data_31035 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31035 _Entry.Title ; Solution Structure of the H3 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-01 _Entry.Accession_date 2022-08-01 _Entry.Last_release_date 2022-08-29 _Entry.Original_release_date 2022-08-29 _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 M. Kelly M. J. . . 31035 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Complex . 31035 TRANSFERASE . 31035 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31035 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 31035 '15N chemical shifts' 147 31035 '1H chemical shifts' 849 31035 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 . . 2023-08-03 . original BMRB . 31035 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8DWQ 'BMRB Entry Tracking System' 31035 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31035 _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 ; Solution Structure of the H3 protein ; _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 M. Kelly M. J. . . 31035 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31035 _Assembly.ID 1 _Assembly.Name 'H3 Protein' _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 . . . . . . 31035 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31035 _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 ; GSHMASMTGGQQMGRMEIFH TSPVEITTINTQGRFGEFLC FAADEYVMTAGDHVTYRIKV DESDIIMAGSIFYHERAADL SGLVERVMQLTGCDEDTAEE LISQRIDVFNLDDIDASDAA ELSWEIQAITAKAAKTLGFR GVSMQDEQGTCYMIDMLGHD AELVRVK ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18471.723 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 . GLY . 31035 1 2 . SER . 31035 1 3 . HIS . 31035 1 4 . MET . 31035 1 5 . ALA . 31035 1 6 . SER . 31035 1 7 . MET . 31035 1 8 . THR . 31035 1 9 . GLY . 31035 1 10 . GLY . 31035 1 11 . GLN . 31035 1 12 . GLN . 31035 1 13 . MET . 31035 1 14 . GLY . 31035 1 15 . ARG . 31035 1 16 . MET . 31035 1 17 . GLU . 31035 1 18 . ILE . 31035 1 19 . PHE . 31035 1 20 . HIS . 31035 1 21 . THR . 31035 1 22 . SER . 31035 1 23 . PRO . 31035 1 24 . VAL . 31035 1 25 . GLU . 31035 1 26 . ILE . 31035 1 27 . THR . 31035 1 28 . THR . 31035 1 29 . ILE . 31035 1 30 . ASN . 31035 1 31 . THR . 31035 1 32 . GLN . 31035 1 33 . GLY . 31035 1 34 . ARG . 31035 1 35 . PHE . 31035 1 36 . GLY . 31035 1 37 . GLU . 31035 1 38 . PHE . 31035 1 39 . LEU . 31035 1 40 . CYS . 31035 1 41 . PHE . 31035 1 42 . ALA . 31035 1 43 . ALA . 31035 1 44 . ASP . 31035 1 45 . GLU . 31035 1 46 . TYR . 31035 1 47 . VAL . 31035 1 48 . MET . 31035 1 49 . THR . 31035 1 50 . ALA . 31035 1 51 . GLY . 31035 1 52 . ASP . 31035 1 53 . HIS . 31035 1 54 . VAL . 31035 1 55 . THR . 31035 1 56 . TYR . 31035 1 57 . ARG . 31035 1 58 . ILE . 31035 1 59 . LYS . 31035 1 60 . VAL . 31035 1 61 . ASP . 31035 1 62 . GLU . 31035 1 63 . SER . 31035 1 64 . ASP . 31035 1 65 . ILE . 31035 1 66 . ILE . 31035 1 67 . MET . 31035 1 68 . ALA . 31035 1 69 . GLY . 31035 1 70 . SER . 31035 1 71 . ILE . 31035 1 72 . PHE . 31035 1 73 . TYR . 31035 1 74 . HIS . 31035 1 75 . GLU . 31035 1 76 . ARG . 31035 1 77 . ALA . 31035 1 78 . ALA . 31035 1 79 . ASP . 31035 1 80 . LEU . 31035 1 81 . SER . 31035 1 82 . GLY . 31035 1 83 . LEU . 31035 1 84 . VAL . 31035 1 85 . GLU . 31035 1 86 . ARG . 31035 1 87 . VAL . 31035 1 88 . MET . 31035 1 89 . GLN . 31035 1 90 . LEU . 31035 1 91 . THR . 31035 1 92 . GLY . 31035 1 93 . CYS . 31035 1 94 . ASP . 31035 1 95 . GLU . 31035 1 96 . ASP . 31035 1 97 . THR . 31035 1 98 . ALA . 31035 1 99 . GLU . 31035 1 100 . GLU . 31035 1 101 . LEU . 31035 1 102 . ILE . 31035 1 103 . SER . 31035 1 104 . GLN . 31035 1 105 . ARG . 31035 1 106 . ILE . 31035 1 107 . ASP . 31035 1 108 . VAL . 31035 1 109 . PHE . 31035 1 110 . ASN . 31035 1 111 . LEU . 31035 1 112 . ASP . 31035 1 113 . ASP . 31035 1 114 . ILE . 31035 1 115 . ASP . 31035 1 116 . ALA . 31035 1 117 . SER . 31035 1 118 . ASP . 31035 1 119 . ALA . 31035 1 120 . ALA . 31035 1 121 . GLU . 31035 1 122 . LEU . 31035 1 123 . SER . 31035 1 124 . TRP . 31035 1 125 . GLU . 31035 1 126 . ILE . 31035 1 127 . GLN . 31035 1 128 . ALA . 31035 1 129 . ILE . 31035 1 130 . THR . 31035 1 131 . ALA . 31035 1 132 . LYS . 31035 1 133 . ALA . 31035 1 134 . ALA . 31035 1 135 . LYS . 31035 1 136 . THR . 31035 1 137 . LEU . 31035 1 138 . GLY . 31035 1 139 . PHE . 31035 1 140 . ARG . 31035 1 141 . GLY . 31035 1 142 . VAL . 31035 1 143 . SER . 31035 1 144 . MET . 31035 1 145 . GLN . 31035 1 146 . ASP . 31035 1 147 . GLU . 31035 1 148 . GLN . 31035 1 149 . GLY . 31035 1 150 . THR . 31035 1 151 . CYS . 31035 1 152 . TYR . 31035 1 153 . MET . 31035 1 154 . ILE . 31035 1 155 . ASP . 31035 1 156 . MET . 31035 1 157 . LEU . 31035 1 158 . GLY . 31035 1 159 . HIS . 31035 1 160 . ASP . 31035 1 161 . ALA . 31035 1 162 . GLU . 31035 1 163 . LEU . 31035 1 164 . VAL . 31035 1 165 . ARG . 31035 1 166 . VAL . 31035 1 167 . LYS . 31035 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 31035 1 . SER 2 2 31035 1 . HIS 3 3 31035 1 . MET 4 4 31035 1 . ALA 5 5 31035 1 . SER 6 6 31035 1 . MET 7 7 31035 1 . THR 8 8 31035 1 . GLY 9 9 31035 1 . GLY 10 10 31035 1 . GLN 11 11 31035 1 . GLN 12 12 31035 1 . MET 13 13 31035 1 . GLY 14 14 31035 1 . ARG 15 15 31035 1 . MET 16 16 31035 1 . GLU 17 17 31035 1 . ILE 18 18 31035 1 . PHE 19 19 31035 1 . HIS 20 20 31035 1 . THR 21 21 31035 1 . SER 22 22 31035 1 . PRO 23 23 31035 1 . VAL 24 24 31035 1 . GLU 25 25 31035 1 . ILE 26 26 31035 1 . THR 27 27 31035 1 . THR 28 28 31035 1 . ILE 29 29 31035 1 . ASN 30 30 31035 1 . THR 31 31 31035 1 . GLN 32 32 31035 1 . GLY 33 33 31035 1 . ARG 34 34 31035 1 . PHE 35 35 31035 1 . GLY 36 36 31035 1 . GLU 37 37 31035 1 . PHE 38 38 31035 1 . LEU 39 39 31035 1 . CYS 40 40 31035 1 . PHE 41 41 31035 1 . ALA 42 42 31035 1 . ALA 43 43 31035 1 . ASP 44 44 31035 1 . GLU 45 45 31035 1 . TYR 46 46 31035 1 . VAL 47 47 31035 1 . MET 48 48 31035 1 . THR 49 49 31035 1 . ALA 50 50 31035 1 . GLY 51 51 31035 1 . ASP 52 52 31035 1 . HIS 53 53 31035 1 . VAL 54 54 31035 1 . THR 55 55 31035 1 . TYR 56 56 31035 1 . ARG 57 57 31035 1 . ILE 58 58 31035 1 . LYS 59 59 31035 1 . VAL 60 60 31035 1 . ASP 61 61 31035 1 . GLU 62 62 31035 1 . SER 63 63 31035 1 . ASP 64 64 31035 1 . ILE 65 65 31035 1 . ILE 66 66 31035 1 . MET 67 67 31035 1 . ALA 68 68 31035 1 . GLY 69 69 31035 1 . SER 70 70 31035 1 . ILE 71 71 31035 1 . PHE 72 72 31035 1 . TYR 73 73 31035 1 . HIS 74 74 31035 1 . GLU 75 75 31035 1 . ARG 76 76 31035 1 . ALA 77 77 31035 1 . ALA 78 78 31035 1 . ASP 79 79 31035 1 . LEU 80 80 31035 1 . SER 81 81 31035 1 . GLY 82 82 31035 1 . LEU 83 83 31035 1 . VAL 84 84 31035 1 . GLU 85 85 31035 1 . ARG 86 86 31035 1 . VAL 87 87 31035 1 . MET 88 88 31035 1 . GLN 89 89 31035 1 . LEU 90 90 31035 1 . THR 91 91 31035 1 . GLY 92 92 31035 1 . CYS 93 93 31035 1 . ASP 94 94 31035 1 . GLU 95 95 31035 1 . ASP 96 96 31035 1 . THR 97 97 31035 1 . ALA 98 98 31035 1 . GLU 99 99 31035 1 . GLU 100 100 31035 1 . LEU 101 101 31035 1 . ILE 102 102 31035 1 . SER 103 103 31035 1 . GLN 104 104 31035 1 . ARG 105 105 31035 1 . ILE 106 106 31035 1 . ASP 107 107 31035 1 . VAL 108 108 31035 1 . PHE 109 109 31035 1 . ASN 110 110 31035 1 . LEU 111 111 31035 1 . ASP 112 112 31035 1 . ASP 113 113 31035 1 . ILE 114 114 31035 1 . ASP 115 115 31035 1 . ALA 116 116 31035 1 . SER 117 117 31035 1 . ASP 118 118 31035 1 . ALA 119 119 31035 1 . ALA 120 120 31035 1 . GLU 121 121 31035 1 . LEU 122 122 31035 1 . SER 123 123 31035 1 . TRP 124 124 31035 1 . GLU 125 125 31035 1 . ILE 126 126 31035 1 . GLN 127 127 31035 1 . ALA 128 128 31035 1 . ILE 129 129 31035 1 . THR 130 130 31035 1 . ALA 131 131 31035 1 . LYS 132 132 31035 1 . ALA 133 133 31035 1 . ALA 134 134 31035 1 . LYS 135 135 31035 1 . THR 136 136 31035 1 . LEU 137 137 31035 1 . GLY 138 138 31035 1 . PHE 139 139 31035 1 . ARG 140 140 31035 1 . GLY 141 141 31035 1 . VAL 142 142 31035 1 . SER 143 143 31035 1 . MET 144 144 31035 1 . GLN 145 145 31035 1 . ASP 146 146 31035 1 . GLU 147 147 31035 1 . GLN 148 148 31035 1 . GLY 149 149 31035 1 . THR 150 150 31035 1 . CYS 151 151 31035 1 . TYR 152 152 31035 1 . MET 153 153 31035 1 . ILE 154 154 31035 1 . ASP 155 155 31035 1 . MET 156 156 31035 1 . LEU 157 157 31035 1 . GLY 158 158 31035 1 . HIS 159 159 31035 1 . ASP 160 160 31035 1 . ALA 161 161 31035 1 . GLU 162 162 31035 1 . LEU 163 163 31035 1 . VAL 164 164 31035 1 . ARG 165 165 31035 1 . VAL 166 166 31035 1 . LYS 167 167 31035 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 31035 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 31035 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 31035 _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 . . . . . . . . . . 31035 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31035 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM [U-100% 13C; U-100% 15N] H3 Protein, 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 'H3 Protein' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . . 0.7 . . mM . . . . 31035 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 31035 _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' 50 . mM 31035 1 pH 7 . pH 31035 1 pressure 1 . atm 31035 1 temperature 298 . K 31035 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31035 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version 1.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 31035 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31035 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31035 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31035 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31035 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31035 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31035 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31035 3 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 31035 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31035 _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 NEO' . 800 . . . 31035 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 31035 _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-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31035 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 31035 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 31035 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31035 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31035 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 31035 _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-1H NOESY' . . . 31035 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 2 2 SER HA H 1 4.358 0.001 . 1 . . 604 . A 2 SER HA . 31035 1 2 . 1 . 1 2 2 SER HB2 H 1 3.919 0.001 . 2 . . 602 . A 2 SER HB2 . 31035 1 3 . 1 . 1 2 2 SER HB3 H 1 4.052 0.0 . 2 . . 603 . A 2 SER HB3 . 31035 1 4 . 1 . 1 2 2 SER CA C 13 60.342 0.001 . 1 . . 1486 . A 2 SER CA . 31035 1 5 . 1 . 1 2 2 SER CB C 13 63.071 0.001 . 1 . . 611 . A 2 SER CB . 31035 1 6 . 1 . 1 3 3 HIS H H 1 7.903 0.0 . 1 . . 149 . A 3 HIS H . 31035 1 7 . 1 . 1 3 3 HIS HA H 1 4.142 0.001 . 1 . . 605 . A 3 HIS HA . 31035 1 8 . 1 . 1 3 3 HIS HB2 H 1 3.109 0.0 . 2 . . 606 . A 3 HIS HB2 . 31035 1 9 . 1 . 1 3 3 HIS HB3 H 1 2.845 0.002 . 2 . . 607 . A 3 HIS HB3 . 31035 1 10 . 1 . 1 3 3 HIS CA C 13 54.955 0.007 . 1 . . 1487 . A 3 HIS CA . 31035 1 11 . 1 . 1 3 3 HIS CB C 13 31.994 0.0 . 1 . . 612 . A 3 HIS CB . 31035 1 12 . 1 . 1 3 3 HIS N N 15 120.927 0.03 . 1 . . 150 . A 3 HIS N . 31035 1 13 . 1 . 1 4 4 MET H H 1 8.269 0.003 . 1 . . 89 . A 4 MET H . 31035 1 14 . 1 . 1 4 4 MET HA H 1 4.414 0.001 . 1 . . 610 . A 4 MET HA . 31035 1 15 . 1 . 1 4 4 MET HB2 H 1 2.048 0.0 . 2 . . 608 . A 4 MET HB2 . 31035 1 16 . 1 . 1 4 4 MET HB3 H 1 1.936 0.001 . 2 . . 1488 . A 4 MET HB3 . 31035 1 17 . 1 . 1 4 4 MET HG2 H 1 2.435 0.001 . 2 . . 609 . A 4 MET HG2 . 31035 1 18 . 1 . 1 4 4 MET HG3 H 1 2.501 0.001 . 2 . . 1490 . A 4 MET HG3 . 31035 1 19 . 1 . 1 4 4 MET CA C 13 55.676 0.093 . 1 . . 613 . A 4 MET CA . 31035 1 20 . 1 . 1 4 4 MET CB C 13 32.959 0.0 . 1 . . 614 . A 4 MET CB . 31035 1 21 . 1 . 1 4 4 MET CG C 13 31.856 0.001 . 1 . . 1489 . A 4 MET CG . 31035 1 22 . 1 . 1 4 4 MET N N 15 120.476 0.009 . 1 . . 90 . A 4 MET N . 31035 1 23 . 1 . 1 5 5 ALA H H 1 8.348 0.006 . 1 . . 84 . A 5 ALA H . 31035 1 24 . 1 . 1 5 5 ALA CA C 13 52.861 . . 1 . . 304 . A 5 ALA CA . 31035 1 25 . 1 . 1 5 5 ALA CB C 13 19.105 . . 1 . . 303 . A 5 ALA CB . 31035 1 26 . 1 . 1 5 5 ALA N N 15 125.219 0.006 . 1 . . 85 . A 5 ALA N . 31035 1 27 . 1 . 1 6 6 SER CA C 13 58.511 . . 1 . . 1191 . A 6 SER CA . 31035 1 28 . 1 . 1 6 6 SER CB C 13 63.974 . . 1 . . 1190 . A 6 SER CB . 31035 1 29 . 1 . 1 7 7 MET H H 1 8.007 0.002 . 1 . . 257 . A 7 MET H . 31035 1 30 . 1 . 1 7 7 MET HA H 1 4.587 0.001 . 1 . . 615 . A 7 MET HA . 31035 1 31 . 1 . 1 7 7 MET HB2 H 1 2.045 0.001 . 2 . . 617 . A 7 MET HB2 . 31035 1 32 . 1 . 1 7 7 MET HB3 H 1 2.151 0.003 . 2 . . 1491 . A 7 MET HB3 . 31035 1 33 . 1 . 1 7 7 MET HG2 H 1 2.537 0.001 . 2 . . 616 . A 7 MET HG2 . 31035 1 34 . 1 . 1 7 7 MET HG3 H 1 2.622 0.0 . 2 . . 1492 . A 7 MET HG3 . 31035 1 35 . 1 . 1 7 7 MET CA C 13 55.782 0.006 . 1 . . 363 . A 7 MET CA . 31035 1 36 . 1 . 1 7 7 MET CB C 13 33.048 0.008 . 1 . . 364 . A 7 MET CB . 31035 1 37 . 1 . 1 7 7 MET CG C 13 32.132 0.002 . 1 . . 1493 . A 7 MET CG . 31035 1 38 . 1 . 1 7 7 MET N N 15 125.858 0.004 . 1 . . 258 . A 7 MET N . 31035 1 39 . 1 . 1 8 8 THR H H 1 8.143 0.002 . 1 . . 243 . A 8 THR H . 31035 1 40 . 1 . 1 8 8 THR HA H 1 4.263 . . 1 . . 620 . A 8 THR HA . 31035 1 41 . 1 . 1 8 8 THR HB H 1 4.390 . . 1 . . 621 . A 8 THR HB . 31035 1 42 . 1 . 1 8 8 THR HG21 H 1 1.189 . . 1 . . 1494 . A 8 THR HG21 . 31035 1 43 . 1 . 1 8 8 THR HG22 H 1 1.189 . . 1 . . 1494 . A 8 THR HG22 . 31035 1 44 . 1 . 1 8 8 THR HG23 H 1 1.189 . . 1 . . 1494 . A 8 THR HG23 . 31035 1 45 . 1 . 1 8 8 THR CA C 13 61.847 0.102 . 1 . . 619 . A 8 THR CA . 31035 1 46 . 1 . 1 8 8 THR CB C 13 69.774 0.197 . 