663 0.020 . 1 . . . . A 121 VAL HA . 34765 1 450 . 1 . 1 121 121 VAL HB H 1 2.198 0.020 . 1 . . . . A 121 VAL HB . 34765 1 451 . 1 . 1 121 121 VAL HG11 H 1 0.950 0.020 . 1 . . . . A 121 VAL HG11 . 34765 1 452 . 1 . 1 121 121 VAL HG12 H 1 0.950 0.020 . 1 . . . . A 121 VAL HG12 . 34765 1 453 . 1 . 1 121 121 VAL HG13 H 1 0.950 0.020 . 1 . . . . A 121 VAL HG13 . 34765 1 454 . 1 . 1 121 121 VAL HG21 H 1 1.032 0.020 . 1 . . . . A 121 VAL HG21 . 34765 1 455 . 1 . 1 121 121 VAL HG22 H 1 1.032 0.020 . 1 . . . . A 121 VAL HG22 . 34765 1 456 . 1 . 1 121 121 VAL HG23 H 1 1.032 0.020 . 1 . . . . A 121 VAL HG23 . 34765 1 457 . 1 . 1 121 121 VAL C C 13 176.085 0.3 . 1 . . . . A 121 VAL C . 34765 1 458 . 1 . 1 121 121 VAL CA C 13 67.045 0.3 . 1 . . . . A 121 VAL CA . 34765 1 459 . 1 . 1 121 121 VAL CB C 13 31.656 0.3 . 1 . . . . A 121 VAL CB . 34765 1 460 . 1 . 1 121 121 VAL CG1 C 13 21.990 0.3 . 1 . . . . A 121 VAL CG1 . 34765 1 461 . 1 . 1 121 121 VAL CG2 C 13 24.065 0.3 . 1 . . . . A 121 VAL CG2 . 34765 1 462 . 1 . 1 121 121 VAL N N 15 120.998 0.3 . 1 . . . . A 121 VAL N . 34765 1 463 . 1 . 1 122 122 ASP H H 1 8.489 0.020 . 1 . . . . A 122 ASP H . 34765 1 464 . 1 . 1 122 122 ASP HA H 1 4.349 0.020 . 1 . . . . A 122 ASP HA . 34765 1 465 . 1 . 1 122 122 ASP HB2 H 1 2.596 0.020 . 2 . . . . A 122 ASP HB2 . 34765 1 466 . 1 . 1 122 122 ASP HB3 H 1 2.857 0.020 . 2 . . . . A 122 ASP HB3 . 34765 1 467 . 1 . 1 122 122 ASP C C 13 177.764 0.3 . 1 . . . . A 122 ASP C . 34765 1 468 . 1 . 1 122 122 ASP CA C 13 57.802 0.3 . 1 . . . . A 122 ASP CA . 34765 1 469 . 1 . 1 122 122 ASP CB C 13 40.297 0.3 . 1 . . . . A 122 ASP CB . 34765 1 470 . 1 . 1 122 122 ASP N N 15 119.625 0.3 . 1 . . . . A 122 ASP N . 34765 1 471 . 1 . 1 123 123 GLU H H 1 7.857 0.020 . 1 . . . . A 123 GLU H . 34765 1 472 . 1 . 1 123 123 GLU HA H 1 4.077 0.020 . 1 . . . . A 123 GLU HA . 34765 1 473 . 1 . 1 123 123 GLU HB2 H 1 2.106 0.020 . 2 . . . . A 123 GLU HB2 . 34765 1 474 . 1 . 1 123 123 GLU HB3 H 1 2.168 0.020 . 2 . . . . A 123 GLU HB3 . 34765 1 475 . 1 . 1 123 123 GLU HG2 H 1 2.333 0.020 . 2 . . . . A 123 GLU HG2 . 34765 1 476 . 1 . 1 123 123 GLU HG3 H 1 2.374 0.020 . 2 . . . . A 123 GLU HG3 . 34765 1 477 . 1 . 1 123 123 GLU C C 13 176.758 0.3 . 1 . . . . A 123 GLU C . 34765 1 478 . 1 . 1 123 123 GLU CA C 13 59.122 0.3 . 1 . . . . A 123 GLU CA . 34765 1 479 . 1 . 1 123 123 GLU CB C 13 29.485 0.3 . 1 . . . . A 123 GLU CB . 34765 1 480 . 1 . 1 123 123 GLU CG C 13 35.989 0.3 . 1 . . . . A 123 GLU CG . 34765 1 481 . 1 . 1 123 123 GLU N N 15 119.437 0.3 . 1 . . . . A 123 GLU N . 34765 1 482 . 1 . 1 124 124 MET H H 1 7.860 0.020 . 1 . . . . A 124 MET H . 34765 1 483 . 1 . 1 124 124 MET HA H 1 4.146 0.020 . 1 . . . . A 124 MET HA . 34765 1 484 . 1 . 1 124 124 MET HB2 H 1 2.144 0.020 . 2 . . . . A 124 MET HB2 . 34765 1 485 . 1 . 1 124 124 MET HB3 H 1 2.374 0.020 . 2 . . . . A 124 MET HB3 . 34765 1 486 . 1 . 1 124 124 MET HG2 H 1 2.556 0.020 . 2 . . . . A 124 MET HG2 . 34765 1 487 . 1 . 1 124 124 MET HG3 H 1 2.848 0.020 . 2 . . . . A 124 MET HG3 . 34765 1 488 . 1 . 1 124 124 MET HE1 H 1 2.021 0.020 . 1 . . . . A 124 MET HE1 . 34765 1 489 . 1 . 1 124 124 MET HE2 H 1 2.021 0.020 . 1 . . . . A 124 MET HE2 . 