1 . . 333 . A 8 THR CB . 31035 1 47 . 1 . 1 8 8 THR CG2 C 13 21.381 . . 1 . . 618 . A 8 THR CG2 . 31035 1 48 . 1 . 1 8 8 THR N N 15 114.101 0.006 . 1 . . 244 . A 8 THR N . 31035 1 49 . 1 . 1 9 9 GLY H H 1 8.436 0.004 . 1 . . 187 . A 9 GLY H . 31035 1 50 . 1 . 1 9 9 GLY HA2 H 1 3.973 . . 1 . . 1495 . A 9 GLY HA2 . 31035 1 51 . 1 . 1 9 9 GLY HA3 H 1 3.973 . . 1 . . 1496 . A 9 GLY HA3 . 31035 1 52 . 1 . 1 9 9 GLY CA C 13 45.479 0.003 . 1 . . 1008 . A 9 GLY CA . 31035 1 53 . 1 . 1 9 9 GLY N N 15 111.324 0.022 . 1 . . 188 . A 9 GLY N . 31035 1 54 . 1 . 1 10 10 GLY H H 1 8.319 0.001 . 1 . . 155 . A 10 GLY H . 31035 1 55 . 1 . 1 10 10 GLY HA2 H 1 4.011 . . 1 . . 1498 . A 10 GLY HA2 . 31035 1 56 . 1 . 1 10 10 GLY HA3 H 1 4.011 . . 1 . . 1499 . A 10 GLY HA3 . 31035 1 57 . 1 . 1 10 10 GLY CA C 13 45.028 . . 1 . . 1497 . A 10 GLY CA . 31035 1 58 . 1 . 1 10 10 GLY N N 15 108.663 0.033 . 1 . . 156 . A 10 GLY N . 31035 1 59 . 1 . 1 11 11 GLN HA H 1 3.519 0.001 . 1 . . 622 . A 11 GLN HA . 31035 1 60 . 1 . 1 11 11 GLN HB2 H 1 1.419 0.002 . 2 . . 624 . A 11 GLN HB2 . 31035 1 61 . 1 . 1 11 11 GLN HB3 H 1 1.419 0.002 . 2 . . 1501 . A 11 GLN HB3 . 31035 1 62 . 1 . 1 11 11 GLN HG2 H 1 1.610 0.001 . 2 . . 623 . A 11 GLN HG2 . 31035 1 63 . 1 . 1 11 11 GLN HG3 H 1 1.658 0.001 . 2 . . 1500 . A 11 GLN HG3 . 31035 1 64 . 1 . 1 11 11 GLN CA C 13 57.178 0.0 . 1 . . 625 . A 11 GLN CA . 31035 1 65 . 1 . 1 11 11 GLN CB C 13 29.851 0.001 . 1 . . 627 . A 11 GLN CB . 31035 1 66 . 1 . 1 11 11 GLN CG C 13 35.887 0.002 . 1 . . 626 . A 11 GLN CG . 31035 1 67 . 1 . 1 12 12 GLN H H 1 8.094 0.005 . 1 . . 283 . A 12 GLN H . 31035 1 68 . 1 . 1 12 12 GLN HA H 1 4.333 0.0 . 1 . . 631 . A 12 GLN HA . 31035 1 69 . 1 . 1 12 12 GLN HB2 H 1 1.988 0.0 . 2 . . 632 . A 12 GLN HB2 . 31035 1 70 . 1 . 1 12 12 GLN HB3 H 1 2.101 0.001 . 2 . . 1504 . A 12 GLN HB3 . 31035 1 71 . 1 . 1 12 12 GLN HG2 H 1 2.354 0.001 . 1 . . 1502 . A 12 GLN HG2 . 31035 1 72 . 1 . 1 12 12 GLN HG3 H 1 2.354 0.001 . 1 . . 1503 . A 12 GLN HG3 . 31035 1 73 . 1 . 1 12 12 GLN CA C 13 55.968 0.005 . 1 . . 628 . A 12 GLN CA . 31035 1 74 . 1 . 1 12 12 GLN CB C 13 29.481 0.001 . 1 . . 630 . A 12 GLN CB . 31035 1 75 . 1 . 1 12 12 GLN CG C 13 33.929 0.003 . 1 . . 629 . A 12 GLN CG . 31035 1 76 . 1 . 1 12 12 GLN N N 15 121.216 0.005 . 1 . . 284 . A 12 GLN N . 31035 1 77 . 1 . 1 13 13 MET H H 1 8.513 0.004 . 1 . . 14 . A 13 MET H . 31035 1 78 . 1 . 1 13 13 MET HA H 1 4.492 0.0 . 1 . . 633 . A 13 MET HA . 31035 1 79 . 1 . 1 13 13 MET HB2 H 1 2.022 0.0 . 2 . . 635 . A 13 MET HB2 . 31035 1 80 . 1 . 1 13 13 MET HB3 H 1 2.118 0.0 . 2 . . 1511 . A 13 MET HB3 . 31035 1 81 . 1 . 1 13 13 MET HG2 H 1 2.532 0.001 . 2 . . 634 . A 13 MET HG2 . 31035 1 82 . 1 . 1 13 13 MET HG3 H 1 2.617 0.001 . 2 . . 1512 . A 13 MET HG3 . 31035 1 83 . 1 . 1 13 13 MET CA C 13 55.677 0.0 . 1 . . 636 . A 13 MET CA . 31035 1 84 . 1 . 1 13 13 MET CB C 13 33.112 0.0 . 1 . . 357 . A 13 MET CB . 31035 1 85 . 1 . 1 13 13 MET CG C 13 32.101 0.003 . 1 . . 1510 . A 13 MET CG . 31035 1 86 . 1 . 1 13 13 MET N N 15 121.789 0.027 . 1 . . 15 . A 13 MET N . 31035 1 87 . 1 . 1 14 14 GLY H H 1 8.653 0.001 . 1 . . 247 . A 14 GLY H . 31035 1 88 . 1 . 1 14 14 GLY HA2 H 1 3.946 . . 1 . . 637 . A 14 GLY HA2 . 31035 1 89 . 1 . 1 14 14 GLY HA3 H 1 3.946 . . 1 . . 1505 . A 14 GLY HA3 . 31035 1 90 . 1 . 1 14 14 GLY CA C 13 45.545 . . 1 . . 1506 . A 14 GLY CA . 31035 1 91 . 1 . 1 14 14 GLY N N 15 110.613 0.003 . 1 . . 248 . A 14 GLY N . 31035 1 92 . 1 . 1 15 15 ARG H H 1 8.078 0.003 . 1 . . 285 . A 15 ARG H . 31035 1 93 . 1 . 1 15 15 ARG HA H 1 4.669 0.001 . 1 . . 641 . A 15 ARG HA . 31035 1 94 . 1 . 1 15 15 ARG HB2 H 1 1.649 0.001 . 1 . . 639 . A 15 ARG HB2 . 31035 1 95 . 1 . 1 15 15 ARG HB3 H 1 1.649 0.001 . 1 . . 1507 . A 15 ARG HB3 . 31035 1 96 . 1 . 1 15 15 ARG HG2 H 1 1.495 0.001 . 2 . . 640 . A 15 ARG HG2 . 31035 1 97 . 1 . 1 15 15 ARG HG3 H 1 1.576 0.001 . 2 . . 1508 . A 15 ARG HG3 . 31035 1 98 . 1 . 1 15 15 ARG HD2 H 1 3.046 0.0 . 1 . . 638 . A 15 ARG HD2 . 31035 1 99 . 1 . 1 15 15 ARG HD3 H 1 3.046 0.0 . 1 . . 1509 . A 15 ARG HD3 . 31035 1 100 . 1 . 1 15 15 ARG CA C 13 55.846 0.007 . 1 . . 642 . A 15 ARG CA . 31035 1 101 . 1 . 1 15 15 ARG CB C 13 31.972 0.009 . 1 . . 644 . A 15 ARG CB . 31035 1 102 . 1 . 1 15 15 ARG CG C 13 27.319 0.0 . 1 . . 645 . A 15 ARG CG . 31035 1 103 . 1 . 1 15 15 ARG CD C 13 43.607 0.0 . 1 . . 643 . A 15 ARG CD . 31035 1 104 . 1 . 1 15 15 ARG N N 15 120.915 0.002 . 1 . . 286 . A 15 ARG N . 31035 1 105 . 1 . 1 16 16 MET H H 1 8.791 0.002 . 1 . . 52 . A 16 MET H . 31035 1 106 . 1 . 1 16 16 MET HA H 1 4.594 0.001 . 1 . . 648 . A 16 MET HA . 31035 1 107 . 1 . 1 16 16 MET HB2 H 1 1.784 0.001 . 2 . . 649 . A 16 MET HB2 . 31035 1 108 . 1 . 1 16 16 MET HB3 H 1 1.821 0.001 . 2 . . 1137 . A 16 MET HB3 . 31035 1 109 . 1 . 1 16 16 MET HG2 H 1 2.199 0.002 . 2 . . 1132 . A 16 MET HG2 . 31035 1 110 . 1 . 1 16 16 MET HG3 H 1 2.251 0.001 . 2 . . 1138 . A 16 MET HG3 . 31035 1 111 . 1 . 1 16 16 MET HE1 H 1 1.594 0.002 . 1 . . 1139 . A 16 MET HE1 . 31035 1 112 . 1 . 1 16 16 MET HE2 H 1 1.594 0.002 . 1 . . 1139 . A 16 MET HE2 . 31035 1 113 . 1 . 1 16 16 MET HE3 H 1 1.594 0.002 . 1 . . 1139 . A 16 MET HE3 . 31035 1 114 . 1 . 1 16 16 MET CA C 13 54.836 0.083 . 1 . . 646 . A 16 MET CA . 31035 1 115 . 1 . 1 16 16 MET CB C 13 35.201 0.01 . 1 . . 301 . A 16 MET CB . 31035 1 116 . 1 . 1 16 16 MET CG C 13 31.017 0.001 . 1 . . 647 . A 16 MET CG . 31035 1 117 . 1 . 1 16 16 MET CE C 13 16.606 0.004 . 1 . . 1140 . A 16 MET CE . 31035 1 118 . 1 . 1 16 16 MET N N 15 122.565 0.007 . 1 . . 53 . A 16 MET N . 31035 1 119 . 1 . 1 17 17 GLU H H 1 8.361 0.002 . 1 . . 32 . A 17 GLU H . 31035 1 120 . 1 . 1 17 17 GLU HA H 1 4.845 0.003 . 1 . . 650 . A 17 GLU HA . 31035 1 121 . 1 . 1 17 17 GLU HB2 H 1 1.793 0.001 . 2 . . 1133 . A 17 GLU HB2 . 31035 1 122 . 1 . 1 17 17 GLU HB3 H 1 1.665 0.002 . 2 . . 1134 . A 17 GLU HB3 . 31035 1 123 . 1 . 1 17 17 GLU HG2 H 1 1.824 0.004 . 2 . . 1135 . A 17 GLU HG2 . 31035 1 124 . 1 . 1 17 17 GLU HG3 H 1 2.104 0.004 . 2 . . 1136 . A 17 GLU HG3 . 31035 1 125 . 1 . 1 17 17 GLU CA C 13 55.192 0.0 . 1 . . 651 . A 17 GLU CA . 31035 1 126 . 1 . 1 17 17 GLU CB C 13 31.180 0.007 . 1 . . 296 . A 17 GLU CB . 31035 1 127 . 1 . 1 17 17 GLU CG C 13 37.037 0.0 . 1 . . 652 . A 17 GLU CG . 31035 1 128 . 1 . 1 17 17 GLU N N 15 123.441 0.003 . 1 . . 33 . A 17 GLU N . 31035 1 129 . 1 . 1 18 18 ILE H H 1 8.023 0.004 . 1 . . 227 . A 18 ILE H . 31035 1 130 . 1 . 1 18 18 ILE HA H 1 4.776 0.009 . 1 . . 657 . A 18 ILE HA . 31035 1 131 . 1 . 1 18 18 ILE HB H 1 1.744 0.002 . 1 . . 658 . A 18 ILE HB . 31035 1 132 . 1 . 1 18 18 ILE HG12 H 1 0.738 0.006 . 2 . . 659 . A 18 ILE HG12 . 31035 1 133 . 1 . 1 18 18 ILE HG13 H 1 0.443 0.002 . 2 . . 1010 . A 18 ILE HG13 . 31035 1 134 . 1 . 1 18 18 ILE HG21 H 1 0.353 0.003 . 1 . . 661 . A 18 ILE HG21 . 31035 1 135 . 1 . 1 18 18 ILE HG22 H 1 0.353 0.003 . 1 . . 661 . A 18 ILE HG22 . 31035 1 136 . 1 . 1 18 18 ILE HG23 H 1 0.353 0.003 . 1 . . 661 . A 18 ILE HG23 . 31035 1 137 . 1 . 1 18 18 ILE HD11 H 1 -0.124 0.001 . 1 . . 660 . A 18 ILE HD11 . 31035 1 138 . 1 . 1 18 18 ILE HD12 H 1 -0.124 0.001 . 1 . . 660 . A 18 ILE HD12 . 31035 1 139 . 1 . 1 18 18 ILE HD13 H 1 -0.124 0.001 . 1 . . 660 . A 18 ILE HD13 . 31035 1 140 . 1 . 1 18 18 ILE CA C 13 60.028 0.001 . 1 . . 653 . A 18 ILE CA . 31035 1 141 . 1 . 1 18 18 ILE CB C 13 41.831 0.023 . 1 . . 329 . A 18 ILE CB . 31035 1 142 . 1 . 1 18 18 ILE CG1 C 13 24.522 0.044 . 1 . . 654 . A 18 ILE CG1 . 31035 1 143 . 1 . 1 18 18 ILE CG2 C 13 18.978 0.07 . 1 . . 655 . A 18 ILE CG2 . 31035 1 144 . 1 . 1 18 18 ILE CD1 C 13 13.132 0.041 . 1 . . 656 . A 18 ILE CD1 . 31035 1 145 . 1 . 1 18 18 ILE N N 15 116.502 0.02 . 1 . . 228 . A 18 ILE N . 31035 1 146 . 1 . 1 19 19 PHE H H 1 9.142 0.003 . 1 . . 48 . A 19 PHE H . 31035 1 147 . 1 . 1 19 19 PHE HA H 1 5.939 0.002 . 1 . . 662 . A 19 PHE HA . 31035 1 148 . 1 . 1 19 19 PHE HB2 H 1 2.911 0.002 . 2 . . 663 . A 19 PHE HB2 . 31035 1 149 . 1 . 1 19 19 PHE HB3 H 1 2.886 0.002 . 2 . . 1141 . A 19 PHE HB3 . 31035 1 150 . 1 . 1 19 19 PHE CA C 13 58.437 0.011 . 1 . . 664 . A 19 PHE CA . 31035 1 151 . 1 . 1 19 19 PHE CB C 13 43.446 0.071 . 1 . . 665 . A 19 PHE CB . 31035 1 152 . 1 . 1 19 19 PHE N N 15 116.547 0.025 . 1 . . 49 . A 19 PHE N . 31035 1 153 . 1 . 1 20 20 HIS H H 1 9.727 0.004 . 1 . . 119 . A 20 HIS H . 31035 1 154 . 1 . 1 20 20 HIS HA H 1 5.015 0.003 . 1 . . 666 . A 20 HIS HA . 31035 1 155 . 1 . 1 20 20 HIS HB2 H 1 2.312 0.011 . 2 . . 667 . A 20 HIS HB2 . 31035 1 156 . 1 . 1 20 20 HIS HB3 H 1 2.331 0.014 . 2 . . 1142 . A 20 HIS HB3 . 31035 1 157 . 1 . 1 20 20 HIS CA C 13 55.096 0.057 . 1 . . 315 . A 20 HIS CA . 31035 1 158 . 1 . 1 20 20 HIS CB C 13 31.912 0.013 . 1 . . 314 . A 20 HIS CB . 31035 1 159 . 1 . 1 20 20 HIS N N 15 124.271 0.016 . 1 . . 120 . A 20 HIS N . 31035 1 160 . 1 . 1 21 21 THR H H 1 8.055 0.003 . 1 . . 195 . A 21 THR H . 31035 1 161 . 1 . 1 21 21 THR HA H 1 5.172 0.003 . 1 . . 668 . A 21 THR HA . 31035 1 162 . 1 . 1 21 21 THR HB H 1 3.709 0.003 . 1 . . 669 . A 21 THR HB . 31035 1 163 . 1 . 1 21 21 THR HG21 H 1 1.010 0.005 . 1 . . 670 . A 21 THR HG21 . 31035 1 164 . 1 . 1 21 21 THR HG22 H 1 1.010 0.005 . 1 . . 670 . A 21 THR HG22 . 31035 1 165 . 1 . 1 21 21 THR HG23 H 1 1.010 0.005 . 1 . . 670 . A 21 THR HG23 . 31035 1 166 . 1 . 1 21 21 THR CA C 13 60.566 0.087 . 1 . . 671 . A 21 THR CA . 31035 1 167 . 1 . 1 21 21 THR CB C 13 70.019 0.087 . 1 . . 983 . A 21 THR CB . 31035 1 168 . 1 . 1 21 21 THR CG2 C 13 21.938 0.113 . 1 . . 672 . A 21 THR CG2 . 31035 1 169 . 1 . 1 21 21 THR N N 15 122.001 0.054 . 1 . . 196 . A 21 THR N . 31035 1 170 . 1 . 1 22 22 SER H H 1 9.017 0.003 . 1 . . 231 . A 22 SER H . 31035 1 171 . 1 . 1 22 22 SER HA H 1 5.113 0.001 . 1 . . 1145 . A 22 SER HA . 31035 1 172 . 1 . 1 22 22 SER HB2 H 1 3.897 0.002 . 2 . . 1146 . A 22 SER HB2 . 31035 1 173 . 1 . 1 22 22 SER HB3 H 1 4.133 0.002 . 2 . . 1147 . A 22 SER HB3 . 31035 1 174 . 1 . 1 22 22 SER CA C 13 53.373 0.043 . 1 . . 1144 . A 22 SER CA . 31035 1 175 . 1 . 1 22 22 SER CB C 13 65.891 0.038 . 1 . . 1143 . A 22 SER CB . 31035 1 176 . 1 . 1 22 22 SER N N 15 118.325 0.02 . 1 . . 232 . A 22 SER N . 31035 1 177 . 1 . 1 23 23 PRO HA H 1 4.399 0.009 . 1 . . 1151 . A 23 PRO HA . 31035 1 178 . 1 . 1 23 23 PRO HD2 H 1 3.820 0.008 . 2 . . 1152 . A 23 PRO HD2 . 31035 1 179 . 1 . 1 23 23 PRO HD3 H 1 4.046 0.007 . 2 . . 1153 . A 23 PRO HD3 . 31035 1 180 . 1 . 1 23 23 PRO CA C 13 64.369 0.051 . 1 . . 1148 . A 23 PRO CA . 31035 1 181 . 1 . 1 23 23 PRO CB C 13 32.243 0.068 . 1 . . 1149 . A 23 PRO CB . 31035 1 182 . 1 . 1 23 23 PRO CG C 13 26.920 . . 1 . . 1150 . A 23 PRO CG . 31035 1 183 . 1 . 1 23 23 PRO CD C 13 50.815 0.005 . 1 . . 1154 . A 23 PRO CD . 31035 1 184 . 1 . 1 24 24 VAL H H 1 7.214 0.002 . 1 . . 109 . A 24 VAL H . 31035 1 185 . 1 . 1 24 24 VAL HA H 1 4.642 0.002 . 1 . . 676 . A 24 VAL HA . 31035 1 186 . 1 . 1 24 24 VAL HB H 1 2.229 0.004 . 1 . . 675 . A 24 VAL HB . 31035 1 187 . 1 . 1 24 24 VAL HG11 H 1 0.780 0.005 . 2 . . 673 . A 24 VAL HG11 . 31035 1 188 . 1 . 1 24 24 VAL HG12 H 1 0.780 0.005 . 2 . . 673 . A 24 VAL HG12 . 31035 1 189 . 1 . 1 24 24 VAL HG13 H 1 0.780 0.005 . 2 . . 673 . A 24 VAL HG13 . 31035 1 190 . 1 . 1 24 24 VAL HG21 H 1 0.913 0.003 . 2 . . 674 . A 24 VAL HG21 . 31035 1 191 . 1 . 1 24 24 VAL HG22 H 1 0.913 0.003 . 2 . . 674 . A 24 VAL HG22 . 31035 1 192 . 1 . 1 24 24 VAL HG23 H 1 0.913 0.003 . 2 . . 674 . A 24 VAL HG23 . 31035 1 193 . 1 . 1 24 24 VAL CA C 13 58.546 0.007 . 1 . . 677 . A 24 VAL CA . 31035 1 194 . 1 . 1 24 24 VAL CB C 13 36.350 0.059 . 1 . . 308 . A 24 VAL CB . 31035 1 195 . 1 . 1 24 24 VAL CG1 C 13 18.039 0.129 . 2 . . 679 . A 24 VAL CG1 . 31035 1 196 . 1 . 1 24 24 VAL CG2 C 13 21.621 0.134 . 2 . . 678 . A 24 VAL CG2 . 31035 1 197 . 1 . 1 24 24 VAL N N 15 107.674 0.023 . 1 . . 110 . A 24 VAL N . 31035 1 198 . 1 . 1 25 25 GLU H H 1 8.826 0.003 . 1 . . 169 . A 25 GLU H . 31035 1 199 . 1 . 1 25 25 GLU HA H 1 4.408 0.002 . 1 . . 682 . A 25 GLU HA . 31035 1 200 . 1 . 1 25 25 GLU HB2 H 1 1.980 0.005 . 1 . . 683 . A 25 GLU HB2 . 31035 1 201 . 1 . 1 25 25 GLU HB3 H 1 1.980 0.005 . 1 . . 1155 . A 25 GLU HB3 . 31035 1 202 . 1 . 1 25 25 GLU HG2 H 1 2.201 0.005 . 2 . . 684 . A 25 GLU HG2 . 31035 1 203 . 1 . 1 25 25 GLU HG3 H 1 2.356 0.001 . 2 . . 685 . A 25 GLU HG3 . 31035 1 204 . 1 . 1 25 25 GLU CA C 13 57.692 0.022 . 1 . . 321 . A 25 GLU CA . 31035 1 205 . 1 . 1 25 25 GLU CB C 13 30.223 0.076 . 1 . . 681 . A 25 GLU CB . 31035 1 206 . 1 . 1 25 25 GLU CG C 13 37.559 0.067 . 1 . . 680 . A 25 GLU CG . 31035 1 207 . 1 . 1 25 25 GLU N N 15 122.568 0.01 . 1 . . 170 . A 25 GLU N . 31035 1 208 . 1 . 1 26 26 ILE H H 1 8.410 0.003 . 1 . . 103 . A 26 ILE H . 31035 1 209 . 1 . 1 26 26 ILE HA H 1 4.087 0.001 . 1 . . 686 . A 26 ILE HA . 31035 1 210 . 1 . 1 26 26 ILE HB H 1 1.295 0.003 . 1 . . 489 . A 26 ILE HB . 31035 1 211 . 1 . 1 26 26 ILE HG12 H 1 0.974 0.002 . 2 . . 687 . A 26 ILE HG12 . 31035 1 212 . 1 . 1 26 26 ILE HG13 H 1 1.626 0.001 . 2 . . 688 . A 26 ILE HG13 . 31035 1 213 . 1 . 1 26 26 ILE HG21 H 1 0.572 0.003 . 1 . . 1011 . A 26 ILE HG21 . 31035 1 214 . 1 . 1 26 26 ILE HG22 H 1 0.572 0.003 . 1 . . 1011 . A 26 ILE HG22 . 31035 1 215 . 1 . 1 26 26 ILE HG23 H 1 0.572 0.003 . 1 . . 1011 . A 26 ILE HG23 . 31035 1 216 . 1 . 1 26 26 ILE HD11 H 1 0.675 0.001 . 1 . . 388 . A 26 ILE HD11 . 31035 1 217 . 1 . 1 26 26 ILE HD12 H 1 0.675 0.001 . 1 . . 388 . A 26 ILE HD12 . 31035 1 218 . 1 . 1 26 26 ILE HD13 H 1 0.675 0.001 . 1 . . 388 . A 26 ILE HD13 . 31035 1 219 . 1 . 1 26 26 ILE CA C 13 61.280 0.017 . 1 . . 307 . A 26 ILE CA . 31035 1 220 . 1 . 1 26 26 ILE CB C 13 39.630 0.094 . 1 . . 490 . A 26 ILE CB . 31035 1 221 . 1 . 1 26 26 ILE CG1 C 13 27.241 0.044 . 1 . . 689 . A 26 ILE CG1 . 31035 1 222 . 1 . 1 26 26 ILE CG2 C 13 16.917 0.122 . 1 . . 690 . A 26 ILE CG2 . 31035 1 223 . 1 . 1 26 26 ILE CD1 C 13 13.737 0.012 . 1 . . 389 . A 26 ILE CD1 . 31035 1 224 . 1 . 1 26 26 ILE N N 15 124.273 0.016 . 1 . . 104 . A 26 ILE N . 31035 1 225 . 1 . 1 27 27 THR H H 1 8.570 0.004 . 1 . . 201 . A 27 THR H . 31035 1 226 . 1 . 1 27 27 THR HA H 1 4.386 0.001 . 1 . . 499 . A 27 THR HA . 31035 1 227 . 1 . 1 27 27 THR HB H 1 4.273 0.002 . 1 . . 381 . A 27 THR HB . 31035 1 228 . 1 . 1 27 27 THR HG21 H 1 1.194 0.006 . 1 . . 700 . A 27 THR HG21 . 31035 1 229 . 1 . 1 27 27 THR HG22 H 1 1.194 0.006 . 1 . . 700 . A 27 THR HG22 . 31035 1 230 . 1 . 1 27 27 THR HG23 H 1 1.194 0.006 . 1 . . 700 . A 27 THR HG23 . 31035 1 231 . 1 . 1 27 27 THR CA C 13 61.889 0.165 . 1 . . 500 . A 27 THR CA . 31035 1 232 . 1 . 1 27 27 THR CB C 13 69.762 0.029 . 1 . . 1156 . A 27 THR CB . 31035 1 233 . 1 . 1 27 27 THR CG2 C 13 21.591 0.018 . 1 . . 699 . A 27 THR CG2 . 31035 1 234 . 1 . 1 27 27 THR N N 15 118.457 0.043 . 1 . . 202 . A 27 THR N . 31035 1 235 . 1 . 1 28 28 THR H H 1 7.748 0.001 . 1 . . 275 . A 28 THR H . 31035 1 236 . 1 . 1 28 28 THR N N 15 115.192 0.043 . 1 . . 276 . A 28 THR N . 31035 1 237 . 1 . 1 29 29 ILE HA H 1 4.013 0.003 . 1 . . 695 . A 29 ILE HA . 31035 1 238 . 1 . 1 29 29 ILE HB H 1 1.880 0.004 . 1 . . 696 . A 29 ILE HB . 31035 1 239 . 1 . 1 29 29 ILE HG12 H 1 1.362 0.002 . 2 . . 698 . A 29 ILE HG12 . 31035 1 240 . 1 . 1 29 29 ILE HG13 H 1 1.184 0.003 . 2 . . 1012 . A 29 ILE HG13 . 31035 1 241 . 1 . 1 29 29 ILE HG21 H 1 0.668 0.001 . 1 . . 697 . A 29 ILE HG21 . 31035 1 242 . 1 . 1 29 29 ILE HG22 H 1 0.668 0.001 . 1 . . 697 . A 29 ILE HG22 . 31035 1 243 . 1 . 1 29 29 ILE HG23 H 1 0.668 0.001 . 1 . . 697 . A 29 ILE HG23 . 31035 1 244 . 1 . 1 29 29 ILE HD11 H 1 0.625 0.003 . 1 . . 1013 . A 29 ILE HD11 . 31035 1 245 . 1 . 1 29 29 ILE HD12 H 1 0.625 0.003 . 1 . . 1013 . A 29 ILE HD12 . 31035 1 246 . 1 . 1 29 29 ILE HD13 H 1 0.625 0.003 . 1 . . 1013 . A 29 ILE HD13 . 31035 1 247 . 1 . 1 29 29 ILE CA C 13 60.281 0.047 . 1 . . 691 . A 29 ILE CA . 31035 1 248 . 1 . 1 29 29 ILE CB C 13 37.035 0.054 . 1 . . 1006 . A 29 ILE CB . 31035 1 249 . 1 . 1 29 29 ILE CG1 C 13 26.721 0.056 . 1 . . 692 . A 29 ILE CG1 . 31035 1 250 . 1 . 1 29 29 ILE CG2 C 13 16.909 0.115 . 1 . . 693 . A 29 ILE CG2 . 31035 1 251 . 1 . 1 29 29 ILE CD1 C 13 11.748 0.097 . 1 . . 694 . A 29 ILE CD1 . 31035 1 252 . 1 . 1 30 30 ASN H H 1 8.795 0.002 . 1 . . 113 . A 30 ASN H . 31035 1 253 . 1 . 1 30 30 ASN HA H 1 4.784 0.009 . 1 . . 701 . A 30 ASN HA . 31035 1 254 . 1 . 1 30 30 ASN HB2 H 1 2.951 0.003 . 2 . . 702 . A 30 ASN HB2 . 31035 1 255 . 1 . 1 30 30 ASN HB3 H 1 2.881 0.002 . 2 . . 1014 . A 30 ASN HB3 . 31035 1 256 . 1 . 1 30 30 ASN CA C 13 52.033 0.2 . 1 . . 311 . A 30 ASN CA . 31035 1 257 . 1 . 1 30 30 ASN CB C 13 39.230 0.054 . 1 . . 312 . A 30 ASN CB . 31035 1 258 . 1 . 1 30 30 ASN N N 15 126.169 0.027 . 1 . . 114 . A 30 ASN N . 31035 1 259 . 1 . 1 31 31 THR H H 1 8.169 0.002 . 1 . . 101 . A 31 THR H . 31035 1 260 . 1 . 1 31 31 THR HA H 1 4.237 0.003 . 1 . . 704 . A 31 THR HA . 31035 1 261 . 1 . 1 31 31 THR HB H 1 4.511 0.001 . 1 . . 438 . A 31 THR HB . 31035 1 262 . 1 . 1 31 31 THR HG21 H 1 1.126 0.001 . 1 . . 1016 . A 31 THR HG21 . 31035 1 263 . 1 . 1 31 31 THR HG22 H 1 1.126 0.001 . 1 . . 1016 . A 31 THR HG22 . 31035 1 264 . 1 . 1 31 31 THR HG23 H 1 1.126 0.001 . 1 . . 1016 . A 31 THR HG23 . 31035 1 265 . 1 . 1 31 31 THR CA C 13 62.071 0.001 . 1 . . 703 . A 31 THR CA . 31035 1 266 . 1 . 1 31 31 THR CB C 13 68.401 0.053 . 1 . . 439 . A 31 THR CB . 31035 1 267 . 1 . 1 31 31 THR CG2 C 13 22.019 0.032 . 1 . . 1015 . A 31 THR CG2 . 31035 1 268 . 1 . 1 31 31 THR N N 15 110.659 0.006 . 1 . . 102 . A 31 THR N . 31035 1 269 . 1 . 1 32 32 GLN H H 1 8.054 0.001 . 1 . . 183 . A 32 GLN H . 31035 1 270 . 1 . 1 32 32 GLN HA H 1 4.463 0.002 . 1 . . 705 . A 32 GLN HA . 31035 1 271 . 1 . 1 32 32 GLN HB2 H 1 2.269 0.001 . 2 . . 450 . A 32 GLN HB2 . 31035 1 272 . 1 . 1 32 32 GLN HB3 H 1 1.945 0.003 . 2 . . 707 . A 32 GLN HB3 . 31035 1 273 . 1 . 1 32 32 GLN HG2 H 1 2.309 0.001 . 1 . . 706 . A 32 GLN HG2 . 31035 1 274 . 1 . 1 32 32 GLN HG3 H 1 2.309 0.001 . 1 . . 1157 . A 32 GLN HG3 . 31035 1 275 . 1 . 1 32 32 GLN CA C 13 55.682 0.047 . 1 . . 708 . A 32 GLN CA . 31035 1 276 . 1 . 1 32 32 GLN CB C 13 29.077 0.079 . 1 . . 984 . A 32 GLN CB . 31035 1 277 . 1 . 1 32 32 GLN CG C 13 34.219 0.132 . 1 . . 709 . A 32 GLN CG . 31035 1 278 . 1 . 1 32 32 GLN N N 15 119.783 0.011 . 1 . . 184 . A 32 GLN N . 31035 1 279 . 1 . 1 33 33 GLY H H 1 7.913 0.005 . 1 . . 163 . A 33 GLY H . 31035 1 280 . 1 . 1 33 33 GLY N N 15 107.762 0.028 . 1 . . 164 . A 33 GLY N . 31035 1 281 . 1 . 1 34 34 ARG HA H 1 3.812 0.004 . 1 . . 715 . A 34 ARG HA . 31035 1 282 . 1 . 1 34 34 ARG HB2 H 1 1.433 0.005 . 2 . . 717 . A 34 ARG HB2 . 31035 1 283 . 1 . 1 34 34 ARG HB3 H 1 1.093 0.005 . 2 . . 718 . A 34 ARG HB3 . 31035 1 284 . 1 . 1 34 34 ARG HG2 H 1 0.782 0.01 . 2 . . 719 . A 34 ARG HG2 . 31035 1 285 . 1 . 1 34 34 ARG HG3 H 1 0.593 0.008 . 2 . . 720 . A 34 ARG HG3 . 31035 1 286 . 1 . 1 34 34 ARG HD2 H 1 2.317 0.018 . 2 . . 716 . A 34 ARG HD2 . 31035 1 287 . 1 . 1 34 34 ARG HD3 H 1 2.245 0.005 . 2 . . 1017 . A 34 ARG HD3 . 31035 1 288 . 1 . 1 34 34 ARG CA C 13 58.942 0.051 . 1 . . 721 . A 34 ARG CA . 31035 1 289 . 1 . 1 34 34 ARG CB C 13 30.246 0.053 . 1 . . 723 . A 34 ARG CB . 31035 1 290 . 1 . 1 34 34 ARG CG C 13 25.505 0.143 . 1 . . 724 . A 34 ARG CG . 31035 1 291 . 1 . 1 34 34 ARG CD C 13 42.896 0.102 . 1 . . 722 . A 34 ARG CD . 31035 1 292 . 1 . 1 35 35 PHE H H 1 8.516 0.002 . 1 . . 255 . A 35 PHE H . 31035 1 293 . 1 . 1 35 35 PHE HA H 1 5.016 0.004 . 1 . . 714 . A 35 PHE HA . 31035 1 294 . 1 . 1 35 35 PHE HB2 H 1 3.405 0.005 . 2 . . 712 . A 35 PHE HB2 . 31035 1 295 . 1 . 1 35 35 PHE HB3 H 1 3.072 0.005 . 2 . . 713 . A 35 PHE HB3 . 31035 1 296 . 1 . 1 35 35 PHE CA C 13 55.037 0.029 . 1 . . 710 . A 35 PHE CA . 31035 1 297 . 1 . 1 35 35 PHE CB C 13 38.531 0.061 . 1 . . 711 . A 35 PHE CB . 31035 1 298 . 1 . 1 35 35 PHE N N 15 114.896 0.035 . 1 . . 256 . A 35 PHE N . 31035 1 299 . 1 . 1 36 36 GLY H H 1 7.758 0.002 . 1 . . 24 . A 36 GLY H . 31035 1 300 . 1 . 1 36 36 GLY HA2 H 1 3.777 0.003 . 1 . . 725 . A 36 GLY HA2 . 31035 1 301 . 1 . 1 36 36 GLY CA C 13 47.628 0.046 . 1 . . 294 . A 36 GLY CA . 31035 1 302 . 1 . 1 36 36 GLY N N 15 109.564 0.032 . 1 . . 25 . A 36 GLY N . 31035 1 303 . 1 . 1 38 38 PHE HA H 1 5.176 0.002 . 1 . . 1442 . A 38 PHE HA . 31035 1 304 . 1 . 1 38 38 PHE HB2 H 1 2.528 0.001 . 2 . . 1447 . A 38 PHE HB2 . 31035 1 305 . 1 . 1 38 38 PHE HB3 H 1 3.258 0.007 . 2 . . 1448 . A 38 PHE HB3 . 31035 1 306 . 1 . 1 38 38 PHE CA C 13 57.563 0.083 . 1 . . 1445 . A 38 PHE CA . 31035 1 307 . 1 . 1 38 38 PHE CB C 13 40.766 0.043 . 1 . . 1446 . A 38 PHE CB . 31035 1 308 . 1 . 1 39 39 LEU H H 1 8.222 0.003 . 1 . . 1443 . A 39 LEU H . 31035 1 309 . 1 . 1 39 39 LEU HA H 1 4.761 0.003 . 1 . . 1432 . A 39 LEU HA . 31035 1 310 . 1 . 1 39 39 LEU HB2 H 1 0.691 0.004 . 2 . . 1434 . A 39 LEU HB2 . 31035 1 311 . 1 . 1 39 39 LEU HB3 H 1 1.387 0.004 . 2 . . 1435 . A 39 LEU HB3 . 31035 1 312 . 1 . 1 39 39 LEU HG H 1 1.306 0.001 . 1 . . 1437 . A 39 LEU HG . 31035 1 313 . 1 . 1 39 39 LEU HD11 H 1 0.375 0.002 . 2 . . 1439 . A 39 LEU HD11 . 31035 1 314 . 1 . 1 39 39 LEU HD12 H 1 0.375 0.002 . 2 . . 1439 . A 39 LEU HD12 . 31035 1 315 . 1 . 1 39 39 LEU HD13 H 1 0.375 0.002 . 2 . . 1439 . A 39 LEU HD13 . 31035 1 316 . 1 . 1 39 39 LEU HD21 H 1 0.589 0.001 . 2 . . 1441 . A 39 LEU HD21 . 31035 1 317 . 1 . 1 39 39 LEU HD22 H 1 0.589 0.001 . 2 . . 1441 . A 39 LEU HD22 . 31035 1 318 . 1 . 1 39 39 LEU HD23 H 1 0.589 0.001 . 2 . . 1441 . A 39 LEU HD23 . 31035 1 319 . 1 . 1 39 39 LEU CA C 13 53.111 0.036 . 1 . . 1431 . A 39 LEU CA . 31035 1 320 . 1 . 1 39 39 LEU CB C 13 46.583 0.031 . 1 . . 1433 . A 39 LEU CB . 31035 1 321 . 1 . 1 39 39 LEU CG C 13 27.526 0.005 . 1 . . 1436 . A 39 LEU CG . 31035 1 322 . 1 . 1 39 39 LEU CD1 C 13 24.344 0.014 . 2 . . 1438 . A 39 LEU CD1 . 31035 1 323 . 1 . 1 39 39 LEU CD2 C 13 23.062 0.028 . 2 . . 1440 . A 39 LEU CD2 . 31035 1 324 . 1 . 1 39 39 LEU N N 15 119.572 0.043 . 1 . . 1444 . A 39 LEU N . 31035 1 325 . 1 . 1 40 40 CYS H H 1 8.883 0.002 . 1 . . 7 . A 40 CYS H . 31035 1 326 . 1 . 1 40 40 CYS HA H 1 5.296 0.004 . 1 . . 726 . A 40 CYS HA . 31035 1 327 . 1 . 1 40 40 CYS HB2 H 1 2.951 0.004 . 2 . . 727 . A 40 CYS HB2 . 31035 1 328 . 1 . 1 40 40 CYS HB3 H 1 2.954 0.001 . 2 . . 1412 . A 40 CYS HB3 . 31035 1 329 . 1 . 1 40 40 CYS CA C 13 59.073 0.037 . 1 . . 293 . A 40 CYS CA . 31035 1 330 . 1 . 1 40 40 CYS CB C 13 28.135 0.07 . 1 . . 351 . A 40 CYS CB . 31035 1 331 . 1 . 1 40 40 CYS N N 15 119.458 0.011 . 1 . . 8 . A 40 CYS N . 31035 1 332 . 1 . 1 41 41 PHE H H 1 10.063 0.003 . 1 . . 34 . A 41 PHE H . 31035 1 333 . 1 . 1 41 41 PHE HA H 1 5.494 0.005 . 1 . . 1414 . A 41 PHE HA . 31035 1 334 . 1 . 1 41 41 PHE HB2 H 1 2.966 0.001 . 1 . . 1018 . A 41 PHE HB2 . 31035 1 335 . 1 . 1 41 41 PHE HB3 H 1 2.966 0.001 . 1 . . 1413 . A 41 PHE HB3 . 31035 1 336 . 1 . 1 41 41 PHE CA C 13 56.567 0.032 . 1 . . 349 . A 41 PHE CA . 31035 1 337 . 1 . 1 41 41 PHE CB C 13 44.832 0.07 . 1 . . 350 . A 41 PHE CB . 31035 1 338 . 1 . 1 41 41 PHE N N 15 127.305 0.044 . 1 . . 35 . A 41 PHE N . 31035 1 339 . 1 . 1 42 42 ALA H H 1 9.832 0.005 . 1 . . 97 . A 42 ALA H . 31035 1 340 . 1 . 1 42 42 ALA HA H 1 5.190 0.003 . 1 . . 729 . A 42 ALA HA . 31035 1 341 . 1 . 1 42 42 ALA HB1 H 1 1.784 0.003 . 1 . . 1158 . A 42 ALA HB1 . 31035 1 342 . 1 . 1 42 42 ALA HB2 H 1 1.784 0.003 . 1 . . 1158 . A 42 ALA HB2 . 31035 1 343 . 1 . 1 42 42 ALA HB3 H 1 1.784 0.003 . 1 . . 1158 . A 42 ALA HB3 . 31035 1 344 . 1 . 1 42 42 ALA CA C 13 51.359 0.049 . 1 . . 305 . A 42 ALA CA . 31035 1 345 . 1 . 1 42 42 ALA CB C 13 23.265 0.03 . 1 . . 306 . A 42 ALA CB . 31035 1 346 . 1 . 1 42 42 ALA N N 15 122.575 0.017 . 1 . . 98 . A 42 ALA N . 31035 1 347 . 1 . 1 43 43 ALA H H 1 9.273 0.004 . 1 . . 58 . A 43 ALA H . 31035 1 348 . 1 . 1 43 43 ALA HA H 1 4.782 0.001 . 1 . . 563 . A 43 ALA HA . 31035 1 349 . 1 . 1 43 43 ALA HB1 H 1 1.729 0.003 . 1 . . 728 . A 43 ALA HB1 . 31035 1 350 . 1 . 1 43 43 ALA HB2 H 1 1.729 0.003 . 1 . . 728 . A 43 ALA HB2 . 31035 1 351 . 1 . 1 43 43 ALA HB3 H 1 1.729 0.003 . 1 . . 728 . A 43 ALA HB3 . 31035 1 352 . 1 . 1 43 43 ALA CA C 13 53.422 0.019 . 1 . . 562 . A 43 ALA CA . 31035 1 353 . 1 . 1 43 43 ALA CB C 13 19.926 0.023 . 1 . . 1007 . A 43 ALA CB . 31035 1 354 . 1 . 1 43 43 ALA N N 15 122.048 0.051 . 1 . . 59 . A 43 ALA N . 31035 1 355 . 1 . 1 45 45 GLU H H 1 8.023 . . 1 . . 245 . A 45 GLU H . 31035 1 356 . 1 . 1 45 45 GLU N N 15 112.878 . . 1 . . 246 . A 45 GLU N . 31035 1 357 . 1 . 1 46 46 TYR H H 1 8.098 0.009 . 1 . . 287 . A 46 TYR H . 31035 1 358 . 1 . 1 46 46 TYR HA H 1 4.465 0.0 . 1 . . 1417 . A 46 TYR HA . 31035 1 359 . 1 . 1 46 46 TYR HB2 H 1 2.868 0.001 . 2 . . 1415 . A 46 TYR HB2 . 31035 1 360 . 1 . 1 46 46 TYR HB3 H 1 3.038 0.001 . 2 . . 1416 . A 46 TYR HB3 . 31035 1 361 . 1 . 1 46 46 TYR CA C 13 57.831 0.001 . 1 . . 1418 . A 46 TYR CA . 31035 1 362 . 1 . 1 46 46 TYR CB C 13 38.404 0.037 . 1 . . 340 . A 46 TYR CB . 31035 1 363 . 1 . 1 46 46 TYR N N 15 120.925 . . 1 . . 288 . A 46 TYR N . 31035 1 364 . 1 . 1 47 47 VAL H H 1 7.674 0.002 . 1 . . 239 . A 47 VAL H . 31035 1 365 . 1 . 1 47 47 VAL HA H 1 3.905 0.0 . 1 . . 1419 . A 47 VAL HA . 31035 1 366 . 1 . 1 47 47 VAL HB H 1 1.927 0.0 . 1 . . 1420 . A 47 VAL HB . 31035 1 367 . 1 . 1 47 47 VAL HG11 H 1 0.773 0.001 . 2 . . 1421 . A 47 VAL HG11 . 31035 1 368 . 1 . 1 47 47 VAL HG12 H 1 0.773 0.001 . 2 . . 1421 . A 47 VAL HG12 . 31035 1 369 . 1 . 1 47 47 VAL HG13 H 1 0.773 0.001 . 2 . . 1421 . A 47 VAL HG13 . 31035 1 370 . 1 . 1 47 47 VAL HG21 H 1 0.818 0.001 . 2 . . 1422 . A 47 VAL HG21 . 31035 1 371 . 1 . 1 47 47 VAL HG22 H 1 0.818 0.001 . 2 . . 1422 . A 47 VAL HG22 . 31035 1 372 . 1 . 1 47 47 VAL HG23 H 1 0.818 0.001 . 2 . . 1422 . A 47 VAL HG23 . 31035 1 373 . 1 . 1 47 47 VAL CA C 13 62.690 0.029 . 1 . . 331 . A 47 VAL CA . 31035 1 374 . 1 . 1 47 47 VAL CB C 13 32.503 0.059 . 1 . . 332 . A 47 VAL CB . 31035 1 375 . 1 . 1 47 47 VAL CG1 C 13 21.054 0.009 . 2 . . 1423 . A 47 VAL CG1 . 31035 1 376 . 1 . 1 47 47 VAL CG2 C 13 20.889 0.012 . 2 . . 1424 . A 47 VAL CG2 . 31035 1 377 . 1 . 1 47 47 VAL N N 15 121.416 0.012 . 1 . . 240 . A 47 VAL N . 31035 1 378 . 1 . 1 48 48 MET H H 1 8.197 0.003 . 1 . . 16 . A 48 MET H . 31035 1 379 . 1 . 1 48 48 MET HA H 1 4.436 0.003 . 1 . . 1427 . A 48 MET HA . 31035 1 380 . 1 . 1 48 48 MET HB2 H 1 1.884 0.002 . 2 . . 1425 . A 48 MET HB2 . 31035 1 381 . 1 . 1 48 48 MET HB3 H 1 1.997 0.003 . 2 . . 1426 . A 48 MET HB3 . 31035 1 382 . 1 . 1 48 48 MET HG2 H 1 2.419 0.001 . 2 . . 1429 . A 48 MET HG2 . 31035 1 383 . 1 . 1 48 48 MET HG3 H 1 2.476 0.001 . 2 . . 1430 . A 48 MET HG3 . 31035 1 384 . 1 . 1 48 48 MET CA C 13 55.575 0.022 . 1 . . 362 . A 48 MET CA . 31035 1 385 . 1 . 1 48 48 MET CB C 13 32.766 0.078 . 1 . . 985 . A 48 MET CB . 31035 1 386 . 1 . 1 48 48 MET CG C 13 32.108 0.002 . 1 . . 1428 . A 48 MET CG . 31035 1 387 . 1 . 1 48 48 MET N N 15 123.414 0.028 . 1 . . 17 . A 48 MET N . 31035 1 388 . 1 . 1 49 49 THR H H 1 7.906 0.002 . 1 . . 117 . A 49 THR H . 31035 1 389 . 1 . 1 49 49 THR HA H 1 4.245 0.002 . 1 . . 1203 . A 49 THR HA . 31035 1 390 . 1 . 1 49 49 THR HB H 1 4.068 0.005 . 1 . . 1019 . A 49 THR HB . 31035 1 391 . 1 . 1 49 49 THR HG21 H 1 1.072 0.004 . 1 . . 1202 . A 49 THR HG21 . 31035 1 392 . 1 . 1 49 49 THR HG22 H 1 1.072 0.004 . 1 . . 1202 . A 49 THR HG22 . 31035 1 393 . 1 . 1 49 49 THR HG23 H 1 1.072 0.004 . 1 . . 1202 . A 49 THR HG23 . 31035 1 394 . 1 . 1 49 49 THR CA C 13 61.755 0.066 . 1 . . 576 . A 49 THR CA . 31035 1 395 . 1 . 1 49 49 THR CB C 13 69.926 0.151 . 1 . . 1009 . A 49 THR CB . 31035 1 396 . 1 . 1 49 49 THR CG2 C 13 21.523 0.007 . 1 . . 1201 . A 49 THR CG2 . 31035 1 397 . 1 . 1 49 49 THR N N 15 114.811 0.045 . 1 . . 118 . A 49 THR N . 31035 1 398 . 1 . 1 50 50 ALA H H 1 8.114 0.002 . 1 . . 229 . A 50 ALA H . 31035 1 399 . 1 . 