34765 1 490 . 1 . 1 124 124 MET HE3 H 1 2.021 0.020 . 1 . . . . A 124 MET HE3 . 34765 1 491 . 1 . 1 124 124 MET C C 13 177.424 0.3 . 1 . . . . A 124 MET C . 34765 1 492 . 1 . 1 124 124 MET CA C 13 59.293 0.3 . 1 . . . . A 124 MET CA . 34765 1 493 . 1 . 1 124 124 MET CB C 13 33.850 0.3 . 1 . . . . A 124 MET CB . 34765 1 494 . 1 . 1 124 124 MET CG C 13 32.719 0.3 . 1 . . . . A 124 MET CG . 34765 1 495 . 1 . 1 124 124 MET CE C 13 17.623 0.3 . 1 . . . . A 124 MET CE . 34765 1 496 . 1 . 1 124 124 MET N N 15 118.867 0.3 . 1 . . . . A 124 MET N . 34765 1 497 . 1 . 1 125 125 ILE H H 1 8.341 0.020 . 1 . . . . A 125 ILE H . 34765 1 498 . 1 . 1 125 125 ILE HA H 1 3.788 0.020 . 1 . . . . A 125 ILE HA . 34765 1 499 . 1 . 1 125 125 ILE HB H 1 1.960 0.020 . 1 . . . . A 125 ILE HB . 34765 1 500 . 1 . 1 125 125 ILE HG12 H 1 0.957 0.020 . 2 . . . . A 125 ILE HG12 . 34765 1 501 . 1 . 1 125 125 ILE HG13 H 1 1.829 0.020 . 2 . . . . A 125 ILE HG13 . 34765 1 502 . 1 . 1 125 125 ILE HG21 H 1 0.874 0.020 . 1 . . . . A 125 ILE HG21 . 34765 1 503 . 1 . 1 125 125 ILE HG22 H 1 0.874 0.020 . 1 . . . . A 125 ILE HG22 . 34765 1 504 . 1 . 1 125 125 ILE HG23 H 1 0.874 0.020 . 1 . . . . A 125 ILE HG23 . 34765 1 505 . 1 . 1 125 125 ILE HD11 H 1 0.772 0.020 . 1 . . . . A 125 ILE HD11 . 34765 1 506 . 1 . 1 125 125 ILE HD12 H 1 0.772 0.020 . 1 . . . . A 125 ILE HD12 . 34765 1 507 . 1 . 1 125 125 ILE HD13 H 1 0.772 0.020 . 1 . . . . A 125 ILE HD13 . 34765 1 508 . 1 . 1 125 125 ILE C C 13 176.312 0.3 . 1 . . . . A 125 ILE C . 34765 1 509 . 1 . 1 125 125 ILE CA C 13 65.268 0.3 . 1 . . . . A 125 ILE CA . 34765 1 510 . 1 . 1 125 125 ILE CB C 13 37.911 0.3 . 1 . . . . A 125 ILE CB . 34765 1 511 . 1 . 1 125 125 ILE CG1 C 13 29.723 0.3 . 1 . . . . A 125 ILE CG1 . 34765 1 512 . 1 . 1 125 125 ILE CG2 C 13 17.215 0.3 . 1 . . . . A 125 ILE CG2 . 34765 1 513 . 1 . 1 125 125 ILE CD1 C 13 13.700 0.3 . 1 . . . . A 125 ILE CD1 . 34765 1 514 . 1 . 1 125 125 ILE N N 15 118.359 0.3 . 1 . . . . A 125 ILE N . 34765 1 515 . 1 . 1 126 126 ARG H H 1 7.982 0.020 . 1 . . . . A 126 ARG H . 34765 1 516 . 1 . 1 126 126 ARG HA H 1 4.147 0.020 . 1 . . . . A 126 ARG HA . 34765 1 517 . 1 . 1 126 126 ARG HB3 H 1 1.983 0.020 . 1 . . . . A 126 ARG HB3 . 34765 1 518 . 1 . 1 126 126 ARG HG2 H 1 1.669 0.020 . 2 . . . . A 126 ARG HG2 . 34765 1 519 . 1 . 1 126 126 ARG HG3 H 1 1.814 0.020 . 2 . . . . A 126 ARG HG3 . 34765 1 520 . 1 . 1 126 126 ARG HD2 H 1 3.271 0.020 . 1 . . . . A 126 ARG HD2 . 34765 1 521 . 1 . 1 126 126 ARG HD3 H 1 3.271 0.020 . 1 . . . . A 126 ARG HD3 . 34765 1 522 . 1 . 1 126 126 ARG HE H 1 7.815 0.020 . 1 . . . . A 126 ARG HE . 34765 1 523 . 1 . 1 126 126 ARG C C 13 177.393 0.3 . 1 . . . . A 126 ARG C . 34765 1 524 . 1 . 1 126 126 ARG CA C 13 59.211 0.3 . 1 . . . . A 126 ARG CA . 34765 1 525 . 1 . 1 126 126 ARG CB C 13 30.322 0.3 . 1 . . . . A 126 ARG CB . 34765 1 526 . 1 . 1 126 126 ARG CG C 13 27.712 0.3 . 1 . . . . A 126 ARG CG . 34765 1 527 . 1 . 1 126 126 ARG CD C 13 43.540 0.3 . 1 . . . . A 126 ARG CD . 34765 1 528 . 1 . 1 126 126 ARG N N 15 119.956 0.3 . 1 . . . . A 126 ARG N . 34765 1 529 . 1 . 1 127 127 GLU H H 1 7.866 0.020 . 1 . . . . A 127 GLU H . 34765 1 530 . 1 . 1 127 127 GLU HA H 1 4.224 0.020 . 1 . . . . A 127 GLU HA . 34765 1 531 . 1 . 1 127 127 GLU HB2 H 1 2.008 0.020 . 2 . . . . A 127 GLU HB2 . 34765 1 532 . 1 . 1 127 127 GLU HB3 H 1 2.170 0.020 . 2 . . . . A 127 GLU HB3 . 34765 1 533 . 1 . 1 127 127 GLU HG2 H 1 2.327 0.020 . 1 . . . . A 127 GLU HG2 . 34765 1 534 . 1 . 1 127 127 GLU C C 13 175.325 0.3 . 1 . . . . A 127 GLU C . 34765 1 535 . 1 . 1 127 127 GLU CA C 13 57.281 0.3 . 1 . . . . A 127 GLU CA . 34765 1 536 . 1 . 1 127 127 GLU CB C 13 29.675 0.3 . 1 . . . . A 127 GLU CB . 34765 1 537 . 1 . 1 127 127 GLU CG C 13 36.171 0.3 . 1 . . . . A 127 GLU CG . 34765 1 538 . 1 . 1 127 127 GLU N N 15 117.268 0.3 . 1 . . . . A 127 GLU N . 34765 1 539 . 1 . 1 128 128 ALA H H 1 7.621 0.020 . 1 . . . . A 128 ALA H . 34765 1 540 . 1 . 1 128 128 ALA HA H 1 4.356 0.020 . 1 . . . . A 128 ALA HA . 34765 1 541 . 1 . 1 128 128 ALA HB1 H 1 1.548 0.020 . 1 . . . . A 128 ALA HB1 . 34765 1 542 . 1 . 1 128 128 ALA HB2 H 1 1.548 0.020 . 1 . . . . A 128 ALA HB2 . 34765 1 543 . 1 . 1 128 128 ALA HB3 H 1 1.548 0.020 . 1 . . . . A 128 ALA HB3 . 34765 1 544 . 1 . 1 128 128 ALA C C 13 175.393 0.3 . 1 . . . . A 128 ALA C . 34765 1 545 . 1 . 1 128 128 ALA CA C 13 52.416 0.3 . 1 . . . . A 128 ALA CA . 34765 1 546 . 1 . 1 128 128 ALA CB C 13 19.814 0.3 . 1 . . . . A 128 ALA CB . 34765 1 547 . 1 . 1 128 128 ALA N N 15 121.638 0.3 . 1 . . . . A 128 ALA N . 34765 1 548 . 1 . 1 129 129 ASP H H 1 8.420 0.020 . 1 . . . . A 129 ASP H . 34765 1 549 . 1 . 1 129 129 ASP HA H 1 4.658 0.020 . 1 . . . . A 129 ASP HA . 34765 1 550 . 1 . 1 129 129 ASP HB2 H 1 2.541 0.020 . 2 . . . . A 129 ASP HB2 . 34765 1 551 . 1 . 1 129 129 ASP HB3 H 1 2.947 0.020 . 2 . . . . A 129 ASP HB3 . 34765 1 552 . 1 . 1 129 129 ASP C C 13 173.912 0.3 . 1 . . . . A 129 ASP C . 34765 1 553 . 1 . 1 129 129 ASP CA C 13 54.236 0.3 . 1 . . . . A 129 ASP CA . 34765 1 554 . 1 . 1 129 129 ASP CB C 13 40.175 0.3 . 1 . . . . A 129 ASP CB . 34765 1 555 . 1 . 1 129 129 ASP N N 15 119.775 0.3 . 1 . . . . A 129 ASP N . 34765 1 556 . 1 . 1 130 130 ILE H H 1 7.825 0.020 . 1 . . . . A 130 ILE H . 34765 1 557 . 1 . 1 130 130 ILE HA H 1 4.489 0.020 . 1 . . . . A 130 ILE HA . 34765 1 558 . 1 . 1 130 130 ILE HB H 1 1.863 0.020 . 1 . . . . A 130 ILE HB . 34765 1 559 . 1 . 1 130 130 ILE HG12 H 1 1.159 0.020 . 2 . . . . A 130 ILE HG12 . 34765 1 560 . 1 . 1 130 130 ILE HG13 H 1 1.523 0.020 . 2 . . . . A 130 ILE HG13 . 34765 1 561 . 1 . 1 130 130 ILE HG21 H 1 0.965 0.020 . 1 . . . . A 130 ILE HG21 . 34765 1 562 . 1 . 1 130 130 ILE HG22 H 1 0.965 0.020 . 1 . . . . A 130 ILE HG22 . 34765 1 563 . 1 . 1 130 130 ILE HG23 H 1 0.965 0.020 . 1 . . . . A 130 ILE HG23 . 34765 1 564 . 1 . 1 130 130 ILE HD11 H 1 0.880 0.020 . 1 . . . . A 130 ILE HD11 . 34765 1 565 . 1 . 1 130 130 ILE HD12 H 1 0.880 0.020 . 1 . . . . A 130 ILE HD12 . 34765 1 566 . 1 . 1 130 130 ILE HD13 H 1 0.880 0.020 . 1 . . . . A 130 ILE HD13 . 34765 1 567 . 1 . 1 130 130 ILE C C 13 175.151 0.3 . 1 . . . . A 130 ILE C . 34765 1 568 . 1 . 1 130 130 ILE CA C 13 60.727 0.3 . 1 . . . . A 130 ILE CA . 34765 1 569 . 1 . 1 130 130 ILE CB C 13 39.319 0.3 . 1 . . . . A 130 ILE CB . 34765 1 570 . 1 . 1 130 130 ILE CG1 C 13 27.248 0.3 . 