1 50 50 ALA HA H 1 4.337 0.004 . 1 . . 732 . A 50 ALA HA . 31035 1 400 . 1 . 1 50 50 ALA HB1 H 1 1.297 0.006 . 1 . . 731 . A 50 ALA HB1 . 31035 1 401 . 1 . 1 50 50 ALA HB2 H 1 1.297 0.006 . 1 . . 731 . A 50 ALA HB2 . 31035 1 402 . 1 . 1 50 50 ALA HB3 H 1 1.297 0.006 . 1 . . 731 . A 50 ALA HB3 . 31035 1 403 . 1 . 1 50 50 ALA CA C 13 52.389 0.087 . 1 . . 330 . A 50 ALA CA . 31035 1 404 . 1 . 1 50 50 ALA CB C 13 19.380 0.171 . 1 . . 730 . A 50 ALA CB . 31035 1 405 . 1 . 1 50 50 ALA N N 15 125.802 0.035 . 1 . . 230 . A 50 ALA N . 31035 1 406 . 1 . 1 51 51 GLY H H 1 8.266 0.003 . 1 . . 223 . A 51 GLY H . 31035 1 407 . 1 . 1 51 51 GLY HA2 H 1 3.870 0.009 . 2 . . 733 . A 51 GLY HA2 . 31035 1 408 . 1 . 1 51 51 GLY HA3 H 1 4.052 0.006 . 2 . . 734 . A 51 GLY HA3 . 31035 1 409 . 1 . 1 51 51 GLY CA C 13 45.142 0.016 . 1 . . 328 . A 51 GLY CA . 31035 1 410 . 1 . 1 51 51 GLY N N 15 108.224 0.006 . 1 . . 224 . A 51 GLY N . 31035 1 411 . 1 . 1 52 52 ASP H H 1 8.339 0.015 . 1 . . 217 . A 52 ASP H . 31035 1 412 . 1 . 1 52 52 ASP HA H 1 4.606 0.004 . 1 . . 736 . A 52 ASP HA . 31035 1 413 . 1 . 1 52 52 ASP HB2 H 1 2.627 0.0 . 1 . . 737 . A 52 ASP HB2 . 31035 1 414 . 1 . 1 52 52 ASP CA C 13 54.102 0.125 . 1 . . 326 . A 52 ASP CA . 31035 1 415 . 1 . 1 52 52 ASP CB C 13 40.527 0.091 . 1 . . 735 . A 52 ASP CB . 31035 1 416 . 1 . 1 52 52 ASP N N 15 120.342 0.145 . 1 . . 218 . A 52 ASP N . 31035 1 417 . 1 . 1 53 53 HIS H H 1 7.773 0.008 . 1 . . 125 . A 53 HIS H . 31035 1 418 . 1 . 1 53 53 HIS HA H 1 4.779 0.009 . 1 . . 738 . A 53 HIS HA . 31035 1 419 . 1 . 1 53 53 HIS HB2 H 1 3.021 0.011 . 2 . . 739 . A 53 HIS HB2 . 31035 1 420 . 1 . 1 53 53 HIS HB3 H 1 2.884 0.005 . 2 . . 740 . A 53 HIS HB3 . 31035 1 421 . 1 . 1 53 53 HIS CA C 13 55.742 0.096 . 1 . . 741 . A 53 HIS CA . 31035 1 422 . 1 . 1 53 53 HIS CB C 13 31.688 0.079 . 1 . . 339 . A 53 HIS CB . 31035 1 423 . 1 . 1 53 53 HIS N N 15 117.595 0.033 . 1 . . 126 . A 53 HIS N . 31035 1 424 . 1 . 1 54 54 VAL H H 1 8.982 0.003 . 1 . . 111 . A 54 VAL H . 31035 1 425 . 1 . 1 54 54 VAL HA H 1 4.225 0.007 . 1 . . 742 . A 54 VAL HA . 31035 1 426 . 1 . 1 54 54 VAL HB H 1 1.877 0.009 . 1 . . 1020 . A 54 VAL HB . 31035 1 427 . 1 . 1 54 54 VAL HG11 H 1 0.682 0.003 . 2 . . 743 . A 54 VAL HG11 . 31035 1 428 . 1 . 1 54 54 VAL HG12 H 1 0.682 0.003 . 2 . . 743 . A 54 VAL HG12 . 31035 1 429 . 1 . 1 54 54 VAL HG13 H 1 0.682 0.003 . 2 . . 743 . A 54 VAL HG13 . 31035 1 430 . 1 . 1 54 54 VAL HG21 H 1 0.725 0.001 . 2 . . 1198 . A 54 VAL HG21 . 31035 1 431 . 1 . 1 54 54 VAL HG22 H 1 0.725 0.001 . 2 . . 1198 . A 54 VAL HG22 . 31035 1 432 . 1 . 1 54 54 VAL HG23 H 1 0.725 0.001 . 2 . . 1198 . A 54 VAL HG23 . 31035 1 433 . 1 . 1 54 54 VAL CA C 13 61.534 0.086 . 1 . . 309 . A 54 VAL CA . 31035 1 434 . 1 . 1 54 54 VAL CB C 13 33.766 0.026 . 1 . . 310 . A 54 VAL CB . 31035 1 435 . 1 . 1 54 54 VAL CG1 C 13 21.449 0.049 . 2 . . 1200 . A 54 VAL CG1 . 31035 1 436 . 1 . 1 54 54 VAL CG2 C 13 20.778 0.023 . 2 . . 1199 . A 54 VAL CG2 . 31035 1 437 . 1 . 1 54 54 VAL N N 15 120.483 0.023 . 1 . . 112 . A 54 VAL N . 31035 1 438 . 1 . 1 55 55 THR H H 1 8.498 0.004 . 1 . . 271 . A 55 THR H . 31035 1 439 . 1 . 1 55 55 THR HA H 1 5.291 0.002 . 1 . . 744 . A 55 THR HA . 31035 1 440 . 1 . 1 55 55 THR HB H 1 3.798 0.005 . 1 . . 745 . A 55 THR HB . 31035 1 441 . 1 . 1 55 55 THR HG21 H 1 1.271 0.007 . 1 . . 504 . A 55 THR HG21 . 31035 1 442 . 1 . 1 55 55 THR HG22 H 1 1.271 0.007 . 1 . . 504 . A 55 THR HG22 . 31035 1 443 . 1 . 1 55 55 THR HG23 H 1 1.271 0.007 . 1 . . 504 . A 55 THR HG23 . 31035 1 444 . 1 . 1 55 55 THR CA C 13 62.037 0.083 . 1 . . 337 . A 55 THR CA . 31035 1 445 . 1 . 1 55 55 THR CB C 13 70.470 0.023 . 1 . . 338 . A 55 THR CB . 31035 1 446 . 1 . 1 55 55 THR CG2 C 13 22.781 0.068 . 1 . . 505 . A 55 THR CG2 . 31035 1 447 . 1 . 1 55 55 THR N N 15 121.292 0.024 . 1 . . 272 . A 55 THR N . 31035 1 448 . 1 . 1 56 56 TYR H H 1 9.683 0.004 . 1 . . 261 . A 56 TYR H . 31035 1 449 . 1 . 1 56 56 TYR HA H 1 5.531 0.001 . 1 . . 746 . A 56 TYR HA . 31035 1 450 . 1 . 1 56 56 TYR HB2 H 1 2.969 0.001 . 2 . . 747 . A 56 TYR HB2 . 31035 1 451 . 1 . 1 56 56 TYR HB3 H 1 2.812 0.002 . 2 . . 748 . A 56 TYR HB3 . 31035 1 452 . 1 . 1 56 56 TYR CA C 13 56.849 0.082 . 1 . . 334 . A 56 TYR CA . 31035 1 453 . 1 . 1 56 56 TYR CB C 13 44.083 0.028 . 1 . . 335 . A 56 TYR CB . 31035 1 454 . 1 . 1 56 56 TYR N N 15 125.107 0.019 . 1 . . 262 . A 56 TYR N . 31035 1 455 . 1 . 1 57 57 ARG H H 1 9.720 0.005 . 1 . . 215 . A 57 ARG H . 31035 1 456 . 1 . 1 57 57 ARG HA H 1 5.490 0.003 . 1 . . 749 . A 57 ARG HA . 31035 1 457 . 1 . 1 57 57 ARG HB2 H 1 1.534 0.003 . 2 . . 403 . A 57 ARG HB2 . 31035 1 458 . 1 . 1 57 57 ARG HB3 H 1 1.659 0.014 . 2 . . 751 . A 57 ARG HB3 . 31035 1 459 . 1 . 1 57 57 ARG HG2 H 1 1.142 0.005 . 2 . . 752 . A 57 ARG HG2 . 31035 1 460 . 1 . 1 57 57 ARG HG3 H 1 1.302 0.004 . 2 . . 1021 . A 57 ARG HG3 . 31035 1 461 . 1 . 1 57 57 ARG HD2 H 1 2.997 0.011 . 1 . . 750 . A 57 ARG HD2 . 31035 1 462 . 1 . 1 57 57 ARG CA C 13 53.851 0.103 . 1 . . 324 . A 57 ARG CA . 31035 1 463 . 1 . 1 57 57 ARG CB C 13 35.305 0.061 . 1 . . 404 . A 57 ARG CB . 31035 1 464 . 1 . 1 57 57 ARG CG C 13 26.231 0.14 . 1 . . 754 . A 57 ARG CG . 31035 1 465 . 1 . 1 57 57 ARG CD C 13 43.598 0.0 . 1 . . 753 . A 57 ARG CD . 31035 1 466 . 1 . 1 57 57 ARG N N 15 122.519 0.027 . 1 . . 216 . A 57 ARG N . 31035 1 467 . 1 . 1 58 58 ILE H H 1 8.349 0.002 . 1 . . 64 . A 58 ILE H . 31035 1 468 . 1 . 1 58 58 ILE HA H 1 4.781 0.009 . 1 . . 758 . A 58 ILE HA . 31035 1 469 . 1 . 1 58 58 ILE HB H 1 1.589 0.003 . 1 . . 759 . A 58 ILE HB . 31035 1 470 . 1 . 1 58 58 ILE HG12 H 1 0.719 0.004 . 2 . . 601 . A 58 ILE HG12 . 31035 1 471 . 1 . 1 58 58 ILE HG13 H 1 0.399 0.005 . 2 . . 760 . A 58 ILE HG13 . 31035 1 472 . 1 . 1 58 58 ILE HG21 H 1 0.603 0.001 . 1 . . 1022 . A 58 ILE HG21 . 31035 1 473 . 1 . 1 58 58 ILE HG22 H 1 0.603 0.001 . 1 . . 1022 . A 58 ILE HG22 . 31035 1 474 . 1 . 1 58 58 ILE HG23 H 1 0.603 0.001 . 1 . . 1022 . A 58 ILE HG23 . 31035 1 475 . 1 . 1 58 58 ILE HD11 H 1 0.040 0.005 . 1 . . 761 . A 58 ILE HD11 . 31035 1 476 . 1 . 1 58 58 ILE HD12 H 1 0.040 0.005 . 1 . . 761 . A 58 ILE HD12 . 31035 1 477 . 1 . 1 58 58 ILE HD13 H 1 0.040 0.005 . 1 . . 761 . A 58 ILE HD13 . 31035 1 478 . 1 . 1 58 58 ILE CA C 13 60.017 0.058 . 1 . . 986 . A 58 ILE CA . 31035 1 479 . 1 . 1 58 58 ILE CB C 13 42.449 0.072 . 1 . . 987 . A 58 ILE CB . 31035 1 480 . 1 . 1 58 58 ILE CG1 C 13 26.027 0.05 . 1 . . 757 . A 58 ILE CG1 . 31035 1 481 . 1 . 1 58 58 ILE CG2 C 13 17.230 0.123 . 1 . . 756 . A 58 ILE CG2 . 31035 1 482 . 1 . 1 58 58 ILE CD1 C 13 14.596 0.072 . 1 . . 755 . A 58 ILE CD1 . 31035 1 483 . 1 . 1 58 58 ILE N N 15 117.265 0.021 . 1 . . 65 . A 58 ILE N . 31035 1 484 . 1 . 1 59 59 LYS H H 1 7.726 0.001 . 1 . . 237 . A 59 LYS H . 31035 1 485 . 1 . 1 59 59 LYS HA H 1 5.329 0.001 . 1 . . 494 . A 59 LYS HA . 31035 1 486 . 1 . 1 59 59 LYS HB2 H 1 1.408 0.001 . 1 . . 491 . A 59 LYS HB2 . 31035 1 487 . 1 . 1 59 59 LYS HG2 H 1 1.120 0.006 . 2 . . 763 . A 59 LYS HG2 . 31035 1 488 . 1 . 1 59 59 LYS HG3 H 1 1.297 0.006 . 2 . . 1023 . A 59 LYS HG3 . 31035 1 489 . 1 . 1 59 59 LYS HD2 H 1 1.543 0.005 . 2 . . 476 . A 59 LYS HD2 . 31035 1 490 . 1 . 1 59 59 LYS HD3 H 1 1.357 . . 2 . . 762 . A 59 LYS HD3 . 31035 1 491 . 1 . 1 59 59 LYS HE2 H 1 2.803 0.004 . 1 . . 496 . A 59 LYS HE2 . 31035 1 492 . 1 . 1 59 59 LYS CA C 13 54.470 0.05 . 1 . . 495 . A 59 LYS CA . 31035 1 493 . 1 . 1 59 59 LYS CB C 13 34.744 0.066 . 1 . . 477 . A 59 LYS CB . 31035 1 494 . 1 . 1 59 59 LYS CG C 13 25.376 0.149 . 1 . . 1024 . A 59 LYS CG . 31035 1 495 . 1 . 1 59 59 LYS CD C 13 29.598 0.089 . 1 . . 764 . A 59 LYS CD . 31035 1 496 . 1 . 1 59 59 LYS CE C 13 41.980 0.033 . 1 . . 497 . A 59 LYS CE . 31035 1 497 . 1 . 1 59 59 LYS N N 15 119.232 0.019 . 1 . . 238 . A 59 LYS N . 31035 1 498 . 1 . 1 60 60 VAL H H 1 8.443 0.002 . 1 . . 36 . A 60 VAL H . 31035 1 499 . 1 . 1 60 60 VAL HA H 1 4.378 0.002 . 1 . . 413 . A 60 VAL HA . 31035 1 500 . 1 . 1 60 60 VAL HB H 1 1.727 0.004 . 1 . . 768 . A 60 VAL HB . 31035 1 501 . 1 . 1 60 60 VAL HG11 H 1 0.437 0.004 . 2 . . 769 . A 60 VAL HG11 . 31035 1 502 . 1 . 1 60 60 VAL HG12 H 1 0.437 0.004 . 2 . . 769 . A 60 VAL HG12 . 31035 1 503 . 1 . 1 60 60 VAL HG13 H 1 0.437 0.004 . 2 . . 769 . A 60 VAL HG13 . 31035 1 504 . 1 . 1 60 60 VAL HG21 H 1 0.475 0.003 . 2 . . 1025 . A 60 VAL HG21 . 31035 1 505 . 1 . 1 60 60 VAL HG22 H 1 0.475 0.003 . 2 . . 1025 . A 60 VAL HG22 . 31035 1 506 . 1 . 1 60 60 VAL HG23 H 1 0.475 0.003 . 2 . . 1025 . A 60 VAL HG23 . 31035 1 507 . 1 . 1 60 60 VAL CA C 13 59.047 0.059 . 1 . . 414 . A 60 VAL CA . 31035 1 508 . 1 . 1 60 60 VAL CB C 13 35.625 0.105 . 1 . . 765 . A 60 VAL CB . 31035 1 509 . 1 . 1 60 60 VAL CG1 C 13 19.592 0.195 . 2 . . 767 . A 60 VAL CG1 . 31035 1 510 . 1 . 1 60 60 VAL CG2 C 13 21.055 0.163 . 2 . . 766 . A 60 VAL CG2 . 31035 1 511 . 1 . 1 60 60 VAL N N 15 118.044 0.022 . 1 . . 37 . A 60 VAL N . 31035 1 512 . 1 . 1 61 61 ASP H H 1 8.834 0.003 . 1 . . 72 . A 61 ASP H . 31035 1 513 . 1 . 1 61 61 ASP HA H 1 4.863 0.009 . 1 . . 771 . A 61 ASP HA . 31035 1 514 . 1 . 1 61 61 ASP HB2 H 1 2.444 0.006 . 2 . . 415 . A 61 ASP HB2 . 31035 1 515 . 1 . 1 61 61 ASP HB3 H 1 2.746 0.003 . 2 . . 770 . A 61 ASP HB3 . 31035 1 516 . 1 . 1 61 61 ASP CA C 13 53.938 0.022 . 1 . . 302 . A 61 ASP CA . 31035 1 517 . 1 . 1 61 61 ASP CB C 13 42.045 0.072 . 1 . . 416 . A 61 ASP CB . 31035 1 518 . 1 . 1 61 61 ASP N N 15 124.683 0.009 . 1 . . 73 . A 61 ASP N . 31035 1 519 . 1 . 1 62 62 GLU H H 1 8.893 0.004 . 1 . . 265 . A 62 GLU H . 31035 1 520 . 1 . 1 62 62 GLU HA H 1 3.783 0.005 . 1 . . 396 . A 62 GLU HA . 31035 1 521 . 1 . 1 62 62 GLU HB2 H 1 2.041 0.004 . 1 . . 775 . A 62 GLU HB2 . 31035 1 522 . 1 . 1 62 62 GLU HG2 H 1 2.277 0.008 . 1 . . 774 . A 62 GLU HG2 . 31035 1 523 . 1 . 1 62 62 GLU CA C 13 60.025 0.047 . 1 . . 397 . A 62 GLU CA . 31035 1 524 . 1 . 1 62 62 GLU CB C 13 29.985 . . 1 . . 772 . A 62 GLU CB . 31035 1 525 . 1 . 1 62 62 GLU CG C 13 36.815 . . 1 . . 773 . A 62 GLU CG . 31035 1 526 . 1 . 1 62 62 GLU N N 15 125.264 0.012 . 1 . . 266 . A 62 GLU N . 31035 1 527 . 1 . 1 63 63 SER H H 1 8.549 0.003 . 1 . . 235 . A 63 SER H . 31035 1 528 . 1 . 1 63 63 SER CA C 13 60.668 0.33 . 1 . . 988 . A 63 SER CA . 31035 1 529 . 1 . 1 63 63 SER CB C 13 63.115 0.038 . 1 . . 1005 . A 63 SER CB . 31035 1 530 . 1 . 1 63 63 SER N N 15 111.887 0.017 . 1 . . 236 . A 63 SER N . 31035 1 531 . 1 . 1 64 64 ASP H H 1 7.899 0.009 . 1 . . 9 . A 64 ASP H . 31035 1 532 . 1 . 1 64 64 ASP CA C 13 55.267 . . 1 . . 1196 . A 64 ASP CA . 31035 1 533 . 1 . 1 64 64 ASP CB C 13 41.387 . . 1 . . 1195 . A 64 ASP CB . 31035 1 534 . 1 . 1 64 64 ASP N N 15 121.107 0.06 . 1 . . 10 . A 64 ASP N . 31035 1 535 . 1 . 1 66 66 ILE H H 1 7.951 . . 1 . . 3 . A 66 ILE H . 31035 1 536 . 1 . 1 66 66 ILE N N 15 115.783 . . 1 . . 4 . A 66 ILE N . 31035 1 537 . 1 . 1 67 67 MET H H 1 6.797 . . 1 . . 88 . A 67 MET H . 31035 1 538 . 1 . 1 67 67 MET CA C 13 60.153 . . 1 . . 1187 . A 67 MET CA . 31035 1 539 . 1 . 1 67 67 MET CB C 13 31.891 . . 1 . . 344 . A 67 MET CB . 31035 1 540 . 1 . 1 67 67 MET N N 15 112.018 . . 1 . . 13 . A 67 MET N . 31035 1 541 . 1 . 1 68 68 ALA H H 1 8.293 0.016 . 1 . . 199 . A 68 ALA H . 31035 1 542 . 1 . 1 68 68 ALA CA C 13 55.766 0.007 . 1 . . 345 . A 68 ALA CA . 31035 1 543 . 1 . 1 68 68 ALA CB C 13 18.186 . . 1 . . 1450 . A 68 ALA CB . 31035 1 544 . 1 . 1 68 68 ALA N N 15 119.965 0.032 . 1 . . 200 . A 68 ALA N . 31035 1 545 . 1 . 1 69 69 GLY H H 1 8.508 0.005 . 1 . . 54 . A 69 GLY H . 31035 1 546 . 1 . 1 69 69 GLY HA2 H 1 4.182 0.005 . 2 . . 394 . A 69 GLY HA2 . 31035 1 547 . 1 . 1 69 69 GLY HA3 H 1 3.884 0.004 . 2 . . 400 . A 69 GLY HA3 . 31035 1 548 . 1 . 1 69 69 GLY CA C 13 46.608 0.074 . 1 . . 395 . A 69 GLY CA . 31035 1 549 . 1 . 1 69 69 GLY N N 15 98.837 0.057 . 1 . . 55 . A 69 GLY N . 31035 1 550 . 1 . 1 70 70 SER H H 1 8.167 0.032 . 1 . . 211 . A 70 SER H . 31035 1 551 . 1 . 1 70 70 SER HA H 1 4.481 0.004 . 1 . . 1027 . A 70 SER HA . 31035 1 552 . 1 . 1 70 70 SER HB2 H 1 3.831 0.016 . 1 . . 1026 . A 70 SER HB2 . 31035 1 553 . 1 . 1 70 70 SER CA C 13 58.706 0.188 . 1 . . 1028 . A 70 SER CA . 31035 1 554 . 1 . 1 70 70 SER CB C 13 64.037 0.124 . 1 . . 460 . A 70 SER CB . 31035 1 555 . 1 . 1 70 70 SER N N 15 115.730 0.643 . 1 . . 212 . A 70 SER N . 31035 1 556 . 1 . 1 71 71 ILE H H 1 7.452 0.006 . 1 . . 91 . A 71 ILE H . 31035 1 557 . 1 . 1 71 71 ILE HA H 1 3.240 0.005 . 1 . . 440 . A 71 ILE HA . 31035 1 558 . 1 . 1 71 71 ILE HB H 1 1.424 0.003 . 1 . . 409 . A 71 ILE HB . 31035 1 559 . 1 . 1 71 71 ILE HG12 H 1 1.817 0.01 . 2 . . 1033 . A 71 ILE HG12 . 31035 1 560 . 1 . 1 71 71 ILE HG13 H 1 0.579 0.005 . 2 . . 1034 . A 71 ILE HG13 . 31035 1 561 . 1 . 1 71 71 ILE HG21 H 1 -0.014 0.006 . 1 . . 1032 . A 71 ILE HG21 . 31035 1 562 . 1 . 1 71 71 ILE HG22 H 1 -0.014 0.006 . 1 . . 1032 . A 71 ILE HG22 . 31035 1 563 . 1 . 1 71 71 ILE HG23 H 1 -0.014 0.006 . 1 . . 1032 . A 71 ILE HG23 . 31035 1 564 . 1 . 1 71 71 ILE HD11 H 1 0.852 0.005 . 1 . . 1035 . A 71 ILE HD11 . 31035 1 565 . 1 . 1 71 71 ILE HD12 H 1 0.852 0.005 . 1 . . 1035 . A 71 ILE HD12 . 31035 1 566 . 1 . 1 71 71 ILE HD13 H 1 0.852 0.005 . 1 . . 1035 . A 71 ILE HD13 . 31035 1 567 . 1 . 1 71 71 ILE CA C 13 67.047 0.023 . 1 . . 441 . A 71 ILE CA . 31035 1 568 . 1 . 1 71 71 ILE CB C 13 38.674 0.031 . 1 . . 410 . A 71 ILE CB . 31035 1 569 . 1 . 1 71 71 ILE CG1 C 13 31.389 0.0 . 1 . . 1031 . A 71 ILE CG1 . 31035 1 570 . 1 . 1 71 71 ILE CG2 C 13 17.221 0.003 . 1 . . 1030 . A 71 ILE CG2 . 31035 1 571 . 1 . 1 71 71 ILE CD1 C 13 14.525 0.005 . 1 . . 1029 . A 71 ILE CD1 . 31035 1 572 . 1 . 1 71 71 ILE N N 15 123.989 0.037 . 1 . . 92 . A 71 ILE N . 31035 1 573 . 1 . 1 72 72 PHE H H 1 8.568 0.002 . 1 . . 74 . A 72 PHE H . 31035 1 574 . 1 . 1 72 72 PHE HA H 1 4.131 0.003 . 1 . . 530 . A 72 PHE HA . 31035 1 575 . 1 . 1 72 72 PHE HB2 H 1 3.192 0.008 . 2 . . 