1 . . . . A 130 ILE CG1 . 34765 1 571 . 1 . 1 130 130 ILE CG2 C 13 17.546 0.3 . 1 . . . . A 130 ILE CG2 . 34765 1 572 . 1 . 1 130 130 ILE CD1 C 13 13.577 0.3 . 1 . . . . A 130 ILE CD1 . 34765 1 573 . 1 . 1 130 130 ILE N N 15 121.062 0.3 . 1 . . . . A 130 ILE N . 34765 1 574 . 1 . 1 131 131 ASP H H 1 8.642 0.020 . 1 . . . . A 131 ASP H . 34765 1 575 . 1 . 1 131 131 ASP HA H 1 4.698 0.020 . 1 . . . . A 131 ASP HA . 34765 1 576 . 1 . 1 131 131 ASP HB2 H 1 2.601 0.020 . 2 . . . . A 131 ASP HB2 . 34765 1 577 . 1 . 1 131 131 ASP HB3 H 1 2.836 0.020 . 2 . . . . A 131 ASP HB3 . 34765 1 578 . 1 . 1 131 131 ASP C C 13 176.375 0.3 . 1 . . . . A 131 ASP C . 34765 1 579 . 1 . 1 131 131 ASP CA C 13 53.708 0.3 . 1 . . . . A 131 ASP CA . 34765 1 580 . 1 . 1 131 131 ASP CB C 13 41.315 0.3 . 1 . . . . A 131 ASP CB . 34765 1 581 . 1 . 1 131 131 ASP N N 15 124.828 0.3 . 1 . . . . A 131 ASP N . 34765 1 582 . 1 . 1 132 132 GLY H H 1 8.427 0.020 . 1 . . . . A 132 GLY H . 34765 1 583 . 1 . 1 132 132 GLY HA2 H 1 3.890 0.020 . 1 . . . . A 132 GLY HA2 . 34765 1 584 . 1 . 1 132 132 GLY HA3 H 1 3.890 0.020 . 1 . . . . A 132 GLY HA3 . 34765 1 585 . 1 . 1 132 132 GLY C C 13 173.033 0.3 . 1 . . . . A 132 GLY C . 34765 1 586 . 1 . 1 132 132 GLY CA C 13 46.426 0.3 . 1 . . . . A 132 GLY CA . 34765 1 587 . 1 . 1 132 132 GLY N N 15 108.200 0.3 . 1 . . . . A 132 GLY N . 34765 1 588 . 1 . 1 133 133 ASP H H 1 8.308 0.020 . 1 . . . . A 133 ASP H . 34765 1 589 . 1 . 1 133 133 ASP HA H 1 4.837 0.020 . 1 . . . . A 133 ASP HA . 34765 1 590 . 1 . 1 133 133 ASP HB2 H 1 2.654 0.020 . 2 . . . . A 133 ASP HB2 . 34765 1 591 . 1 . 1 133 133 ASP HB3 H 1 2.792 0.020 . 2 . . . . A 133 ASP HB3 . 34765 1 592 . 1 . 1 133 133 ASP C C 13 175.380 0.3 . 1 . . . . A 133 ASP C . 34765 1 593 . 1 . 1 133 133 ASP CA C 13 53.863 0.3 . 1 . . . . A 133 ASP CA . 34765 1 594 . 1 . 1 133 133 ASP CB C 13 41.555 0.3 . 1 . . . . A 133 ASP CB . 34765 1 595 . 1 . 1 133 133 ASP N N 15 119.607 0.3 . 1 . . . . A 133 ASP N . 34765 1 596 . 1 . 1 134 134 GLY H H 1 8.498 0.020 . 1 . . . . A 134 GLY H . 34765 1 597 . 1 . 1 134 134 GLY HA2 H 1 3.871 0.020 . 2 . . . . A 134 GLY HA2 . 34765 1 598 . 1 . 1 134 134 GLY HA3 H 1 4.078 0.020 . 2 . . . . A 134 GLY HA3 . 34765 1 599 . 1 . 1 134 134 GLY C C 13 172.425 0.3 . 1 . . . . A 134 GLY C . 34765 1 600 . 1 . 1 134 134 GLY CA C 13 45.751 0.3 . 1 . . . . A 134 GLY CA . 34765 1 601 . 1 . 1 134 134 GLY N N 15 109.719 0.3 . 1 . . . . A 134 GLY N . 34765 1 602 . 1 . 1 135 135 GLN H H 1 8.361 0.020 . 1 . . . . A 135 GLN H . 34765 1 603 . 1 . 1 135 135 GLN HA H 1 4.750 0.020 . 1 . . . . A 135 GLN HA . 34765 1 604 . 1 . 1 135 135 GLN HB2 H 1 1.939 0.020 . 2 . . . . A 135 GLN HB2 . 34765 1 605 . 1 . 1 135 135 GLN HB3 H 1 2.126 0.020 . 2 . . . . A 135 GLN HB3 . 34765 1 606 . 1 . 1 135 135 GLN HG2 H 1 2.008 0.020 . 2 . . . . A 135 GLN HG2 . 34765 1 607 . 1 . 1 135 135 GLN HG3 H 1 2.273 0.020 . 2 . . . . A 135 GLN HG3 . 34765 1 608 . 1 . 1 135 135 GLN HE21 H 1 6.786 0.020 . 1 . . . . A 135 GLN HE21 . 34765 1 609 . 1 . 1 135 135 GLN HE22 H 1 6.842 0.020 . 1 . . . . A 135 GLN HE22 . 34765 1 610 . 1 . 1 135 135 GLN C C 13 173.724 0.3 . 1 . . . . A 135 GLN C . 34765 1 611 . 1 . 1 135 135 GLN CA C 13 54.944 0.3 . 1 . . . . A 135 GLN CA . 34765 1 612 . 1 . 1 135 135 GLN CB C 13 30.860 0.3 . 1 . . . . A 135 GLN CB . 34765 1 613 . 1 . 1 135 135 GLN CG C 13 34.158 0.3 . 1 . . . . A 135 GLN CG . 34765 1 614 . 1 . 1 135 135 GLN N N 15 119.609 0.3 . 1 . . . . A 135 GLN N . 34765 1 615 . 1 . 1 135 135 GLN NE2 N 15 111.568 0.3 . 1 . . . . A 135 GLN NE2 . 34765 1 616 . 1 . 1 136 136 VAL H H 1 9.500 0.020 . 1 . . . . A 136 VAL H . 34765 1 617 . 1 . 1 136 136 VAL HA H 1 4.563 0.020 . 1 . . . . A 136 VAL HA . 34765 1 618 . 1 . 1 136 136 VAL HB H 1 1.898 0.020 . 1 . . . . A 136 VAL HB . 34765 1 619 . 1 . 1 136 136 VAL HG11 H 1 1.304 0.020 . 1 . . . . A 136 VAL HG11 . 34765 1 620 . 1 . 1 136 136 VAL HG12 H 1 1.304 0.020 . 1 . . . . A 136 VAL HG12 . 34765 1 621 . 1 . 1 136 136 VAL HG13 H 1 1.304 0.020 . 1 . . . . A 136 VAL HG13 . 34765 1 622 . 1 . 1 136 136 VAL HG21 H 1 0.824 0.020 . 1 . . . . A 136 VAL HG21 . 34765 1 623 . 1 . 1 136 136 VAL HG22 H 1 0.824 0.020 . 1 . . . . A 136 VAL HG22 . 34765 1 624 . 1 . 1 136 136 VAL HG23 H 1 0.824 0.020 . 1 . . . . A 136 VAL HG23 . 34765 1 625 . 1 . 1 136 136 VAL C C 13 172.804 0.3 . 1 . . . . A 136 VAL C . 34765 1 626 . 1 . 1 136 136 VAL CA C 13 60.561 0.3 . 1 . . . . A 136 VAL CA . 34765 1 627 . 1 . 1 136 136 VAL CB C 13 35.113 0.3 . 1 . . . . A 136 VAL CB . 34765 1 628 . 1 . 1 136 136 VAL CG1 C 13 21.704 0.3 . 1 . . . . A 136 VAL CG1 . 34765 1 629 . 1 . 1 136 136 VAL CG2 C 13 20.961 0.3 . 1 . . . . A 136 VAL CG2 . 34765 1 630 . 1 . 1 136 136 VAL N N 15 119.621 0.3 . 1 . . . . A 136 VAL N . 34765 1 631 . 1 . 1 137 137 ASN H H 1 8.865 0.020 . 1 . . . . A 137 ASN H . 34765 1 632 . 1 . 1 137 137 ASN HA H 1 4.424 0.020 . 1 . . . . A 137 ASN HA . 34765 1 633 . 1 . 1 137 137 ASN HB2 H 1 2.340 0.020 . 2 . . . . A 137 ASN HB2 . 34765 1 634 . 1 . 1 137 137 ASN HB3 H 1 2.918 0.020 . 2 . . . . A 137 ASN HB3 . 34765 1 635 . 1 . 1 137 137 ASN HD21 H 1 8.155 0.020 . 1 . . . . A 137 ASN HD21 . 34765 1 636 . 1 . 1 137 137 ASN C C 13 174.510 0.3 . 1 . . . . A 137 ASN C . 34765 1 637 . 1 . 1 137 137 ASN CA C 13 52.096 0.3 . 1 . . . . A 137 ASN CA . 34765 1 638 . 1 . 1 137 137 ASN CB C 13 38.250 0.3 . 1 . . . . A 137 ASN CB . 34765 1 639 . 1 . 1 137 137 ASN N N 15 125.375 0.3 . 1 . . . . A 137 ASN N . 34765 1 640 . 1 . 1 137 137 ASN ND2 N 15 119.555 0.3 . 1 . . . . A 137 ASN ND2 . 34765 1 641 . 1 . 1 138 138 TYR H H 1 7.502 0.020 . 1 . . . . A 138 TYR H . 34765 1 642 . 1 . 1 138 138 TYR HA H 1 4.186 0.020 . 1 . . . . A 138 TYR HA . 34765 1 643 . 1 . 1 138 138 TYR HB2 H 1 2.400 0.020 . 2 . . . . A 138 TYR HB2 . 34765 1 644 . 1 . 1 138 138 TYR HB3 H 1 2.113 0.020 . 2 . . . . A 138 TYR HB3 . 34765 1 645 . 1 . 1 138 138 TYR HD1 H 1 6.674 0.020 . 1 . . . . A 138 TYR HD1 . 34765 1 646 . 1 . 1 138 138 TYR HE1 H 1 6.727 0.020 . 1 . . . . A 138 TYR HE1 . 34765 1 647 . 1 . 1 138 138 TYR C C 13 175.365 0.3 . 1 . . . . A 138 TYR C . 34765 1 648 . 1 . 1 138 138 TYR CA C 13 59.259 0.3 . 1 . . . . A 138 TYR CA . 34765 1 649 . 1 . 1 138 138 TYR CB C 13 37.115 0.3 . 1 . . . . A 138 TYR CB . 34765 1 650 . 1 . 1 138 138 TYR CD1 C 13 133.740 0.3 . 1 . . . . A 138 TYR CD1 . 34765 1 651 . 1 . 1 138 138 TYR CE1 C 13 117.585 0.3 . 