1037 . A 72 PHE HB2 . 31035 1 576 . 1 . 1 72 72 PHE HB3 H 1 2.536 0.006 . 2 . . 1038 . A 72 PHE HB3 . 31035 1 577 . 1 . 1 72 72 PHE CA C 13 61.093 0.069 . 1 . . 531 . A 72 PHE CA . 31035 1 578 . 1 . 1 72 72 PHE CB C 13 36.750 0.26 . 1 . . 1036 . A 72 PHE CB . 31035 1 579 . 1 . 1 72 72 PHE N N 15 110.586 0.007 . 1 . . 75 . A 72 PHE N . 31035 1 580 . 1 . 1 73 73 TYR H H 1 7.442 0.007 . 1 . . 78 . A 73 TYR H . 31035 1 581 . 1 . 1 73 73 TYR HA H 1 4.779 0.007 . 1 . . 442 . A 73 TYR HA . 31035 1 582 . 1 . 1 73 73 TYR HB2 H 1 3.398 0.009 . 2 . . 1040 . A 73 TYR HB2 . 31035 1 583 . 1 . 1 73 73 TYR HB3 H 1 2.892 0.008 . 2 . . 1041 . A 73 TYR HB3 . 31035 1 584 . 1 . 1 73 73 TYR CA C 13 56.641 0.113 . 1 . . 443 . A 73 TYR CA . 31035 1 585 . 1 . 1 73 73 TYR CB C 13 38.153 0.046 . 1 . . 1039 . A 73 TYR CB . 31035 1 586 . 1 . 1 73 73 TYR N N 15 116.976 0.007 . 1 . . 79 . A 73 TYR N . 31035 1 587 . 1 . 1 74 74 HIS H H 1 7.410 0.009 . 1 . . 161 . A 74 HIS H . 31035 1 588 . 1 . 1 74 74 HIS HA H 1 4.196 0.004 . 1 . . 787 . A 74 HIS HA . 31035 1 589 . 1 . 1 74 74 HIS HB2 H 1 3.104 0.004 . 2 . . 579 . A 74 HIS HB2 . 31035 1 590 . 1 . 1 74 74 HIS HB3 H 1 2.909 0.005 . 2 . . 788 . A 74 HIS HB3 . 31035 1 591 . 1 . 1 74 74 HIS CA C 13 59.278 0.081 . 1 . . 786 . A 74 HIS CA . 31035 1 592 . 1 . 1 74 74 HIS CB C 13 33.075 0.056 . 1 . . 580 . A 74 HIS CB . 31035 1 593 . 1 . 1 74 74 HIS N N 15 121.868 0.008 . 1 . . 162 . A 74 HIS N . 31035 1 594 . 1 . 1 75 75 GLU H H 1 8.660 0.002 . 1 . . 99 . A 75 GLU H . 31035 1 595 . 1 . 1 75 75 GLU HA H 1 4.191 0.004 . 1 . . 456 . A 75 GLU HA . 31035 1 596 . 1 . 1 75 75 GLU HB2 H 1 1.981 0.007 . 1 . . 375 . A 75 GLU HB2 . 31035 1 597 . 1 . 1 75 75 GLU HG2 H 1 2.230 0.006 . 1 . . 789 . A 75 GLU HG2 . 31035 1 598 . 1 . 1 75 75 GLU CA C 13 59.461 0.057 . 1 . . 457 . A 75 GLU CA . 31035 1 599 . 1 . 1 75 75 GLU CB C 13 29.341 0.08 . 1 . . 376 . A 75 GLU CB . 31035 1 600 . 1 . 1 75 75 GLU CG C 13 35.767 0.0 . 1 . . 790 . A 75 GLU CG . 31035 1 601 . 1 . 1 75 75 GLU N N 15 128.821 0.022 . 1 . . 100 . A 75 GLU N . 31035 1 602 . 1 . 1 77 77 ALA H H 1 8.479 0.023 . 1 . . 44 . A 77 ALA H . 31035 1 603 . 1 . 1 77 77 ALA HA H 1 3.811 0.003 . 1 . . 425 . A 77 ALA HA . 31035 1 604 . 1 . 1 77 77 ALA HB1 H 1 1.619 0.005 . 1 . . 791 . A 77 ALA HB1 . 31035 1 605 . 1 . 1 77 77 ALA HB2 H 1 1.619 0.005 . 1 . . 791 . A 77 ALA HB2 . 31035 1 606 . 1 . 1 77 77 ALA HB3 H 1 1.619 0.005 . 1 . . 791 . A 77 ALA HB3 . 31035 1 607 . 1 . 1 77 77 ALA CA C 13 55.747 0.005 . 1 . . 426 . A 77 ALA CA . 31035 1 608 . 1 . 1 77 77 ALA CB C 13 18.313 . . 1 . . 792 . A 77 ALA CB . 31035 1 609 . 1 . 1 77 77 ALA N N 15 121.326 0.15 . 1 . . 45 . A 77 ALA N . 31035 1 610 . 1 . 1 78 78 ALA CA C 13 55.454 . . 1 . . 1042 . A 78 ALA CA . 31035 1 611 . 1 . 1 79 79 ASP H H 1 7.916 0.002 . 1 . . 105 . A 79 ASP H . 31035 1 612 . 1 . 1 79 79 ASP N N 15 131.125 0.021 . 1 . . 106 . A 79 ASP N . 31035 1 613 . 1 . 1 81 81 SER H H 1 7.510 0.007 . 1 . . 38 . A 81 SER H . 31035 1 614 . 1 . 1 81 81 SER CA C 13 62.600 0.036 . 1 . . 297 . A 81 SER CA . 31035 1 615 . 1 . 1 81 81 SER N N 15 116.159 0.011 . 1 . . 39 . A 81 SER N . 31035 1 616 . 1 . 1 82 82 GLY H H 1 8.746 0.007 . 1 . . 82 . A 82 GLY H . 31035 1 617 . 1 . 1 82 82 GLY HA2 H 1 3.950 0.004 . 1 . . 793 . A 82 GLY HA2 . 31035 1 618 . 1 . 1 82 82 GLY CA C 13 46.793 . . 1 . . 794 . A 82 GLY CA . 31035 1 619 . 1 . 1 82 82 GLY N N 15 110.523 0.012 . 1 . . 83 . A 82 GLY N . 31035 1 620 . 1 . 1 83 83 LEU H H 1 7.682 0.003 . 1 . . 60 . A 83 LEU H . 31035 1 621 . 1 . 1 83 83 LEU HA H 1 4.234 0.005 . 1 . . 573 . A 83 LEU HA . 31035 1 622 . 1 . 1 83 83 LEU HB2 H 1 2.072 0.008 . 2 . . 593 . A 83 LEU HB2 . 31035 1 623 . 1 . 1 83 83 LEU HB3 H 1 1.490 0.004 . 2 . . 596 . A 83 LEU HB3 . 31035 1 624 . 1 . 1 83 83 LEU HG H 1 0.930 0.006 . 1 . . 796 . A 83 LEU HG . 31035 1 625 . 1 . 1 83 83 LEU CA C 13 57.491 0.034 . 1 . . 572 . A 83 LEU CA . 31035 1 626 . 1 . 1 83 83 LEU CB C 13 40.428 0.052 . 1 . . 597 . A 83 LEU CB . 31035 1 627 . 1 . 1 83 83 LEU CG C 13 25.554 . . 1 . . 795 . A 83 LEU CG . 31035 1 628 . 1 . 1 83 83 LEU N N 15 123.703 0.003 . 1 . . 61 . A 83 LEU N . 31035 1 629 . 1 . 1 84 84 VAL HA H 1 3.358 0.002 . 1 . . 1162 . A 84 VAL HA . 31035 1 630 . 1 . 1 84 84 VAL HB H 1 2.287 . . 1 . . 1161 . A 84 VAL HB . 31035 1 631 . 1 . 1 84 84 VAL HG11 H 1 0.954 0.01 . 2 . . 1163 . A 84 VAL HG11 . 31035 1 632 . 1 . 1 84 84 VAL HG12 H 1 0.954 0.01 . 2 . . 1163 . A 84 VAL HG12 . 31035 1 633 . 1 . 1 84 84 VAL HG13 H 1 0.954 0.01 . 2 . . 1163 . A 84 VAL HG13 . 31035 1 634 . 1 . 1 84 84 VAL HG21 H 1 1.095 0.004 . 2 . . 1164 . A 84 VAL HG21 . 31035 1 635 . 1 . 1 84 84 VAL HG22 H 1 1.095 0.004 . 2 . . 1164 . A 84 VAL HG22 . 31035 1 636 . 1 . 1 84 84 VAL HG23 H 1 1.095 0.004 . 2 . . 1164 . A 84 VAL HG23 . 31035 1 637 . 1 . 1 84 84 VAL CA C 13 67.519 0.009 . 1 . . 1516 . A 84 VAL CA . 31035 1 638 . 1 . 1 85 85 GLU H H 1 8.203 0.007 . 1 . . 147 . A 85 GLU H . 31035 1 639 . 1 . 1 85 85 GLU HA H 1 4.060 0.006 . 1 . . 813 . A 85 GLU HA . 31035 1 640 . 1 . 1 85 85 GLU HB2 H 1 2.176 0.004 . 2 . . 812 . A 85 GLU HB2 . 31035 1 641 . 1 . 1 85 85 GLU HB3 H 1 2.171 0.009 . 2 . . 1514 . A 85 GLU HB3 . 31035 1 642 . 1 . 1 85 85 GLU HG2 H 1 2.427 0.006 . 2 . . 526 . A 85 GLU HG2 . 31035 1 643 . 1 . 1 85 85 GLU HG3 H 1 2.424 0.004 . 2 . . 1513 . A 85 GLU HG3 . 31035 1 644 . 1 . 1 85 85 GLU CA C 13 59.544 0.032 . 1 . . 319 . A 85 GLU CA . 31035 1 645 . 1 . 1 85 85 GLU CB C 13 29.450 0.02 . 1 . . 365 . A 85 GLU CB . 31035 1 646 . 1 . 1 85 85 GLU CG C 13 36.359 0.064 . 1 . . 527 . A 85 GLU CG . 31035 1 647 . 1 . 1 85 85 GLU N N 15 118.487 0.035 . 1 . . 148 . A 85 GLU N . 31035 1 648 . 1 . 1 86 86 ARG H H 1 7.696 0.002 . 1 . . 151 . A 86 ARG H . 31035 1 649 . 1 . 1 86 86 ARG HA H 1 4.163 0.012 . 1 . . 551 . A 86 ARG HA . 31035 1 650 . 1 . 1 86 86 ARG HB2 H 1 2.191 0.008 . 2 . . 807 . A 86 ARG HB2 . 31035 1 651 . 1 . 1 86 86 ARG HB3 H 1 2.057 0.009 . 2 . . 808 . A 86 ARG HB3 . 31035 1 652 . 1 . 1 86 86 ARG HG2 H 1 1.675 0.011 . 2 . . 809 . A 86 ARG HG2 . 31035 1 653 . 1 . 1 86 86 ARG HG3 H 1 1.741 0.011 . 2 . . 1043 . A 86 ARG HG3 . 31035 1 654 . 1 . 1 86 86 ARG HD2 H 1 3.099 0.004 . 2 . . 537 . A 86 ARG HD2 . 31035 1 655 . 1 . 1 86 86 ARG HD3 H 1 3.394 0.005 . 2 . . 806 . A 86 ARG HD3 . 31035 1 656 . 1 . 1 86 86 ARG CA C 13 58.477 0.1 . 1 . . 552 . A 86 ARG CA . 31035 1 657 . 1 . 1 86 86 ARG CB C 13 29.261 0.067 . 1 . . 810 . A 86 ARG CB . 31035 1 658 . 1 . 1 86 86 ARG CG C 13 26.953 0.134 . 1 . . 811 . A 86 ARG CG . 31035 1 659 . 1 . 1 86 86 ARG CD C 13 43.174 0.069 . 1 . . 538 . A 86 ARG CD . 31035 1 660 . 1 . 1 86 86 ARG N N 15 119.679 0.024 . 1 . . 152 . A 86 ARG N . 31035 1 661 . 1 . 1 87 87 VAL HA H 1 3.511 0.004 . 1 . . 797 . A 87 VAL HA . 31035 1 662 . 1 . 1 87 87 VAL HB H 1 2.237 0.025 . 1 . . 798 . A 87 VAL HB . 31035 1 663 . 1 . 1 87 87 VAL HG11 H 1 1.178 0.004 . 2 . . 799 . A 87 VAL HG11 . 31035 1 664 . 1 . 1 87 87 VAL HG12 H 1 1.178 0.004 . 2 . . 799 . A 87 VAL HG12 . 31035 1 665 . 1 . 1 87 87 VAL HG13 H 1 1.178 0.004 . 2 . . 799 . A 87 VAL HG13 . 31035 1 666 . 1 . 1 87 87 VAL HG21 H 1 0.984 0.005 . 2 . . 800 . A 87 VAL HG21 . 31035 1 667 . 1 . 1 87 87 VAL HG22 H 1 0.984 0.005 . 2 . . 800 . A 87 VAL HG22 . 31035 1 668 . 1 . 1 87 87 VAL HG23 H 1 0.984 0.005 . 2 . . 800 . A 87 VAL HG23 . 31035 1 669 . 1 . 1 87 87 VAL CA C 13 68.018 0.041 . 1 . . 437 . A 87 VAL CA . 31035 1 670 . 1 . 1 87 87 VAL CB C 13 31.766 0.111 . 1 . . 341 . A 87 VAL CB . 31035 1 671 . 1 . 1 87 87 VAL CG1 C 13 25.341 0.061 . 2 . . 801 . A 87 VAL CG1 . 31035 1 672 . 1 . 1 87 87 VAL CG2 C 13 23.412 0.117 . 2 . . 802 . A 87 VAL CG2 . 31035 1 673 . 1 . 1 88 88 MET H H 1 8.437 0.003 . 1 . . 1 . A 88 MET H . 31035 1 674 . 1 . 1 88 88 MET HA H 1 4.292 0.01 . 1 . . 571 . A 88 MET HA . 31035 1 675 . 1 . 1 88 88 MET HB2 H 1 2.319 0.005 . 1 . . 805 . A 88 MET HB2 . 31035 1 676 . 1 . 1 88 88 MET HG2 H 1 2.254 0.016 . 1 . . 804 . A 88 MET HG2 . 31035 1 677 . 1 . 1 88 88 MET CA C 13 60.324 0.078 . 1 . . 570 . A 88 MET CA . 31035 1 678 . 1 . 1 88 88 MET CB C 13 30.855 . . 1 . . 785 . A 88 MET CB . 31035 1 679 . 1 . 1 88 88 MET CG C 13 33.785 . . 1 . . 803 . A 88 MET CG . 31035 1 680 . 1 . 1 88 88 MET N N 15 123.074 0.023 . 1 . . 2 . A 88 MET N . 31035 1 681 . 1 . 1 89 89 GLN H H 1 8.301 0.004 . 1 . . 131 . A 89 GLN H . 31035 1 682 . 1 . 1 89 89 GLN HA H 1 4.059 0.011 . 1 . . 465 . A 89 GLN HA . 31035 1 683 . 1 . 1 89 89 GLN HB2 H 1 2.374 0.001 . 2 . . 815 . A 89 GLN HB2 . 31035 1 684 . 1 . 1 89 89 GLN HB3 H 1 2.056 0.009 . 2 . . 1044 . A 89 GLN HB3 . 31035 1 685 . 1 . 1 89 89 GLN HG2 H 1 2.581 0.006 . 2 . . 816 . A 89 GLN HG2 . 31035 1 686 . 1 . 1 89 89 GLN HG3 H 1 2.395 0.008 . 2 . . 870 . A 89 GLN HG3 . 31035 1 687 . 1 . 1 89 89 GLN CA C 13 58.719 0.042 . 1 . . 466 . A 89 GLN CA . 31035 1 688 . 1 . 1 89 89 GLN CB C 13 28.970 0.462 . 1 . . 1045 . A 89 GLN CB . 31035 1 689 . 1 . 1 89 89 GLN CG C 13 33.571 0.0 . 1 . . 814 . A 89 GLN CG . 31035 1 690 . 1 . 1 89 89 GLN N N 15 119.984 0.015 . 1 . . 132 . A 89 GLN N . 31035 1 691 . 1 . 1 90 90 LEU H H 1 8.331 0.002 . 1 . . 197 . A 90 LEU H . 31035 1 692 . 1 . 1 90 90 LEU HA H 1 4.103 0.005 . 1 . . 458 . A 90 LEU HA . 31035 1 693 . 1 . 1 90 90 LEU HB2 H 1 1.882 0.006 . 2 . . 384 . A 90 LEU HB2 . 31035 1 694 . 1 . 1 90 90 LEU HB3 H 1 1.462 0.006 . 2 . . 532 . A 90 LEU HB3 . 31035 1 695 . 1 . 1 90 90 LEU HG H 1 1.760 0.009 . 1 . . 1048 . A 90 LEU HG . 31035 1 696 . 1 . 1 90 90 LEU HD11 H 1 0.762 0.004 . 2 . . 1046 . A 90 LEU HD11 . 31035 1 697 . 1 . 1 90 90 LEU HD12 H 1 0.762 0.004 . 2 . . 1046 . A 90 LEU HD12 . 31035 1 698 . 1 . 1 90 90 LEU HD13 H 1 0.762 0.004 . 2 . . 1046 . A 90 LEU HD13 . 31035 1 699 . 1 . 1 90 90 LEU HD21 H 1 0.847 0.005 . 2 . . 1047 . A 90 LEU HD21 . 31035 1 700 . 1 . 1 90 90 LEU HD22 H 1 0.847 0.005 . 2 . . 1047 . A 90 LEU HD22 . 31035 1 701 . 1 . 1 90 90 LEU HD23 H 1 0.847 0.005 . 2 . . 1047 . A 90 LEU HD23 . 31035 1 702 . 1 . 1 90 90 LEU CA C 13 57.320 0.055 . 1 . . 459 . A 90 LEU CA . 31035 1 703 . 1 . 1 90 90 LEU CB C 13 44.262 0.066 . 1 . . 533 . A 90 LEU CB . 31035 1 704 . 1 . 1 90 90 LEU CG C 13 26.586 0.156 . 1 . . 817 . A 90 LEU CG . 31035 1 705 . 1 . 1 90 90 LEU CD2 C 13 22.438 0.201 . 1 . . 818 . A 90 LEU CD2 . 31035 1 706 . 1 . 1 90 90 LEU N N 15 118.002 0.012 . 1 . . 198 . A 90 LEU N . 31035 1 707 . 1 . 1 91 91 THR H H 1 7.598 0.005 . 1 . . 80 . A 91 THR H . 31035 1 708 . 1 . 1 91 91 THR HA H 1 4.329 0.009 . 1 . . 422 . A 91 THR HA . 31035 1 709 . 1 . 1 91 91 THR HB H 1 4.085 0.005 . 1 . . 385 . A 91 THR HB . 31035 1 710 . 1 . 1 91 91 THR HG21 H 1 1.074 0.006 . 1 . . 820 . A 91 THR HG21 . 31035 1 711 . 1 . 1 91 91 THR HG22 H 1 1.074 0.006 . 1 . . 820 . A 91 THR HG22 . 31035 1 712 . 1 . 1 91 91 THR HG23 H 1 1.074 0.006 . 1 . . 820 . A 91 THR HG23 . 31035 1 713 . 1 . 1 91 91 THR CA C 13 62.140 0.004 . 1 . . 423 . A 91 THR CA . 31035 1 714 . 1 . 1 91 91 THR CB C 13 72.370 0.037 . 1 . . 386 . A 91 THR CB . 31035 1 715 . 1 . 1 91 91 THR CG2 C 13 21.232 . . 1 . . 819 . A 91 THR CG2 . 31035 1 716 . 1 . 1 91 91 THR N N 15 101.783 0.014 . 1 . . 81 . A 91 THR N . 31035 1 717 . 1 . 1 92 92 GLY H H 1 8.418 0.002 . 1 . . 269 . A 92 GLY H . 31035 1 718 . 1 . 1 92 92 GLY N N 15 113.296 0.014 . 1 . . 270 . A 92 GLY N . 31035 1 719 . 1 . 1 93 93 CYS H H 1 7.348 . . 1 . . 159 . A 93 CYS H . 31035 1 720 . 1 . 1 93 93 CYS HA H 1 4.694 0.004 . 1 . . 461 . A 93 CYS HA . 31035 1 721 . 1 . 1 93 93 CYS HB2 H 1 2.429 0.006 . 2 . . 822 . A 93 CYS HB2 . 31035 1 722 . 1 . 1 93 93 CYS HB3 H 1 3.177 0.006 . 2 . . 823 . A 93 CYS HB3 . 31035 1 723 . 1 . 1 93 93 CYS CA C 13 56.832 0.056 . 1 . . 462 . A 93 CYS CA . 31035 1 724 . 1 . 1 93 93 CYS CB C 13 30.433 0.045 . 1 . . 821 . A 93 CYS CB . 31035 1 725 . 1 . 1 93 93 CYS N N 15 119.168 . . 1 . . 160 . A 93 CYS N . 31035 1 726 . 1 . 1 94 94 ASP H H 1 7.966 0.005 . 1 . . 251 . A 94 ASP H . 31035 1 727 . 1 . 1 94 94 ASP HA H 1 4.674 0.006 . 1 . . 390 . A 94 ASP HA . 31035 1 728 . 1 . 1 94 94 ASP HB2 H 1 3.123 0.004 . 2 . . 553 . A 94 ASP HB2 . 31035 1 729 . 1 . 1 94 94 ASP HB3 H 1 2.742 0.004 . 2 . . 824 . A 94 ASP HB3 . 31035 1 730 . 1 . 1 94 94 ASP CA C 13 52.205 0.06 . 1 . . 391 . A 94 ASP CA . 31035 1 731 . 1 . 1 94 94 ASP CB C 13 41.721 0.07 . 1 . . 554 . A 94 ASP CB . 31035 1 732 . 1 . 1 94 94 ASP N N 15 116.706 0.025 . 1 . . 252 . A 94 ASP N . 31035 1 733 . 1 . 1 95 95 GLU H H 1 8.966 0.004 . 1 . . 50 . A 95 GLU H . 31035 1 734 . 1 . 1 95 95 GLU HA H 1 3.896 0.001 . 1 . . 407 . A 95 GLU HA . 31035 1 735 . 1 . 1 95 95 GLU HB2 H 1 1.952 0.011 . 2 . . 1049 . A 95 GLU HB2 . 31035 1 736 . 1 . 1 95 95 GLU HB3 H 1 1.949 0.0 . 2 . . 1517 . A 95 GLU HB3 . 31035 1 737 . 1 . 1 95 95 GLU HG2 H 1 2.183 0.019 . 2 . . 522 . A 95 GLU HG2 . 31035 1 738 . 1 . 1 95 95 GLU HG3 H 1 2.281 0.012 . 2 . . 1050 . A 95 GLU HG3 . 31035 1 739 . 1 . 1 95 95 GLU CA C 13 60.967 0.043 . 1 . . 408 . A 95 GLU CA . 31035 1 740 . 1 . 1 95 95 GLU CB C 13 29.665 0.076 . 1 . . 825 . A 95 GLU CB . 31035 1 741 . 1 . 1 95 95 GLU CG C 13 35.995 0.027 . 1 . . 523 . A 95 GLU CG . 31035 1 742 . 1 . 1 95 95 GLU N N 15 121.417 0.015 . 1 . . 51 . A 95 GLU N . 31035 1 743 . 1 . 1 96 96 ASP H H 1 8.039 0.003 . 1 . . 175 . A 96 ASP H . 31035 1 744 . 1 . 1 96 96 ASP HA H 1 4.081 0.004 . 1 . . 827 . A 96 ASP HA . 31035 1 745 . 1 . 1 96 96 ASP HB2 H 1 2.550 0.005 . 1 . . 583 . A 96 ASP HB2 . 31035 1 746 . 1 . 1 96 96 ASP CA C 13 57.472 0.014 . 1 . . 826 . A 96 ASP CA . 31035 1 747 . 1 . 1 96 96 ASP CB C 13 40.408 0.103 . 1 . . 582 . A 96 ASP CB . 31035 1 748 . 1 . 1 96 96 ASP N N 15 118.067 0.044 . 1 . . 176 . A 96 ASP N . 31035 1 749 . 1 . 1 97 97 THR H H 1 8.245 0.003 . 1 . . 68 . A 97 THR H . 31035 1 750 . 1 . 1 97 97 THR HA H 1 3.726 0.006 . 1 . . 1051 . A 97 THR HA . 31035 1 751 . 1 . 1 97 97 THR HB H 1 3.996 0.008 . 1 . . 557 . A 97 THR HB . 31035 1 752 . 1 . 1 97 97 THR HG21 H 1 1.146 0.005 . 1 . . 