1 . . . . A 138 TYR CE1 . 34765 1 652 . 1 . 1 138 138 TYR N N 15 122.924 0.3 . 1 . . . . A 138 TYR N . 34765 1 653 . 1 . 1 139 139 GLU H H 1 8.199 0.020 . 1 . . . . A 139 GLU H . 34765 1 654 . 1 . 1 139 139 GLU HA H 1 4.074 0.020 . 1 . . . . A 139 GLU HA . 34765 1 655 . 1 . 1 139 139 GLU HB2 H 1 1.814 0.020 . 2 . . . . A 139 GLU HB2 . 34765 1 656 . 1 . 1 139 139 GLU HB3 H 1 1.945 0.020 . 2 . . . . A 139 GLU HB3 . 34765 1 657 . 1 . 1 139 139 GLU HG2 H 1 2.168 0.020 . 2 . . . . A 139 GLU HG2 . 34765 1 658 . 1 . 1 139 139 GLU HG3 H 1 2.166 0.020 . 2 . . . . A 139 GLU HG3 . 34765 1 659 . 1 . 1 139 139 GLU C C 13 177.471 0.3 . 1 . . . . A 139 GLU C . 34765 1 660 . 1 . 1 139 139 GLU CA C 13 59.373 0.3 . 1 . . . . A 139 GLU CA . 34765 1 661 . 1 . 1 139 139 GLU CB C 13 28.213 0.3 . 1 . . . . A 139 GLU CB . 34765 1 662 . 1 . 1 139 139 GLU CG C 13 35.153 0.3 . 1 . . . . A 139 GLU CG . 34765 1 663 . 1 . 1 139 139 GLU N N 15 126.367 0.3 . 1 . . . . A 139 GLU N . 34765 1 664 . 1 . 1 140 140 GLU H H 1 7.734 0.020 . 1 . . . . A 140 GLU H . 34765 1 665 . 1 . 1 140 140 GLU HA H 1 3.962 0.020 . 1 . . . . A 140 GLU HA . 34765 1 666 . 1 . 1 140 140 GLU HB2 H 1 1.870 0.020 . 2 . . . . A 140 GLU HB2 . 34765 1 667 . 1 . 1 140 140 GLU HB3 H 1 1.918 0.020 . 2 . . . . A 140 GLU HB3 . 34765 1 668 . 1 . 1 140 140 GLU HG2 H 1 2.109 0.020 . 1 . . . . A 140 GLU HG2 . 34765 1 669 . 1 . 1 140 140 GLU CA C 13 58.802 0.3 . 1 . . . . A 140 GLU CA . 34765 1 670 . 1 . 1 140 140 GLU CB C 13 29.425 0.3 . 1 . . . . A 140 GLU CB . 34765 1 671 . 1 . 1 140 140 GLU CG C 13 36.194 0.3 . 1 . . . . A 140 GLU CG . 34765 1 672 . 1 . 1 140 140 GLU N N 15 117.450 0.3 . 1 . . . . A 140 GLU N . 34765 1 673 . 1 . 1 141 141 PHE H H 1 7.569 0.020 . 1 . . . . A 141 PHE H . 34765 1 674 . 1 . 1 141 141 PHE HA H 1 4.186 0.020 . 1 . . . . A 141 PHE HA . 34765 1 675 . 1 . 1 141 141 PHE HB2 H 1 3.027 0.020 . 2 . . . . A 141 PHE HB2 . 34765 1 676 . 1 . 1 141 141 PHE HB3 H 1 3.132 0.020 . 2 . . . . A 141 PHE HB3 . 34765 1 677 . 1 . 1 141 141 PHE HD1 H 1 7.168 0.020 . 1 . . . . A 141 PHE HD1 . 34765 1 678 . 1 . 1 141 141 PHE C C 13 175.868 0.3 . 1 . . . . A 141 PHE C . 34765 1 679 . 1 . 1 141 141 PHE CA C 13 61.552 0.3 . 1 . . . . A 141 PHE CA . 34765 1 680 . 1 . 1 141 141 PHE CB C 13 39.303 0.3 . 1 . . . . A 141 PHE CB . 34765 1 681 . 1 . 1 141 141 PHE CD1 C 13 132.657 0.3 . 1 . . . . A 141 PHE CD1 . 34765 1 682 . 1 . 1 141 141 PHE CE1 C 13 131.844 0.3 . 1 . . . . A 141 PHE CE1 . 34765 1 683 . 1 . 1 141 141 PHE N N 15 119.297 0.3 . 1 . . . . A 141 PHE N . 34765 1 684 . 1 . 1 142 142 VAL H H 1 8.245 0.020 . 1 . . . . A 142 VAL H . 34765 1 685 . 1 . 1 142 142 VAL HA H 1 3.585 0.020 . 1 . . . . A 142 VAL HA . 34765 1 686 . 1 . 1 142 142 VAL HB H 1 2.435 0.020 . 1 . . . . A 142 VAL HB . 34765 1 687 . 1 . 1 142 142 VAL HG11 H 1 1.011 0.020 . 1 . . . . A 142 VAL HG11 . 34765 1 688 . 1 . 1 142 142 VAL HG12 H 1 1.011 0.020 . 1 . . . . A 142 VAL HG12 . 34765 1 689 . 1 . 1 142 142 VAL HG13 H 1 1.011 0.020 . 1 . . . . A 142 VAL HG13 . 34765 1 690 . 1 . 1 142 142 VAL HG21 H 1 1.217 0.020 . 1 . . . . A 142 VAL HG21 . 34765 1 691 . 1 . 1 142 142 VAL HG22 H 1 1.217 0.020 . 1 . . . . A 142 VAL HG22 . 34765 1 692 . 