828 . A 97 THR HG21 . 31035 1 753 . 1 . 1 97 97 THR HG22 H 1 1.146 0.005 . 1 . . 828 . A 97 THR HG22 . 31035 1 754 . 1 . 1 97 97 THR HG23 H 1 1.146 0.005 . 1 . . 828 . A 97 THR HG23 . 31035 1 755 . 1 . 1 97 97 THR CA C 13 66.524 0.16 . 1 . . 342 . A 97 THR CA . 31035 1 756 . 1 . 1 97 97 THR CB C 13 68.026 0.229 . 1 . . 1052 . A 97 THR CB . 31035 1 757 . 1 . 1 97 97 THR CG2 C 13 21.019 0.041 . 1 . . 829 . A 97 THR CG2 . 31035 1 758 . 1 . 1 97 97 THR N N 15 117.680 0.013 . 1 . . 69 . A 97 THR N . 31035 1 759 . 1 . 1 98 98 ALA H H 1 8.303 0.006 . 1 . . 173 . A 98 ALA H . 31035 1 760 . 1 . 1 98 98 ALA HA H 1 3.876 0.009 . 1 . . 464 . A 98 ALA HA . 31035 1 761 . 1 . 1 98 98 ALA HB1 H 1 1.338 0.004 . 1 . . 830 . A 98 ALA HB1 . 31035 1 762 . 1 . 1 98 98 ALA HB2 H 1 1.338 0.004 . 1 . . 830 . A 98 ALA HB2 . 31035 1 763 . 1 . 1 98 98 ALA HB3 H 1 1.338 0.004 . 1 . . 830 . A 98 ALA HB3 . 31035 1 764 . 1 . 1 98 98 ALA CA C 13 55.538 0.123 . 1 . . 1053 . A 98 ALA CA . 31035 1 765 . 1 . 1 98 98 ALA CB C 13 19.701 0.166 . 1 . . 343 . A 98 ALA CB . 31035 1 766 . 1 . 1 98 98 ALA N N 15 125.158 0.026 . 1 . . 174 . A 98 ALA N . 31035 1 767 . 1 . 1 100 100 GLU H H 1 7.714 0.006 . 1 . . 193 . A 100 GLU H . 31035 1 768 . 1 . 1 100 100 GLU HA H 1 4.077 0.005 . 1 . . 1182 . A 100 GLU HA . 31035 1 769 . 1 . 1 100 100 GLU HB2 H 1 2.048 . . 2 . . 1183 . A 100 GLU HB2 . 31035 1 770 . 1 . 1 100 100 GLU HB3 H 1 2.088 . . 2 . . 1184 . A 100 GLU HB3 . 31035 1 771 . 1 . 1 100 100 GLU HG2 H 1 2.362 0.009 . 2 . . 1185 . A 100 GLU HG2 . 31035 1 772 . 1 . 1 100 100 GLU HG3 H 1 2.391 . . 2 . . 1186 . A 100 GLU HG3 . 31035 1 773 . 1 . 1 100 100 GLU CA C 13 58.661 0.044 . 1 . . 1179 . A 100 GLU CA . 31035 1 774 . 1 . 1 100 100 GLU CB C 13 29.454 0.01 . 1 . . 1180 . A 100 GLU CB . 31035 1 775 . 1 . 1 100 100 GLU CG C 13 36.107 . . 1 . . 1181 . A 100 GLU CG . 31035 1 776 . 1 . 1 100 100 GLU N N 15 120.300 0.02 . 1 . . 194 . A 100 GLU N . 31035 1 777 . 1 . 1 101 101 LEU H H 1 7.898 0.002 . 1 . . 273 . A 101 LEU H . 31035 1 778 . 1 . 1 101 101 LEU HA H 1 4.189 . . 1 . . 1160 . A 101 LEU HA . 31035 1 779 . 1 . 1 101 101 LEU HB2 H 1 1.236 . . 1 . . 871 . A 101 LEU HB2 . 31035 1 780 . 1 . 1 101 101 LEU HD11 H 1 0.708 . . 1 . . 1159 . A 101 LEU HD11 . 31035 1 781 . 1 . 1 101 101 LEU HD12 H 1 0.708 . . 1 . . 1159 . A 101 LEU HD12 . 31035 1 782 . 1 . 1 101 101 LEU HD13 H 1 0.708 . . 1 . . 1159 . A 101 LEU HD13 . 31035 1 783 . 1 . 1 101 101 LEU CA C 13 57.612 0.017 . 1 . . 1188 . A 101 LEU CA . 31035 1 784 . 1 . 1 101 101 LEU CB C 13 42.361 . . 1 . . 1194 . A 101 LEU CB . 31035 1 785 . 1 . 1 101 101 LEU N N 15 119.256 0.006 . 1 . . 274 . A 101 LEU N . 31035 1 786 . 1 . 1 102 102 ILE H H 1 8.479 0.005 . 1 . . 93 . A 102 ILE H . 31035 1 787 . 1 . 1 102 102 ILE HA H 1 3.554 0.005 . 1 . . 834 . A 102 ILE HA . 31035 1 788 . 1 . 1 102 102 ILE HB H 1 2.079 0.007 . 1 . . 591 . A 102 ILE HB . 31035 1 789 . 1 . 1 102 102 ILE HG12 H 1 0.900 0.034 . 1 . . 836 . A 102 ILE HG12 . 31035 1 790 . 1 . 1 102 102 ILE HG21 H 1 0.993 0.007 . 1 . . 835 . A 102 ILE HG21 . 31035 1 791 . 1 . 1 102 102 ILE HG22 H 1 0.993 0.007 . 1 . . 835 . A 102 ILE HG22 . 31035 1 792 . 1 . 1 102 102 ILE HG23 H 1 0.993 0.007 . 1 . . 835 . A 102 ILE HG23 . 31035 1 793 . 1 . 1 102 102 ILE HD11 H 1 0.884 0.014 . 1 . . 1054 . A 102 ILE HD11 . 31035 1 794 . 1 . 1 102 102 ILE HD12 H 1 0.884 0.014 . 1 . . 1054 . A 102 ILE HD12 . 31035 1 795 . 1 . 1 102 102 ILE HD13 H 1 0.884 0.014 . 1 . . 1054 . A 102 ILE HD13 . 31035 1 796 . 1 . 1 102 102 ILE CA C 13 65.482 0.0 . 1 . . 837 . A 102 ILE CA . 31035 1 797 . 1 . 1 102 102 ILE CB C 13 38.395 0.104 . 1 . . 592 . A 102 ILE CB . 31035 1 798 . 1 . 1 102 102 ILE CG1 C 13 30.903 0.0 . 1 . . 838 . A 102 ILE CG1 . 31035 1 799 . 1 . 1 102 102 ILE CG2 C 13 17.234 0.192 . 1 . . 839 . A 102 ILE CG2 . 31035 1 800 . 1 . 1 102 102 ILE CD1 C 13 14.177 0.078 . 1 . . 840 . A 102 ILE CD1 . 31035 1 801 . 1 . 1 102 102 ILE N N 15 121.025 0.01 . 1 . . 94 . A 102 ILE N . 31035 1 802 . 1 . 1 103 103 SER H H 1 8.110 0.003 . 1 . . 129 . A 103 SER H . 31035 1 803 . 1 . 1 103 103 SER HA H 1 4.536 0.001 . 1 . . 842 . A 103 SER HA . 31035 1 804 . 1 . 1 103 103 SER HB2 H 1 4.074 0.005 . 2 . . 521 . A 103 SER HB2 . 31035 1 805 . 1 . 1 103 103 SER HB3 H 1 4.265 0.005 . 2 . . 547 . A 103 SER HB3 . 31035 1 806 . 1 . 1 103 103 SER CA C 13 58.904 0.048 . 1 . . 841 . A 103 SER CA . 31035 1 807 . 1 . 1 103 103 SER CB C 13 64.423 0.078 . 1 . . 548 . A 103 SER CB . 31035 1 808 . 1 . 1 103 103 SER N N 15 111.550 0.02 . 1 . . 130 . A 103 SER N . 31035 1 809 . 1 . 1 104 104 GLN H H 1 7.712 0.004 . 1 . . 137 . A 104 GLN H . 31035 1 810 . 1 . 1 104 104 GLN HA H 1 3.803 0.009 . 1 . . 843 . A 104 GLN HA . 31035 1 811 . 1 . 1 104 104 GLN HB2 H 1 2.184 0.008 . 2 . . 844 . A 104 GLN HB2 . 31035 1 812 . 1 . 1 104 104 GLN HB3 H 1 2.545 0.007 . 2 . . 1057 . A 104 GLN HB3 . 31035 1 813 . 1 . 1 104 104 GLN HG2 H 1 2.293 0.006 . 2 . . 586 . A 104 GLN HG2 . 31035 1 814 . 1 . 1 104 104 GLN HG3 H 1 2.407 0.007 . 2 . . 1058 . A 104 GLN HG3 . 31035 1 815 . 1 . 1 104 104 GLN CA C 13 56.801 0.018 . 1 . . 1055 . A 104 GLN CA . 31035 1 816 . 1 . 1 104 104 GLN CB C 13 24.645 0.183 . 1 . . 1056 . A 104 GLN CB . 31035 1 817 . 1 . 1 104 104 GLN CG C 13 33.454 0.035 . 1 . . 587 . A 104 GLN CG . 31035 1 818 . 1 . 1 104 104 GLN N N 15 112.892 0.015 . 1 . . 138 . A 104 GLN N . 31035 1 819 . 1 . 1 105 105 ARG H H 1 8.423 0.006 . 1 . . 153 . A 105 ARG H . 31035 1 820 . 1 . 1 105 105 ARG HA H 1 4.215 0.005 . 1 . . 398 . A 105 ARG HA . 31035 1 821 . 1 . 1 105 105 ARG HB2 H 1 1.915 0.009 . 2 . . 845 . A 105 ARG HB2 . 31035 1 822 . 1 . 1 105 105 ARG HB3 H 1 1.714 0.016 . 2 . . 1059 . A 105 ARG HB3 . 31035 1 823 . 1 . 1 105 105 ARG HG2 H 1 1.690 0.019 . 1 . . 846 . A 105 ARG HG2 . 31035 1 824 . 1 . 1 105 105 ARG HD2 H 1 3.263 0.012 . 2 . . 543 . A 105 ARG HD2 . 31035 1 825 . 1 . 1 105 105 ARG HD3 H 1 3.351 0.004 . 2 . . 555 . A 105 ARG HD3 . 31035 1 826 . 1 . 1 105 105 ARG CA C 13 58.177 0.041 . 1 . . 399 . A 105 ARG CA . 31035 1 827 . 1 . 1 105 105 ARG CB C 13 32.067 0.015 . 1 . . 320 . A 105 ARG CB . 31035 1 828 . 1 . 1 105 105 ARG CG C 13 28.819 0.0 . 1 . . 847 . A 105 ARG CG . 31035 1 829 . 1 . 1 105 105 ARG CD C 13 43.534 0.105 . 1 . . 556 . A 105 ARG CD . 31035 1 830 . 1 . 1 105 105 ARG N N 15 117.842 0.02 . 1 . . 154 . A 105 ARG N . 31035 1 831 . 1 . 1 106 106 ILE H H 1 7.228 0.002 . 1 . . 281 . A 106 ILE H . 31035 1 832 . 1 . 1 106 106 ILE HA H 1 4.247 0.002 . 1 . . 454 . A 106 ILE HA . 31035 1 833 . 1 . 1 106 106 ILE HB H 1 1.841 0.005 . 1 . . 1062 . A 106 ILE HB . 31035 1 834 . 1 . 1 106 106 ILE HG12 H 1 1.354 0.007 . 2 . . 1064 . A 106 ILE HG12 . 31035 1 835 . 1 . 1 106 106 ILE HG13 H 1 1.179 0.003 . 2 . . 1065 . A 106 ILE HG13 . 31035 1 836 . 1 . 1 106 106 ILE HG21 H 1 0.771 0.006 . 1 . . 1063 . A 106 ILE HG21 . 31035 1 837 . 1 . 1 106 106 ILE HG22 H 1 0.771 0.006 . 1 . . 1063 . A 106 ILE HG22 . 31035 1 838 . 1 . 1 106 106 ILE HG23 H 1 0.771 0.006 . 1 . . 1063 . A 106 ILE HG23 . 31035 1 839 . 1 . 1 106 106 ILE HD11 H 1 0.712 0.001 . 1 . . 452 . A 106 ILE HD11 . 31035 1 840 . 1 . 1 106 106 ILE HD12 H 1 0.712 0.001 . 1 . . 452 . A 106 ILE HD12 . 31035 1 841 . 1 . 1 106 106 ILE HD13 H 1 0.712 0.001 . 1 . . 452 . A 106 ILE HD13 . 31035 1 842 . 1 . 1 106 106 ILE CA C 13 59.437 0.144 . 1 . . 455 . A 106 ILE CA . 31035 1 843 . 1 . 1 106 106 ILE CB C 13 39.081 1.011 . 1 . . 377 . A 106 ILE CB . 31035 1 844 . 1 . 1 106 106 ILE CG1 C 13 27.126 0.064 . 1 . . 1060 . A 106 ILE CG1 . 31035 1 845 . 1 . 1 106 106 ILE CG2 C 13 16.692 0.0 . 1 . . 1061 . A 106 ILE CG2 . 31035 1 846 . 1 . 1 106 106 ILE CD1 C 13 12.256 0.031 . 1 . . 453 . A 106 ILE CD1 . 31035 1 847 . 1 . 1 106 106 ILE N N 15 113.735 0.014 . 1 . . 282 . A 106 ILE N . 31035 1 848 . 1 . 1 107 107 ASP H H 1 8.940 0.007 . 1 . . 181 . A 107 ASP H . 31035 1 849 . 1 . 1 107 107 ASP HA H 1 4.817 0.013 . 1 . . 382 . A 107 ASP HA . 31035 1 850 . 1 . 1 107 107 ASP HB2 H 1 2.779 0.003 . 2 . . 776 . A 107 ASP HB2 . 31035 1 851 . 1 . 1 107 107 ASP HB3 H 1 2.639 0.004 . 2 . . 777 . A 107 ASP HB3 . 31035 1 852 . 1 . 1 107 107 ASP CA C 13 51.990 0.023 . 1 . . 383 . A 107 ASP CA . 31035 1 853 . 1 . 1 107 107 ASP CB C 13 43.982 0.166 . 1 . . 778 . A 107 ASP CB . 31035 1 854 . 1 . 1 107 107 ASP N N 15 128.156 0.003 . 1 . . 182 . A 107 ASP N . 31035 1 855 . 1 . 1 108 108 VAL H H 1 8.699 0.002 . 1 . . 127 . A 108 VAL H . 31035 1 856 . 1 . 1 108 108 VAL HA H 1 3.656 0.006 . 1 . . 577 . A 108 VAL HA . 31035 1 857 . 1 . 1 108 108 VAL HB H 1 1.930 0.01 . 1 . . 779 . A 108 VAL HB . 31035 1 858 . 1 . 1 108 108 VAL HG11 H 1 0.682 0.006 . 2 . . 780 . A 108 VAL HG11 . 31035 1 859 . 1 . 1 108 108 VAL HG12 H 1 0.682 0.006 . 2 . . 780 . A 108 VAL HG12 . 31035 1 860 . 1 . 1 108 108 VAL HG13 H 1 0.682 0.006 . 2 . . 780 . A 108 VAL HG13 . 31035 1 861 . 1 . 1 108 108 VAL HG21 H 1 0.679 0.005 . 2 . . 1515 . A 108 VAL HG21 . 31035 1 862 . 1 . 1 108 108 VAL HG22 H 1 0.679 0.005 . 2 . . 1515 . A 108 VAL HG22 . 31035 1 863 . 1 . 1 108 108 VAL HG23 H 1 0.679 0.005 . 2 . . 1515 . A 108 VAL HG23 . 31035 1 864 . 1 . 1 108 108 VAL CA C 13 64.318 0.039 . 1 . . 578 . A 108 VAL CA . 31035 1 865 . 1 . 1 108 108 VAL CB C 13 31.449 0.073 . 1 . . 1066 . A 108 VAL CB . 31035 1 866 . 1 . 1 108 108 VAL CG1 C 13 21.119 0.0 . 1 . . 1067 . A 108 VAL CG1 . 31035 1 867 . 1 . 1 108 108 VAL CG2 C 13 21.119 0.0 . 1 . . 1521 . A 108 VAL CG2 . 31035 1 868 . 1 . 1 108 108 VAL N N 15 119.258 0.033 . 1 . . 128 . A 108 VAL N . 31035 1 869 . 1 . 1 109 109 PHE H H 1 7.757 0.003 . 1 . . 40 . A 109 PHE H . 31035 1 870 . 1 . 1 109 109 PHE HA H 1 4.174 . . 1 . . 781 . A 109 PHE HA . 31035 1 871 . 1 . 1 109 109 PHE HB2 H 1 2.953 . . 2 . . 782 . A 109 PHE HB2 . 31035 1 872 . 1 . 1 109 109 PHE HB3 H 1 3.115 . . 2 . . 783 . A 109 PHE HB3 . 31035 1 873 . 1 . 1 109 109 PHE CA C 13 60.093 0.239 . 1 . . 784 . A 109 PHE CA . 31035 1 874 . 1 . 1 109 109 PHE CB C 13 37.923 0.124 . 1 . . 298 . A 109 PHE CB . 31035 1 875 . 1 . 1 109 109 PHE N N 15 116.881 0.026 . 1 . . 41 . A 109 PHE N . 31035 1 876 . 1 . 1 110 110 ASN H H 1 7.945 0.01 . 1 . . 289 . A 110 ASN H . 31035 1 877 . 1 . 1 110 110 ASN HA H 1 4.831 0.006 . 1 . . 849 . A 110 ASN HA . 31035 1 878 . 1 . 1 110 110 ASN HB2 H 1 3.010 0.004 . 2 . . 503 . A 110 ASN HB2 . 31035 1 879 . 1 . 1 110 110 ASN HB3 H 1 2.740 0.004 . 2 . . 534 . A 110 ASN HB3 . 31035 1 880 . 1 . 1 110 110 ASN CA C 13 53.453 0.064 . 1 . . 848 . A 110 ASN CA . 31035 1 881 . 1 . 1 110 110 ASN CB C 13 39.712 0.038 . 1 . . 535 . A 110 ASN CB . 31035 1 882 . 1 . 1 110 110 ASN N N 15 115.793 0.041 . 1 . . 290 . A 110 ASN N . 31035 1 883 . 1 . 1 111 111 LEU H H 1 7.276 0.005 . 1 . . 209 . A 111 LEU H . 31035 1 884 . 1 . 1 111 111 LEU HA H 1 4.361 0.004 . 1 . . 568 . A 111 LEU HA . 31035 1 885 . 1 . 1 111 111 LEU HB2 H 1 1.797 0.011 . 2 . . 528 . A 111 LEU HB2 . 31035 1 886 . 1 . 1 111 111 LEU HB3 H 1 1.565 0.004 . 2 . . 850 . A 111 LEU HB3 . 31035 1 887 . 1 . 1 111 111 LEU HG H 1 1.755 0.013 . 1 . . 1070 . A 111 LEU HG . 31035 1 888 . 1 . 1 111 111 LEU HD11 H 1 0.774 0.009 . 2 . . 851 . A 111 LEU HD11 . 31035 1 889 . 1 . 1 111 111 LEU HD12 H 1 0.774 0.009 . 2 . . 851 . A 111 LEU HD12 . 31035 1 890 . 1 . 1 111 111 LEU HD13 H 1 0.774 0.009 . 2 . . 851 . A 111 LEU HD13 . 31035 1 891 . 1 . 1 111 111 LEU HD21 H 1 0.847 0.006 . 2 . . 1068 . A 111 LEU HD21 . 31035 1 892 . 1 . 1 111 111 LEU HD22 H 1 0.847 0.006 . 2 . . 1068 . A 111 LEU HD22 . 31035 1 893 . 1 . 1 111 111 LEU HD23 H 1 0.847 0.006 . 2 . . 1068 . A 111 LEU HD23 . 31035 1 894 . 1 . 1 111 111 LEU CA C 13 54.841 0.074 . 1 . . 569 . A 111 LEU CA . 31035 1 895 . 1 . 1 111 111 LEU CB C 13 41.605 0.04 . 1 . . 529 . A 111 LEU CB . 31035 1 896 . 1 . 1 111 111 LEU CG C 13 26.860 0.066 . 1 . . 1069 . A 111 LEU CG . 31035 1 897 . 1 . 1 111 111 LEU CD1 C 13 22.860 0.001 . 2 . . 853 . A 111 LEU CD1 . 31035 1 898 . 1 . 1 111 111 LEU CD2 C 13 25.106 0.034 . 2 . . 852 . A 111 LEU CD2 . 31035 1 899 . 1 . 1 111 111 LEU N N 15 121.092 0.024 . 1 . . 210 . A 111 LEU N . 31035 1 900 . 1 . 1 112 112 ASP H H 1 8.420 0.001 . 1 . . 213 . A 112 ASP H . 31035 1 901 . 1 . 1 112 112 ASP HA H 1 4.394 0.008 . 1 . . 855 . A 112 ASP HA . 31035 1 902 . 1 . 1 112 112 ASP HB2 H 1 2.556 0.021 . 1 . . 485 . A 112 ASP HB2 . 31035 1 903 . 1 . 1 112 112 ASP CA C 13 55.764 0.051 . 1 . . 854 . A 112 ASP CA . 31035 1 904 . 1 . 1 112 112 ASP CB C 13 41.217 0.062 . 1 . . 486 . A 112 ASP CB . 31035 1 905 . 1 . 1 112 112 ASP N N 15 122.025 0.024 . 1 . . 214 . A 112 ASP N . 31035 1 906 . 1 . 1 113 113 ASP H H 1 8.480 0.001 . 1 . . 267 . A 113 ASP H . 31035 1 907 . 1 . 1 113 113 ASP HA H 1 4.421 0.007 . 1 . . 856 . A 113 ASP HA . 31035 1 908 . 1 . 1 113 113 ASP HB2 H 1 2.782 0.002 . 2 . . 433 . A 113 ASP HB2 . 31035 1 909 . 1 . 1 113 113 ASP HB3 H 1 2.614 0.005 . 2 . . 487 . A 113 ASP HB3 . 31035 1 910 . 1 . 1 113 113 ASP CA C 13 55.146 0.105 . 1 . . 336 . A 113 ASP CA . 31035 1 911 . 1 . 1 113 113 ASP CB C 13 40.148 0.04 . 1 . . 488 . A 113 ASP CB . 31035 1 912 . 1 . 1 113 113 ASP N N 15 115.460 0.014 . 1 . . 268 . A 113 ASP N . 31035 1 913 . 1 . 1 114 114 ILE H H 1 7.288 0.003 . 1 . . 42 . A 114 ILE H . 31035 1 914 . 1 . 1 114 114 ILE HA H 1 4.233 0.003 . 1 . . 857 . A 114 ILE HA . 31035 1 915 . 1 . 1 114 114 ILE HB H 1 1.832 . . 1 . . 858 . A 114 ILE HB . 31035 1 916 . 1 . 1 114 114 ILE HG12 H 1 1.349 . . 2 . . 859 . A 114 ILE HG12 . 31035 1 917 . 1 . 1 114 114 ILE HG13 H 1 1.173 . . 2 . . 860 . A 114 ILE HG13 . 31035 1 918 . 1 . 1 114 114 ILE HD11 H 1 0.750 . . 1 . . 861 . A 114 ILE HD11 . 31035 1 919 . 1 . 1 114 114 ILE HD12 H 1 0.750 . . 1 . . 861 . A 114 ILE HD12 . 31035 1 920 . 1 . 1 114 114 ILE HD13 H 1 0.750 . . 1 . . 861 . A 114 ILE HD13 . 31035 1 921 . 1 . 1 114 114 ILE CA C 13 59.320 0.035 . 1 . . 299 . A 114 ILE CA . 31035 1 922 . 1 . 1 114 114 ILE CB C 13 38.566 0.056 . 1 . . 300 . A 114 ILE CB . 31035 1 923 . 1 . 1 114 114 ILE CG1 C 13 27.123 . . 1 . . 467 . A 114 ILE CG1 . 31035 1 924 . 1 . 1 114 114 ILE CG2 C 13 16.702 . . 1 . . 544 . A 114 ILE CG2 . 31035 1 925 . 1 . 1 114 114 ILE CD1 C 13 11.958 . . 1 . . 434 . A 114 ILE CD1 . 31035 1 926 . 1 . 1 114 114 ILE N N 15 118.874 0.032 . 1 . . 43 . A 114 ILE N . 31035 1 927 . 1 . 1 115 115 ASP H H 1 8.941 0.001 . 1 . . 76 . A 115 ASP H . 31035 1 928 . 1 . 1 115 115 ASP HA H 1 4.546 0.004 . 1 . . 863 . A 115 ASP HA . 31035 1 929 . 1 . 1 115 115 ASP HB2 H 1 2.748 0.002 . 2 . . 448 . A 115 ASP HB2 . 31035 1 930 . 1 . 1 115 115 ASP HB3 H 1 2.665 0.011 . 2 . . 862 . A 115 ASP HB3 . 31035 1 931 . 1 . 1 115 115 ASP CA C 13 54.060 . . 1 . . 864 . A 115 ASP CA . 31035 1 932 . 1 . 1 115 115 ASP CB C 13 42.325 0.066 . 1 . . 449 . A 115 ASP CB . 31035 1 933 . 1 . 1 115 115 ASP N N 15 128.350 0.014 . 1 . . 77 . A 115 ASP N . 31035 1 934 . 1 . 1 116 116 ALA H H 1 8.774 0.002 . 1 . . 46 . A 116 ALA H . 31035 1 935 . 1 . 1 116 116 ALA HA H 1 4.127 0.004 . 1 . . 509 . A 116 ALA HA . 31035 1 936 . 1 . 1 116 116 ALA HB1 H 1 1.532 0.007 . 1 . . 539 . A 116 ALA HB1 . 31035 1 937 . 1 . 1 116 116 ALA HB2 H 1 1.532 0.007 . 1 . . 539 . A 116 ALA HB2 . 31035 1 938 . 1 . 1 116 116 ALA HB3 H 1 1.532 0.007 . 1 . . 539 . A 116 ALA HB3 . 31035 1 939 . 1 . 1 116 116 ALA CA C 13 55.197 0.135 . 1 . . 510 . A 116 ALA CA . 31035 1 940 . 1 . 1 116 116 ALA CB C 13 18.635 0.107 . 1 . . 540 . A 116 ALA CB . 31035 1 941 . 1 . 1 116 116 ALA N N 15 127.693 0.019 . 1 . . 47 . A 116 ALA N . 31035 1 942 . 1 . 1 117 117 SER H H 1 8.712 0.002 . 1 . . 95 . A 117 SER H . 31035 1 943 . 1 . 1 117 117 SER HA H 1 4.278 0.005 . 1 . . 560 . A 117 SER HA . 31035 1 944 . 1 . 1 117 117 SER HB2 H 1 3.934 0.005 . 1 . . 541 . A 117 SER HB2 . 31035 1 945 . 1 . 1 117 117 SER CA C 13 61.073 0.102 . 1 . . 561 . A 117 SER CA . 31035 1 946 . 1 . 1 117 117 SER CB C 13 62.793 0.034 . 1 . . 542 . A 117 SER CB . 31035 1 947 . 1 . 1 117 117 SER N N 15 113.816 0.026 . 1 . . 96 . A 117 SER N . 31035 1 948 . 1 . 1 118 118 ASP H H 1 7.740 0.004 . 1 . . 368 . A 118 ASP H . 31035 1 949 . 1 . 1 118 118 ASP HA H 1 4.757 0.017 . 1 . . 517 . A 118 ASP HA . 31035 1 950 . 1 . 1 118 118 ASP HB2 H 1 2.713 0.014 . 2 . . 867 . A 118 ASP HB2 . 31035 1 951 . 1 . 1 118 118 ASP HB3 H 1 2.650 0.003 . 2 . . 1071 . A 118 ASP HB3 . 31035 1 952 . 1 . 1 118 118 ASP CA C 13 55.363 0.04 . 1 . . 518 . A 118 ASP CA . 31035 1 953 . 1 . 1 118 118 ASP CB C 13 41.324 0.041 . 1 . . 866 . A 118 ASP CB . 31035 1 954 . 1 . 1 118 118 ASP N N 15 121.429 0.045 . 1 . . 369 . A 118 ASP N . 31035 1 955 . 1 . 1 119 119 ALA H H 1 7.899 0.001 . 1 . . 219 . A 119 ALA H . 31035 1 956 . 1 . 1 119 119 ALA CA C 13 56.073 . . 1 . . 360 . A 119 ALA CA . 31035 1 957 . 1 . 1 119 119 ALA CB C 13 18.421 0.099 . 1 . . 359 . A 119 ALA CB . 31035 1 958 . 1 . 1 119 119 ALA N N 15 122.592 0.024 . 1 . . 220 . A 119 ALA N . 31035 1 959 . 1 . 1 120 120 ALA H H 1 8.085 0.002 . 1 . . 22 . A 120 ALA H . 31035 1 960 . 1 . 1 120 120 ALA HA H 1 3.922 0.003 . 1 . . 427 . A 120 ALA HA . 31035 1 961 . 1 . 1 120 120 ALA HB1 H 1 1.370 0.008 . 1 . . 868 . A 120 ALA HB1 . 31035 1 962 . 1 . 1 120 120 ALA HB2 H 1 1.370 0.008 . 1 . . 868 . A 120 ALA HB2 . 31035 1 963 . 1 . 1 120 120 ALA HB3 H 1 1.370 0.008 . 1 . . 868 . A 120 ALA HB3 . 31035 1 964 . 1 . 1 120 120 ALA CA C 13 55.454 0.025 . 1 . . 428 . A 120 ALA CA . 31035 1 965 . 1 . 1 120 120 ALA CB C 13 17.012 0.153 . 1 . . 869 . A 120 ALA CB . 31035 1 966 . 1 . 1 120 120 ALA N N 15 119.577 0.011 . 1 . . 23 . A 120 ALA N . 31035 1 967 . 1 . 1 121 121 GLU HA H 1 3.859 . . 1 . . 1168 . A 121 GLU HA . 31035 1 968 . 1 . 1 121 121 GLU HB2 H 1 1.955 . . 2 . . 1169 . A 121 GLU HB2 . 31035 1 969 . 1 . 1 121 121 GLU HB3 H 1 1.974 . . 2 . . 1170 . A 121 GLU HB3 . 31035 1 970 . 1 . 1 121 121 GLU HG2 H 1 2.184 . . 2 . . 1171 . A 121 GLU HG2 . 31035 1 971 . 1 . 1 121 121 GLU HG3 H 1 2.183 0.023 . 2 . . 1172 . A 121 GLU HG3 . 31035 1 972 . 1 . 1 121 121 GLU CA C 13 59.916 0.002 . 1 . . 1165 . A 121 GLU CA . 31035 1 973 . 1 . 1 121 121 GLU CB C 13 29.725 0.037 . 1 . . 1166 . A 121 GLU CB . 31035 1 974 . 1 . 1 121 121 GLU CG C 13 36.426 . . 1 . . 1167 . A 121 GLU CG . 31035 1 975 . 1 . 1 122 122 LEU H H 1 8.464 0.002 . 1 . . 233 . A 122 LEU H . 31035 1 976 . 1 . 1 122 122 LEU HA H 1 4.097 0.004 . 1 . . 1173 . A 122 LEU HA . 31035 1 977 . 1 . 1 122 122 LEU HB2 H 1 1.713 0.007 . 2 . . 1176 . A 122 LEU HB2 . 31035 1 978 . 1 . 1 122 122 LEU HB3 H 1 1.741 . . 2 . . 1177 . A 122 LEU HB3 . 31035 1 979 . 1 . 1 122 122 LEU HG H 1 1.262 . . 1 . . 1175 . A 122 LEU HG . 31035 1 980 . 1 . 1 122 122 LEU HD11 H 1 0.778 . . 2 . . 1174 . A 122 LEU HD11 . 31035 1 981 . 1 . 1 122 122 LEU HD12 H 1 0.778 . . 2 . . 1174 . A 122 LEU HD12 . 31035 1 982 . 1 . 1 122 122 LEU HD13 H 1 0.778 . . 2 . . 1174 . A 122 LEU HD13 . 31035 1 983 . 1 . 1 122 122 LEU HD21 H 1 0.804 . . 2 . . 1178 . A 122 LEU HD21 . 31035 1 984 . 1 . 1 122 122 LEU HD22 H 1 0.804 . . 2 . . 1178 . A 122 LEU HD22 . 31035 1 985 . 1 . 1 122 122 LEU HD23 H 1 0.804 . . 2 . . 1178 . A 122 LEU HD23 . 31035 1 986 . 1 . 1 122 122 LEU CA C 13 57.461 0.1 . 1 . . 831 . A 122 LEU CA . 31035 1 987 . 1 . 1 122 122 LEU CB C 13 42.555 0.103 . 1 . . 832 . A 122 LEU CB . 31035 1 988 . 1 . 1 122 122 LEU CG C 13 26.628 . . 1 . . 833 . A 122 LEU CG . 31035 1 989 . 1 . 1 122 122 LEU N N 15 120.371 0.024 . 1 . . 234 . A 122 LEU N . 31035 1 990 . 1 . 1 123 123 SER H H 1 8.281 0.003 . 1 . . 62 . A 123 SER H . 31035 1 991 . 1 . 1 123 123 SER HA H 1 3.937 . . 1 . . 872 . A 123 SER HA . 31035 1 992 . 1 . 1 123 123 SER HB2 H 1 3.857 . . 1 . . 873 . A 123 SER HB2 . 31035 1 993 . 1 . 1 123 123 SER CB C 13 62.345 0.221 . 1 . . 874 . A 123 SER CB . 31035 1 994 . 1 . 1 123 123 SER N N 15 113.787 0.022 . 1 . . 63 . A 123 SER N . 31035 1 995 . 1 . 1 124 124 TRP H H 1 7.565 0.004 . 1 . . 135 . A 124 TRP H . 31035 1 996 . 1 . 1 124 124 TRP HB2 H 1 3.393 . . 1 . . 875 . A 124 TRP HB2 . 31035 1 997 . 1 . 1 124 124 TRP CA C 13 59.459 0.087 . 1 . . 865 . A 124 TRP CA . 31035 1 998 . 1 . 1 124 124 TRP CB C 13 28.910 0.07 . 1 . . 876 . A 124 TRP CB . 31035 1 999 . 1 . 1 124 124 TRP N N 15 120.683 0.024 . 1 . . 136 . A 124 TRP N . 31035 1 1000 . 1 . 1 125 125 GLU H H 1 7.747 0.004 . 1 . . 249 . A 125 GLU H . 31035 1 1001 . 1 . 1 125 125 GLU HA H 1 4.150 . . 1 . . 882 . A 125 GLU HA . 31035 1 1002 . 1 . 1 125 125 GLU HG2 H 1 2.035 . . 2 . . 880 . A 125 GLU HG2 . 31035 1 1003 . 1 . 1 125 125 GLU HG3 H 1 2.235 . . 2 . . 881 . A 125 GLU HG3 . 31035 1 1004 . 1 . 1 125 125 GLU CA C 13 59.285 . . 1 . . 877 . A 125 GLU CA . 31035 1 1005 . 1 . 1 125 125 GLU CB C 13 28.908 . . 1 . . 878 . A 125 GLU CB . 31035 1 1006 . 1 . 1 125 125 GLU CG C 13 35.278 . . 1 . . 879 . A 125 GLU CG . 31035 1 1007 . 1 . 1 125 125 GLU N N 15 121.414 0.016 . 1 . . 250 . A 125 GLU N . 31035 1 1008 . 1 . 1 126 126 ILE H H 1 8.558 0.002 . 1 . . 28 . A 126 ILE H . 31035 1 1009 . 1 . 1 126 126 ILE HA H 1 3.630 0.006 . 1 . . 885 . A 126 ILE HA . 31035 1 1010 . 1 . 1 126 126 ILE HB H 1 2.044 0.008 . 1 . . 478 . A 126 ILE HB . 31035 1 1011 . 1 . 1 126 126 ILE HG12 H 1 1.126 0.005 . 2 . . 883 . A 126 ILE HG12 . 31035 1 1012 . 1 . 1 126 126 ILE HG13 H 1 1.698 0.009 . 2 . . 884 . A 126 ILE HG13 . 31035 1 1013 . 1 . 1 126 126 ILE HG21 H 1 0.801 0.007 . 1 . . 480 . A 126 ILE HG21 . 31035 1 1014 . 1 . 1 126 126 ILE HG22 H 1 0.801 0.007 . 1 . . 480 . A 126 ILE HG22 . 31035 1 1015 . 1 . 1 126 126 ILE HG23 H 1 0.801 0.007 . 1 . . 480 . A 126 ILE HG23 . 31035 1 1016 . 1 . 1 126 126 ILE HD11 H 1 0.747 0.01 . 1 . . 446 . A 126 ILE HD11 . 31035 1 1017 . 1 . 1 126 126 ILE HD12 H 1 0.747 0.01 . 1 . . 446 . A 126 ILE HD12 . 31035 1 1018 . 1 . 1 126 126 ILE HD13 H 1 0.747 0.01 . 1 . . 446 . A 126 ILE HD13 . 31035 1 1019 . 1 . 1 126 126 ILE CA C 13 64.884 0.031 . 1 . . 295 . A 126 ILE CA . 31035 1 1020 . 1 . 1 126 126 ILE CB C 13 36.650 0.067 . 1 . . 479 . A 126 ILE CB . 31035 1 1021 . 1 . 1 126 126 ILE CG1 C 13 29.759 0.056 . 1 . . 380 . A 126 ILE CG1 . 31035 1 1022 . 1 . 1 126 126 ILE CG2 C 13 18.041 0.022 . 1 . . 481 . A 126 ILE CG2 . 31035 1 1023 . 1 . 1 126 126 ILE CD1 C 13 13.226 0.048 . 1 . . 447 . A 126 ILE CD1 . 31035 1 1024 . 1 . 1 126 126 ILE N N 15 118.834 0.025 . 1 . . 29 . A 126 ILE N . 31035 1 1025 . 1 . 1 127 127 GLN H H 1 8.181 0.003 . 1 . . 123 . A 127 GLN H . 31035 1 1026 . 1 . 1 127 127 GLN HA H 1 3.835 0.009 . 1 . . 888 . A 127 GLN HA . 31035 1 1027 . 1 . 1 127 127 GLN HB2 H 1 2.228 0.001 . 2 . . 1519 . A 127 GLN HB2 . 31035 1 1028 . 1 . 1 127 127 GLN HB3 H 1 2.511 0.0 . 2 . . 1520 . A 127 GLN HB3 . 31035 1 1029 . 1 . 1 127 127 GLN HG2 H 1 2.073 0.005 . 2 . . 889 . A 127 GLN HG2 . 31035 1 1030 . 1 . 1 127 127 GLN HG3 H 1 2.433 0.002 . 2 . . 1518 . A 127 GLN HG3 . 31035 1 1031 . 1 . 1 127 127 GLN CA C 13 60.144 . . 1 . . 886 . A 127 GLN CA . 31035 1 1032 . 1 . 1 127 127 GLN CB C 13 28.211 0.048 . 1 . . 316 . A 127 GLN CB . 31035 1 1033 . 1 . 1 127 127 GLN CG C 13 34.453 0.049 . 1 . . 887 . A 127 GLN CG . 31035 1 1034 . 1 . 1 127 127 GLN N N 15 120.876 0.021 . 1 . . 124 . A 127 GLN N . 31035 1 1035 . 1 . 1 128 128 ALA H H 1 8.159 0.003 . 1 . . 56 . A 128 ALA H . 31035 1 1036 . 1 . 1 128 128 ALA HA H 1 3.909 0.008 . 1 . . 890 . A 128 ALA HA . 31035 1 1037 . 1 . 1 128 128 ALA HB1 H 1 1.760 0.003 . 1 . . 511 . A 128 ALA HB1 . 31035 1 1038 . 1 . 1 128 128 ALA HB2 H 1 1.760 0.003 . 1 . . 511 . A 128 ALA HB2 . 31035 1 1039 . 1 . 1 128 128 ALA HB3 H 1 1.760 0.003 . 1 . . 511 . A 128 ALA HB3 . 31035 1 1040 . 1 . 1 128 128 ALA CA C 13 55.443 0.077 . 1 . . 891 . A 128 ALA CA . 31035 1 1041 . 1 . 1 128 128 ALA CB C 13 18.074 0.122 . 1 . . 512 . A 128 ALA CB . 31035 1 1042 . 1 . 1 128 128 ALA N N 15 119.146 0.047 . 1 . . 57 . A 128 ALA N . 31035 1 1043 . 1 . 1 129 129 ILE H H 1 8.031 0.003 . 1 . . 263 . A 129 ILE H . 31035 1 1044 . 1 . 1 129 129 ILE HA H 1 3.654 0.006 . 1 . . 894 . A 129 ILE HA . 31035 1 1045 . 1 . 1 129 129 ILE HB H 1 2.187 0.006 . 1 . . 895 . A 129 ILE HB . 31035 1 1046 . 1 . 1 129 129 ILE HG12 H 1 2.004 0.007 . 1 . . 896 . A 129 ILE HG12 . 31035 1 1047 . 1 . 1 129 129 ILE HG21 H 1 0.983 0.012 . 1 . . 897 . A 129 ILE HG21 . 31035 1 1048 . 1 . 1 129 129 ILE HG22 H 1 0.983 0.012 . 1 . . 897 . A 129 ILE HG22 . 31035 1 1049 . 1 . 1 129 129 ILE HG23 H 1 0.983 0.012 . 1 . . 897 . A 129 ILE HG23 . 31035 1 1050 . 1 . 1 129 129 ILE HD11 H 1 0.834 0.008 . 1 . . 1072 . A 129 ILE HD11 . 31035 1 1051 . 1 . 1 129 129 ILE HD12 H 1 0.834 0.008 . 1 . . 1072 . A 129 ILE HD12 . 31035 1 1052 . 1 . 1 129 129 ILE HD13 H 1 0.834 0.008 . 1 . . 1072 . A 129 ILE HD13 . 31035 1 1053 . 1 . 1 129 129 ILE CA C 13 66.120 0.101 . 1 . . 371 . A 129 ILE CA . 31035 1 1054 . 1 . 1 129 129 ILE CB C 13 37.200 0.05 . 1 . . 372 . A 129 ILE CB . 31035 1 1055 . 1 . 1 129 129 ILE CG1 C 13 30.335 0.0 . 1 . . 892 . A 129 ILE CG1 . 31035 1 1056 . 1 . 1 129 129 ILE CG2 C 13 18.826 0.284 . 1 . . 387 . A 129 ILE CG2 . 31035 1 1057 . 1 . 1 129 129 ILE CD1 C 13 14.106 0.142 . 1 . . 893 . A 129 ILE CD1 . 31035 1 1058 . 1 . 1 129 129 ILE N N 15 121.508 0.037 . 1 . . 264 . A 129 ILE N . 31035 1 1059 . 1 . 1 130 130 THR H H 1 9.180 0.004 . 1 . . 177 . A 130 THR H . 31035 1 1060 . 1 . 1 130 130 THR HG21 H 1 1.273 . . 1 . . 900 . A 130 THR HG21 . 31035 1 1061 . 1 . 1 130 130 THR HG22 H 1 1.273 . . 1 . . 900 . A 130 THR HG22 . 31035 1 1062 . 1 . 1 130 130 THR HG23 H 1 1.273 . . 1 . . 900 . A 130 THR HG23 . 31035 1 1063 . 1 . 1 130 130 THR CB C 13 68.439 . . 1 . . 899 . A 130 THR CB . 31035 1 1064 . 1 . 1 130 130 THR CG2 C 13 22.436 . . 1 . . 898 . A 130 THR CG2 . 31035 1 1065 . 1 . 1 130 130 THR N N 15 121.864 0.017 . 1 . . 178 . A 130 THR N . 31035 1 1066 . 1 . 1 131 131 ALA H H 1 7.211 0.002 . 1 . . 277 . A 131 ALA H . 31035 1 1067 . 1 . 1 131 131 ALA CA C 13 55.555 . . 1 . . 1193 . A 131 ALA CA . 31035 1 1068 . 1 . 1 131 131 ALA CB C 13 14.774 . . 1 . . 1192 . A 131 ALA CB . 31035 1 1069 . 1 . 1 131 131 ALA N N 15 121.748 0.016 . 1 . . 278 . A 131 ALA N . 31035 1 1070 . 1 . 1 132 132 LYS HA H 1 3.950 . . 1 . . 907 . A 132 LYS HA . 31035 1 1071 . 1 . 1 132 132 LYS HB2 H 1 1.998 . . 1 . . 905 . A 132 LYS HB2 . 31035 1 1072 . 1 . 1 132 132 LYS HD2 H 1 1.690 . . 1 . . 904 . A 132 LYS HD2 . 31035 1 1073 . 1 . 1 132 132 LYS HE2 H 1 3.050 . . 1 . . 906 . A 132 LYS HE2 . 31035 1 1074 . 1 . 1 132 132 LYS CG C 13 25.581 . . 1 . . 903 . A 132 LYS CG . 31035 1 1075 . 1 . 1 133 133 ALA H H 1 9.271 0.005 . 1 . . 107 . A 133 ALA H . 31035 1 1076 . 1 . 1 133 133 ALA HA H 1 4.245 0.005 . 1 . . 515 . A 133 ALA HA . 31035 1 1077 . 1 . 1 133 133 ALA HB1 H 1 1.481 0.006 . 1 . . 908 . A 133 ALA HB1 . 31035 1 1078 . 1 . 1 133 133 ALA HB2 H 1 1.481 0.006 . 1 . . 908 . A 133 ALA HB2 . 31035 1 1079 . 1 . 1 133 133 ALA HB3 H 1 1.481 0.006 . 1 . . 908 . A 133 ALA HB3 . 31035 1 1080 . 1 . 1 133 133 ALA CA C 13 54.997 0.153 . 1 . . 516 . A 133 ALA CA . 31035 1 1081 . 1 . 1 133 133 ALA CB C 13 17.646 0.244 . 1 . . 909 . A 133 ALA CB . 31035 1 1082 . 1 . 1 133 133 ALA N N 15 126.279 0.033 . 1 . . 108 . A 133 ALA N . 31035 1 1083 . 1 . 1 134 134 ALA H H 1 8.328 0.002 . 1 . . 253 . A 134 ALA H . 31035 1 1084 . 1 . 1 134 134 ALA HA H 1 3.528 0.004 . 1 . . 420 . A 134 ALA HA . 31035 1 1085 . 1 . 1 134 134 ALA HB1 H 1 0.198 0.009 . 1 . . 901 . A 134 ALA HB1 . 31035 1 1086 . 1 . 1 134 134 ALA HB2 H 1 0.198 0.009 . 1 . . 901 . A 134 ALA HB2 . 31035 1 1087 . 1 . 1 134 134 ALA HB3 H 1 0.198 0.009 . 1 . . 901 . A 134 ALA HB3 . 31035 1 1088 . 1 . 1 134 134 ALA CA C 13 55.564 0.231 . 1 . . 421 . A 134 ALA CA . 31035 1 1089 . 1 . 1 134 134 ALA CB C 13 14.718 . . 1 . . 902 . A 134 ALA CB . 31035 1 1090 . 1 . 1 134 134 ALA N N 15 117.236 0.013 . 1 . . 254 . A 134 ALA N . 31035 1 1091 . 1 . 1 135 135 LYS H H 1 8.151 0.014 . 1 . . 86 . A 135 LYS H . 31035 1 1092 . 1 . 1 135 135 LYS HA H 1 4.736 0.008 . 1 . . 545 . A 135 LYS HA . 31035 1 1093 . 1 . 1 135 135 LYS HB2 H 1 2.249 0.006 . 