1 . 1 142 142 VAL HG23 H 1 1.217 0.020 . 1 . . . . A 142 VAL HG23 . 34765 1 693 . 1 . 1 142 142 VAL C C 13 177.340 0.3 . 1 . . . . A 142 VAL C . 34765 1 694 . 1 . 1 142 142 VAL CA C 13 67.152 0.3 . 1 . . . . A 142 VAL CA . 34765 1 695 . 1 . 1 142 142 VAL CB C 13 31.605 0.3 . 1 . . . . A 142 VAL CB . 34765 1 696 . 1 . 1 142 142 VAL CG1 C 13 21.816 0.3 . 1 . . . . A 142 VAL CG1 . 34765 1 697 . 1 . 1 142 142 VAL CG2 C 13 23.442 0.3 . 1 . . . . A 142 VAL CG2 . 34765 1 698 . 1 . 1 142 142 VAL N N 15 120.359 0.3 . 1 . . . . A 142 VAL N . 34765 1 699 . 1 . 1 143 143 GLN H H 1 7.884 0.020 . 1 . . . . A 143 GLN H . 34765 1 700 . 1 . 1 143 143 GLN HA H 1 3.958 0.020 . 1 . . . . A 143 GLN HA . 34765 1 701 . 1 . 1 143 143 GLN HB2 H 1 2.076 0.020 . 2 . . . . A 143 GLN HB2 . 34765 1 702 . 1 . 1 143 143 GLN HB3 H 1 2.151 0.020 . 2 . . . . A 143 GLN HB3 . 34765 1 703 . 1 . 1 143 143 GLN HG3 H 1 2.487 0.020 . 1 . . . . A 143 GLN HG3 . 34765 1 704 . 1 . 1 143 143 GLN HE21 H 1 6.900 0.020 . 1 . . . . A 143 GLN HE21 . 34765 1 705 . 1 . 1 143 143 GLN HE22 H 1 7.661 0.020 . 1 . . . . A 143 GLN HE22 . 34765 1 706 . 1 . 1 143 143 GLN C C 13 176.960 0.3 . 1 . . . . A 143 GLN C . 34765 1 707 . 1 . 1 143 143 GLN CA C 13 58.603 0.3 . 1 . . . . A 143 GLN CA . 34765 1 708 . 1 . 1 143 143 GLN CB C 13 27.860 0.3 . 1 . . . . A 143 GLN CB . 34765 1 709 . 1 . 1 143 143 GLN CG C 13 33.649 0.3 . 1 . . . . A 143 GLN CG . 34765 1 710 . 1 . 1 143 143 GLN N N 15 117.269 0.3 . 1 . . . . A 143 GLN N . 34765 1 711 . 1 . 1 143 143 GLN NE2 N 15 113.341 0.3 . 1 . . . . A 143 GLN NE2 . 34765 1 712 . 1 . 1 144 144 MET H H 1 7.778 0.020 . 1 . . . . A 144 MET H . 34765 1 713 . 1 . 1 144 144 MET HA H 1 4.152 0.020 . 1 . . . . A 144 MET HA . 34765 1 714 . 1 . 1 144 144 MET HB2 H 1 2.138 0.020 . 2 . . . . A 144 MET HB2 . 34765 1 715 . 1 . 1 144 144 MET HB3 H 1 2.071 0.020 . 2 . . . . A 144 MET HB3 . 34765 1 716 . 1 . 1 144 144 MET HG2 H 1 2.504 0.020 . 2 . . . . A 144 MET HG2 . 34765 1 717 . 1 . 1 144 144 MET HG3 H 1 2.675 0.020 . 2 . . . . A 144 MET HG3 . 34765 1 718 . 1 . 1 144 144 MET HE1 H 1 1.854 0.020 . 1 . . . . A 144 MET HE1 . 34765 1 719 . 1 . 1 144 144 MET HE2 H 1 1.854 0.020 . 1 . . . . A 144 MET HE2 . 34765 1 720 . 1 . 1 144 144 MET HE3 H 1 1.854 0.020 . 1 . . . . A 144 MET HE3 . 34765 1 721 . 1 . 1 144 144 MET C C 13 176.941 0.3 . 1 . . . . A 144 MET C . 34765 1 722 . 1 . 1 144 144 MET CA C 13 58.674 0.3 . 1 . . . . A 144 MET CA . 34765 1 723 . 1 . 1 144 144 MET CB C 13 33.448 0.3 . 1 . . . . A 144 MET CB . 34765 1 724 . 1 . 1 144 144 MET CG C 13 31.735 0.3 . 1 . . . . A 144 MET CG . 34765 1 725 . 1 . 1 144 144 MET CE C 13 16.881 0.3 . 1 . . . . A 144 MET CE . 34765 1 726 . 1 . 1 144 144 MET N N 15 118.395 0.3 . 1 . . . . A 144 MET N . 34765 1 727 . 1 . 1 145 145 MET H H 1 7.994 0.020 . 1 . . . . A 145 MET H . 34765 1 728 . 1 . 1 145 145 MET HA H 1 4.303 0.020 . 1 . . . . A 145 MET HA . 34765 1 729 . 1 . 1 145 145 MET HB2 H 1 2.177 0.020 . 1 . . . . A 145 MET HB2 . 34765 1 730 . 1 . 1 145 145 MET HG2 H 1 2.551 0.020 . 2 . . . . A 145 MET HG2 . 34765 1 731 . 1 . 1 145 145 MET HG3 H 1 2.668 0.020 . 2 . . . . A 145 MET HG3 . 34765 1 732 . 1 . 1 145 145 MET HE1 H 1 2.102 0.020 . 1 . . . . A 145 MET HE1 . 34765 1 733 . 1 . 1 145 145 MET HE2 H 1 2.102 0.020 . 1 . . . . A 145 MET HE2 . 34765 1 734 . 1 . 1 145 145 MET HE3 H 1 2.102 0.020 . 1 . . . . A 145 MET HE3 . 34765 1 735 . 1 . 1 145 145 MET C C 13 175.923 0.3 . 1 . . . . A 145 MET C . 34765 1 736 . 1 . 1 145 145 MET CA C 13 57.205 0.3 . 1 . . . . A 145 MET CA . 34765 1 737 . 1 . 1 145 145 MET CB C 13 33.403 0.3 . 1 . . . . A 145 MET CB . 34765 1 738 . 1 . 1 145 145 MET CG C 13 32.760 0.3 . 1 . . . . A 145 MET CG . 34765 1 739 . 1 . 1 145 145 MET CE C 13 17.450 0.3 . 1 . . . . A 145 MET CE . 34765 1 740 . 1 . 1 145 145 MET N N 15 116.149 0.3 . 1 . . . . A 145 MET N . 34765 1 741 . 1 . 1 146 146 THR H H 1 7.690 0.020 . 1 . . . . A 146 THR H . 34765 1 742 . 1 . 1 146 146 THR HA H 1 4.342 0.020 . 1 . . . . A 146 THR HA . 34765 1 743 . 1 . 1 146 146 THR HB H 1 4.353 0.020 . 1 . . . . A 146 THR HB . 34765 1 744 . 1 . 1 146 146 THR HG21 H 1 1.260 0.020 . 1 . . . . A 146 THR HG21 . 34765 1 745 . 1 . 1 146 146 THR HG22 H 1 1.260 0.020 . 1 . . . . A 146 THR HG22 . 34765 1 746 . 1 . 1 146 146 THR HG23 H 1 1.260 0.020 . 1 . . . . A 146 THR HG23 . 34765 1 747 . 1 . 1 146 146 THR C C 13 172.941 0.3 . 1 . . . . A 146 THR C . 34765 1 748 . 1 . 1 146 146 THR CA C 13 62.537 0.3 . 1 . . . . A 146 THR CA . 34765 1 749 . 1 . 1 146 146 THR CB C 13 69.846 0.3 . 1 . . . . A 146 THR CB . 34765 1 750 . 1 . 1 146 146 THR CG2 C 13 21.695 0.3 . 1 . . . . A 146 THR CG2 . 34765 1 751 . 1 . 1 146 146 THR N N 15 110.412 0.3 . 1 . . . . A 146 THR N . 34765 1 752 . 1 . 1 147 147 ALA H H 1 7.646 0.020 . 1 . . . . A 147 ALA H . 34765 1 753 . 1 . 1 147 147 ALA HA H 1 4.374 0.020 . 1 . . . . A 147 ALA HA . 34765 1 754 . 1 . 1 147 147 ALA HB1 H 1 1.458 0.020 . 1 . . . . A 147 ALA HB1 . 34765 1 755 . 1 . 1 147 147 ALA HB2 H 1 1.458 0.020 . 1 . . . . A 147 ALA HB2 . 34765 1 756 . 1 . 1 147 147 ALA HB3 H 1 1.458 0.020 . 1 . . . . A 147 ALA HB3 . 34765 1 757 . 1 . 1 147 147 ALA C C 13 175.284 0.3 . 1 . . . . A 147 ALA C . 34765 1 758 . 1 . 1 147 147 ALA CA C 13 52.734 0.3 . 1 . . . . A 147 ALA CA . 34765 1 759 . 1 . 1 147 147 ALA CB C 13 19.096 0.3 . 1 . . . . A 147 ALA CB . 34765 1 760 . 1 . 1 147 147 ALA N N 15 125.964 0.3 . 1 . . . . A 147 ALA N . 34765 1 761 . 1 . 1 148 148 LYS H H 1 7.765 0.020 . 1 . . . . A 148 LYS H . 34765 1 762 . 1 . 1 148 148 LYS HA H 1 4.163 0.020 . 1 . . . . A 148 LYS HA . 34765 1 763 . 1 . 1 148 148 LYS HB2 H 1 1.755 0.020 . 2 . . . . A 148 LYS HB2 . 34765 1 764 . 1 . 1 148 148 LYS HB3 H 1 1.871 0.020 . 2 . . . . A 148 LYS HB3 . 34765 1 765 . 1 . 1 148 148 LYS HG2 H 1 1.457 0.020 . 1 . . . . A 148 LYS HG2 . 34765 1 766 . 1 . 1 148 148 LYS HD2 H 1 1.697 0.020 . 1 . . . . A 148 LYS HD2 . 34765 1 767 . 1 . 1 148 148 LYS C C 13 180.009 0.3 . 1 . . . . A 148 LYS C . 34765 1 768 . 1 . 1 148 148 LYS CA C 13 57.621 0.3 . 1 . . . . A 148 LYS CA . 34765 1 769 . 1 . 1 148 148 LYS CB C 13 33.683 0.3 . 1 . . . . A 148 LYS CB . 34765 1 770 . 1 . 1 148 148 LYS CG C 13 24.843 0.3 . 1 . . . . A 148 LYS CG . 34765 1 771 . 1 . 1 148 148 LYS CD C 13 29.024 0.3 . 1 . . . . A 148 LYS CD . 34765 1 772 . 1 . 1 148 148 LYS N N 15 125.884 0.3 . 1 . . . . A 148 LYS N . 34765 1 stop_ save_