2 . . 913 . A 135 LYS HB2 . 31035 1 1094 . 1 . 1 135 135 LYS HB3 H 1 2.079 0.007 . 2 . . 914 . A 135 LYS HB3 . 31035 1 1095 . 1 . 1 135 135 LYS HG2 H 1 1.456 0.009 . 2 . . 911 . A 135 LYS HG2 . 31035 1 1096 . 1 . 1 135 135 LYS HG3 H 1 1.635 0.008 . 2 . . 912 . A 135 LYS HG3 . 31035 1 1097 . 1 . 1 135 135 LYS HD2 H 1 2.251 0.006 . 2 . . 588 . A 135 LYS HD2 . 31035 1 1098 . 1 . 1 135 135 LYS HD3 H 1 2.040 0.017 . 2 . . 1074 . A 135 LYS HD3 . 31035 1 1099 . 1 . 1 135 135 LYS HE2 H 1 2.865 0.005 . 2 . . 429 . A 135 LYS HE2 . 31035 1 1100 . 1 . 1 135 135 LYS HE3 H 1 3.053 0.007 . 2 . . 1073 . A 135 LYS HE3 . 31035 1 1101 . 1 . 1 135 135 LYS CA C 13 59.273 0.059 . 1 . . 546 . A 135 LYS CA . 31035 1 1102 . 1 . 1 135 135 LYS CB C 13 33.364 0.018 . 1 . . 370 . A 135 LYS CB . 31035 1 1103 . 1 . 1 135 135 LYS CG C 13 25.264 . . 1 . . 910 . A 135 LYS CG . 31035 1 1104 . 1 . 1 135 135 LYS CD C 13 30.492 0.078 . 1 . . 1075 . A 135 LYS CD . 31035 1 1105 . 1 . 1 135 135 LYS CE C 13 42.460 0.085 . 1 . . 430 . A 135 LYS CE . 31035 1 1106 . 1 . 1 135 135 LYS N N 15 118.227 0.105 . 1 . . 87 . A 135 LYS N . 31035 1 1107 . 1 . 1 136 136 THR H H 1 8.632 0.002 . 1 . . 143 . A 136 THR H . 31035 1 1108 . 1 . 1 136 136 THR HA H 1 4.383 0.004 . 1 . . 915 . A 136 THR HA . 31035 1 1109 . 1 . 1 136 136 THR HB H 1 3.918 0.002 . 1 . . 469 . A 136 THR HB . 31035 1 1110 . 1 . 1 136 136 THR HG21 H 1 1.169 0.004 . 1 . . 916 . A 136 THR HG21 . 31035 1 1111 . 1 . 1 136 136 THR HG22 H 1 1.169 0.004 . 1 . . 916 . A 136 THR HG22 . 31035 1 1112 . 1 . 1 136 136 THR HG23 H 1 1.169 0.004 . 1 . . 916 . A 136 THR HG23 . 31035 1 1113 . 1 . 1 136 136 THR CA C 13 68.493 0.01 . 1 . . 366 . A 136 THR CA . 31035 1 1114 . 1 . 1 136 136 THR CB C 13 67.233 0.016 . 1 . . 470 . A 136 THR CB . 31035 1 1115 . 1 . 1 136 136 THR CG2 C 13 21.150 0.072 . 1 . . 917 . A 136 THR CG2 . 31035 1 1116 . 1 . 1 136 136 THR N N 15 120.769 0.038 . 1 . . 144 . A 136 THR N . 31035 1 1117 . 1 . 1 137 137 LEU H H 1 7.513 0.004 . 1 . . 20 . A 137 LEU H . 31035 1 1118 . 1 . 1 137 137 LEU HA H 1 4.015 0.004 . 1 . . 1076 . A 137 LEU HA . 31035 1 1119 . 1 . 1 137 137 LEU HB2 H 1 2.037 0.005 . 2 . . 921 . A 137 LEU HB2 . 31035 1 1120 . 1 . 1 137 137 LEU HB3 H 1 1.035 0.004 . 2 . . 923 . A 137 LEU HB3 . 31035 1 1121 . 1 . 1 137 137 LEU HG H 1 0.636 0.006 . 1 . . 924 . A 137 LEU HG . 31035 1 1122 . 1 . 1 137 137 LEU HD11 H 1 1.852 0.007 . 2 . . 922 . A 137 LEU HD11 . 31035 1 1123 . 1 . 1 137 137 LEU HD12 H 1 1.852 0.007 . 2 . . 922 . A 137 LEU HD12 . 31035 1 1124 . 1 . 1 137 137 LEU HD13 H 1 1.852 0.007 . 2 . . 922 . A 137 LEU HD13 . 31035 1 1125 . 1 . 1 137 137 LEU HD21 H 1 0.435 0.007 . 2 . . 925 . A 137 LEU HD21 . 31035 1 1126 . 1 . 1 137 137 LEU HD22 H 1 0.435 0.007 . 2 . . 925 . A 137 LEU HD22 . 31035 1 1127 . 1 . 1 137 137 LEU HD23 H 1 0.435 0.007 . 2 . . 925 . A 137 LEU HD23 . 31035 1 1128 . 1 . 1 137 137 LEU CA C 13 55.615 0.039 . 1 . . 424 . A 137 LEU CA . 31035 1 1129 . 1 . 1 137 137 LEU CB C 13 41.895 0.058 . 1 . . 600 . A 137 LEU CB . 31035 1 1130 . 1 . 1 137 137 LEU CG C 13 26.351 0.243 . 1 . . 918 . A 137 LEU CG . 31035 1 1131 . 1 . 1 137 137 LEU CD1 C 13 24.852 0.0 . 2 . . 919 . A 137 LEU CD1 . 31035 1 1132 . 1 . 1 137 137 LEU CD2 C 13 20.651 0.0 . 2 . . 920 . A 137 LEU CD2 . 31035 1 1133 . 1 . 1 137 137 LEU N N 15 118.741 0.006 . 1 . . 21 . A 137 LEU N . 31035 1 1134 . 1 . 1 138 138 GLY H H 1 7.769 0.002 . 1 . . 279 . A 138 GLY H . 31035 1 1135 . 1 . 1 138 138 GLY HA2 H 1 4.112 0.005 . 2 . . 468 . A 138 GLY HA2 . 31035 1 1136 . 1 . 1 138 138 GLY HA3 H 1 3.638 0.002 . 2 . . 524 . A 138 GLY HA3 . 31035 1 1137 . 1 . 1 138 138 GLY CA C 13 44.730 0.066 . 1 . . 525 . A 138 GLY CA . 31035 1 1138 . 1 . 1 138 138 GLY N N 15 105.009 0.017 . 1 . . 280 . A 138 GLY N . 31035 1 1139 . 1 . 1 139 139 PHE H H 1 7.967 0.003 . 1 . . 167 . A 139 PHE H . 31035 1 1140 . 1 . 1 139 139 PHE HA H 1 4.533 0.003 . 1 . . 929 . A 139 PHE HA . 31035 1 1141 . 1 . 1 139 139 PHE HB2 H 1 3.615 0.003 . 2 . . 928 . A 139 PHE HB2 . 31035 1 1142 . 1 . 1 139 139 PHE HB3 H 1 3.616 0.001 . 2 . . 1455 . A 139 PHE HB3 . 31035 1 1143 . 1 . 1 139 139 PHE CA C 13 58.724 0.099 . 1 . . 927 . A 139 PHE CA . 31035 1 1144 . 1 . 1 139 139 PHE CB C 13 39.852 0.099 . 1 . . 926 . A 139 PHE CB . 31035 1 1145 . 1 . 1 139 139 PHE N N 15 119.396 0.092 . 1 . . 168 . A 139 PHE N . 31035 1 1146 . 1 . 1 140 140 ARG H H 1 8.564 0.003 . 1 . . 165 . A 140 ARG H . 31035 1 1147 . 1 . 1 140 140 ARG HA H 1 4.474 0.002 . 1 . . 934 . A 140 ARG HA . 31035 1 1148 . 1 . 1 140 140 ARG HB2 H 1 1.837 0.005 . 2 . . 931 . A 140 ARG HB2 . 31035 1 1149 . 1 . 1 140 140 ARG HB3 H 1 1.951 0.004 . 2 . . 932 . A 140 ARG HB3 . 31035 1 1150 . 1 . 1 140 140 ARG HG2 H 1 1.579 0.006 . 2 . . 930 . A 140 ARG HG2 . 31035 1 1151 . 1 . 1 140 140 ARG HG3 H 1 1.827 0.004 . 2 . . 1077 . A 140 ARG HG3 . 31035 1 1152 . 1 . 1 140 140 ARG HD2 H 1 3.037 0.005 . 2 . . 933 . A 140 ARG HD2 . 31035 1 1153 . 1 . 1 140 140 ARG HD3 H 1 3.290 0.004 . 2 . . 1078 . A 140 ARG HD3 . 31035 1 1154 . 1 . 1 140 140 ARG CA C 13 55.734 0.099 . 1 . . 935 . A 140 ARG CA . 31035 1 1155 . 1 . 1 140 140 ARG CB C 13 30.421 0.093 . 1 . . 352 . A 140 ARG CB . 31035 1 1156 . 1 . 1 140 140 ARG CG C 13 26.386 0.14 . 1 . . 937 . A 140 ARG CG . 31035 1 1157 . 1 . 1 140 140 ARG CD C 13 41.792 0.082 . 1 . . 936 . A 140 ARG CD . 31035 1 1158 . 1 . 1 140 140 ARG N N 15 120.921 0.012 . 1 . . 166 . A 140 ARG N . 31035 1 1159 . 1 . 1 141 141 GLY H H 1 7.826 0.005 . 1 . . 259 . A 141 GLY H . 31035 1 1160 . 1 . 1 141 141 GLY HA2 H 1 4.257 0.005 . 2 . . 405 . A 141 GLY HA2 . 31035 1 1161 . 1 . 1 141 141 GLY HA3 H 1 4.778 0.001 . 2 . . 1079 . A 141 GLY HA3 . 31035 1 1162 . 1 . 1 141 141 GLY CA C 13 46.156 0.022 . 1 . . 406 . A 141 GLY CA . 31035 1 1163 . 1 . 1 141 141 GLY N N 15 101.406 0.013 . 1 . . 260 . A 141 GLY N . 31035 1 1164 . 1 . 1 142 142 VAL H H 1 8.617 0.004 . 1 . . 221 . A 142 VAL H . 31035 1 1165 . 1 . 1 142 142 VAL HA H 1 5.778 0.002 . 1 . . 435 . A 142 VAL HA . 31035 1 1166 . 1 . 1 142 142 VAL HB H 1 1.767 0.001 . 1 . . 938 . A 142 VAL HB . 31035 1 1167 . 1 . 1 142 142 VAL HG11 H 1 0.933 0.002 . 2 . . 939 . A 142 VAL HG11 . 31035 1 1168 . 1 . 1 142 142 VAL HG12 H 1 0.933 0.002 . 2 . . 939 . A 142 VAL HG12 . 31035 1 1169 . 1 . 1 142 142 VAL HG13 H 1 0.933 0.002 . 2 . . 939 . A 142 VAL HG13 . 31035 1 1170 . 1 . 1 142 142 VAL HG21 H 1 0.786 0.001 . 2 . . 940 . A 142 VAL HG21 . 31035 1 1171 . 1 . 1 142 142 VAL HG22 H 1 0.786 0.001 . 2 . . 940 . A 142 VAL HG22 . 31035 1 1172 . 1 . 1 142 142 VAL HG23 H 1 0.786 0.001 . 2 . . 940 . A 142 VAL HG23 . 31035 1 1173 . 1 . 1 142 142 VAL CA C 13 56.904 0.04 . 1 . . 436 . A 142 VAL CA . 31035 1 1174 . 1 . 1 142 142 VAL CB C 13 35.592 0.039 . 1 . . 327 . A 142 VAL CB . 31035 1 1175 . 1 . 1 142 142 VAL CG1 C 13 21.304 0.0 . 2 . . 941 . A 142 VAL CG1 . 31035 1 1176 . 1 . 1 142 142 VAL CG2 C 13 19.693 0.006 . 2 . . 942 . A 142 VAL CG2 . 31035 1 1177 . 1 . 1 142 142 VAL N N 15 116.693 0.006 . 1 . . 222 . A 142 VAL N . 31035 1 1178 . 1 . 1 143 143 SER H H 1 8.553 0.002 . 1 . . 205 . A 143 SER H . 31035 1 1179 . 1 . 1 143 143 SER HA H 1 5.282 0.002 . 1 . . 1452 . A 143 SER HA . 31035 1 1180 . 1 . 1 143 143 SER HB2 H 1 3.579 0.005 . 2 . . 943 . A 143 SER HB2 . 31035 1 1181 . 1 . 1 143 143 SER HB3 H 1 3.438 0.002 . 2 . . 944 . A 143 SER HB3 . 31035 1 1182 . 1 . 1 143 143 SER CA C 13 55.078 0.044 . 1 . . 1451 . A 143 SER CA . 31035 1 1183 . 1 . 1 143 143 SER CB C 13 66.128 0.048 . 1 . . 353 . A 143 SER CB . 31035 1 1184 . 1 . 1 143 143 SER N N 15 121.317 0.01 . 1 . . 206 . A 143 SER N . 31035 1 1185 . 1 . 1 144 144 MET H H 1 8.769 0.001 . 1 . . 30 . A 144 MET H . 31035 1 1186 . 1 . 1 144 144 MET HA H 1 4.758 0.003 . 1 . . 947 . A 144 MET HA . 31035 1 1187 . 1 . 1 144 144 MET HB2 H 1 2.056 0.003 . 2 . . 945 . A 144 MET HB2 . 31035 1 1188 . 1 . 1 144 144 MET HB3 H 1 2.057 0.002 . 2 . . 1457 . A 144 MET HB3 . 31035 1 1189 . 1 . 1 144 144 MET HG2 H 1 2.294 0.005 . 2 . . 946 . A 144 MET HG2 . 31035 1 1190 . 1 . 1 144 144 MET HG3 H 1 2.295 0.001 . 2 . . 1456 . A 144 MET HG3 . 31035 1 1191 . 1 . 1 144 144 MET HE1 H 1 1.895 0.003 . 1 . . 1458 . A 144 MET HE1 . 31035 1 1192 . 1 . 1 144 144 MET HE2 H 1 1.895 0.003 . 1 . . 1458 . A 144 MET HE2 . 31035 1 1193 . 1 . 1 144 144 MET HE3 H 1 1.895 0.003 . 1 . . 1458 . A 144 MET HE3 . 31035 1 1194 . 1 . 1 144 144 MET CA C 13 54.717 0.002 . 1 . . 948 . A 144 MET CA . 31035 1 1195 . 1 . 1 144 144 MET CB C 13 35.372 0.007 . 1 . . 354 . A 144 MET CB . 31035 1 1196 . 1 . 1 144 144 MET CG C 13 31.419 0.013 . 1 . . 949 . A 144 MET CG . 31035 1 1197 . 1 . 1 144 144 MET CE C 13 17.936 0.015 . 1 . . 1459 . A 144 MET CE . 31035 1 1198 . 1 . 1 144 144 MET N N 15 120.352 0.011 . 1 . . 31 . A 144 MET N . 31035 1 1199 . 1 . 1 145 145 GLN H H 1 8.708 0.002 . 1 . . 121 . A 145 GLN H . 31035 1 1200 . 1 . 1 145 145 GLN HA H 1 4.881 0.004 . 1 . . 950 . A 145 GLN HA . 31035 1 1201 . 1 . 1 145 145 GLN HB2 H 1 1.958 0.001 . 2 . . 952 . A 145 GLN HB2 . 31035 1 1202 . 1 . 1 145 145 GLN HB3 H 1 2.052 0.003 . 2 . . 1460 . A 145 GLN HB3 . 31035 1 1203 . 1 . 1 145 145 GLN HG2 H 1 2.337 0.003 . 2 . . 951 . A 145 GLN HG2 . 31035 1 1204 . 1 . 1 145 145 GLN HG3 H 1 2.337 0.003 . 2 . . 1461 . A 145 GLN HG3 . 31035 1 1205 . 1 . 1 145 145 GLN CA C 13 55.240 0.008 . 1 . . 355 . A 145 GLN CA . 31035 1 1206 . 1 . 1 145 145 GLN CB C 13 30.772 0.006 . 1 . . 356 . A 145 GLN CB . 31035 1 1207 . 1 . 1 145 145 GLN CG C 13 34.021 0.004 . 1 . . 1189 . A 145 GLN CG . 31035 1 1208 . 1 . 1 145 145 GLN N N 15 120.483 0.014 . 1 . . 122 . A 145 GLN N . 31035 1 1209 . 1 . 1 146 146 ASP H H 1 8.735 0.002 . 1 . . 207 . A 146 ASP H . 31035 1 1210 . 1 . 1 146 146 ASP HA H 1 4.772 0.001 . 1 . . 565 . A 146 ASP HA . 31035 1 1211 . 1 . 1 146 146 ASP HB2 H 1 3.056 0.001 . 2 . . 953 . A 146 ASP HB2 . 31035 1 1212 . 1 . 1 146 146 ASP HB3 H 1 2.718 0.001 . 2 . . 954 . A 146 ASP HB3 . 31035 1 1213 . 1 . 1 146 146 ASP CA C 13 52.788 0.007 . 1 . . 564 . A 146 ASP CA . 31035 1 1214 . 1 . 1 146 146 ASP CB C 13 42.264 0.002 . 1 . . 323 . A 146 ASP CB . 31035 1 1215 . 1 . 1 146 146 ASP N N 15 125.282 0.016 . 1 . . 208 . A 146 ASP N . 31035 1 1216 . 1 . 1 147 147 GLU H H 1 8.711 0.003 . 1 . . 5 . A 147 GLU H . 31035 1 1217 . 1 . 1 147 147 GLU HA H 1 4.034 0.004 . 1 . . 474 . A 147 GLU HA . 31035 1 1218 . 1 . 1 147 147 GLU HB2 H 1 2.047 0.001 . 1 . . 956 . A 147 GLU HB2 . 31035 1 1219 . 1 . 1 147 147 GLU HB3 H 1 2.047 0.001 . 1 . . 1462 . A 147 GLU HB3 . 31035 1 1220 . 1 . 1 147 147 GLU HG2 H 1 2.283 0.0 . 2 . . 957 . A 147 GLU HG2 . 31035 1 1221 . 1 . 1 147 147 GLU HG3 H 1 2.321 0.001 . 2 . . 1463 . A 147 GLU HG3 . 31035 1 1222 . 1 . 1 147 147 GLU CA C 13 59.263 0.053 . 1 . . 475 . A 147 GLU CA . 31035 1 1223 . 1 . 1 147 147 GLU CB C 13 29.420 0.13 . 1 . . 292 . A 147 GLU CB . 31035 1 1224 . 1 . 1 147 147 GLU CG C 13 36.396 0.049 . 1 . . 955 . A 147 GLU CG . 31035 1 1225 . 1 . 1 147 147 GLU N N 15 118.209 0.006 . 1 . . 6 . A 147 GLU N . 31035 1 1226 . 1 . 1 148 148 GLN H H 1 8.436 0.005 . 1 . . 171 . A 148 GLN H . 31035 1 1227 . 1 . 1 148 148 GLN CA C 13 56.130 . . 1 . . 348 . A 148 GLN CA . 31035 1 1228 . 1 . 1 148 148 GLN CB C 13 29.162 0.386 . 1 . . 358 . A 148 GLN CB . 31035 1 1229 . 1 . 1 148 148 GLN N N 15 116.444 0.029 . 1 . . 172 . A 148 GLN N . 31035 1 1230 . 1 . 1 149 149 GLY HA2 H 1 3.828 0.003 . 2 . . 958 . A 149 GLY HA2 . 31035 1 1231 . 1 . 1 149 149 GLY HA3 H 1 4.313 0.002 . 2 . . 1080 . A 149 GLY HA3 . 31035 1 1232 . 1 . 1 149 149 GLY CA C 13 45.417 0.005 . 1 . . 959 . A 149 GLY CA . 31035 1 1233 . 1 . 1 150 150 THR H H 1 8.310 0.004 . 1 . . 139 . A 150 THR H . 31035 1 1234 . 1 . 1 150 150 THR HA H 1 4.549 0.001 . 1 . . 418 . A 150 THR HA . 31035 1 1235 . 1 . 1 150 150 THR HB H 1 3.850 0.001 . 1 . . 501 . A 150 THR HB . 31035 1 1236 . 1 . 1 150 150 THR HG21 H 1 0.743 0.001 . 1 . . 1464 . A 150 THR HG21 . 31035 1 1237 . 1 . 1 150 150 THR HG22 H 1 0.743 0.001 . 1 . . 1464 . A 150 THR HG22 . 31035 1 1238 . 1 . 1 150 150 THR HG23 H 1 0.743 0.001 . 1 . . 1464 . A 150 THR HG23 . 31035 1 1239 . 1 . 1 150 150 THR CA C 13 63.268 0.02 . 1 . . 419 . A 150 THR CA . 31035 1 1240 . 1 . 1 150 150 THR CB C 13 69.866 0.014 . 1 . . 502 . A 150 THR CB . 31035 1 1241 . 1 . 1 150 150 THR CG2 C 13 21.819 0.003 . 1 . . 463 . A 150 THR CG2 . 31035 1 1242 . 1 . 1 150 150 THR N N 15 119.370 0.017 . 1 . . 140 . A 150 THR N . 31035 1 1243 . 1 . 1 151 151 CYS H H 1 9.083 0.003 . 1 . . 11 . A 151 CYS H . 31035 1 1244 . 1 . 1 151 151 CYS HA H 1 4.954 0.0 . 1 . . 431 . A 151 CYS HA . 31035 1 1245 . 1 . 1 151 151 CYS HB2 H 1 3.007 0.001 . 2 . . 484 . A 151 CYS HB2 . 31035 1 1246 . 1 . 1 151 151 CYS HB3 H 1 2.758 0.001 . 2 . . 492 . A 151 CYS HB3 . 31035 1 1247 . 1 . 1 151 151 CYS CA C 13 56.475 0.046 . 1 . . 432 . A 151 CYS CA . 31035 1 1248 . 1 . 1 151 151 CYS CB C 13 30.058 0.048 . 1 . . 493 . A 151 CYS CB . 31035 1 1249 . 1 . 1 151 151 CYS N N 15 126.687 0.011 . 1 . . 12 . A 151 CYS N . 31035 1 1250 . 1 . 1 152 152 TYR H H 1 9.100 0.004 . 1 . . 26 . A 152 TYR H . 31035 1 1251 . 1 . 1 152 152 TYR HA H 1 5.389 0.0 . 1 . . 482 . A 152 TYR HA . 31035 1 1252 . 1 . 1 152 152 TYR HB2 H 1 2.526 0.0 . 2 . . 961 . A 152 TYR HB2 . 31035 1 1253 . 1 . 1 152 152 TYR HB3 H 1 2.685 0.015 . 2 . . 962 . A 152 TYR HB3 . 31035 1 1254 . 1 . 1 152 152 TYR CA C 13 56.018 0.074 . 1 . . 483 . A 152 TYR CA . 31035 1 1255 . 1 . 1 152 152 TYR CB C 13 41.400 0.042 . 1 . . 960 . A 152 TYR CB . 31035 1 1256 . 1 . 1 152 152 TYR N N 15 120.759 0.026 . 1 . . 27 . A 152 TYR N . 31035 1 1257 . 1 . 1 153 153 MET H H 1 9.012 0.002 . 1 . . 179 . A 153 MET H . 31035 1 1258 . 1 . 1 153 153 MET HA H 1 5.356 0.002 . 1 . . 963 . A 153 MET HA . 31035 1 1259 . 1 . 1 153 153 MET HB2 H 1 1.657 0.003 . 2 . . 1467 . A 153 MET HB2 . 31035 1 1260 . 1 . 1 153 153 MET HB3 H 1 1.911 0.004 . 2 . . 1468 . A 153 MET HB3 . 31035 1 1261 . 1 . 1 153 153 MET HG2 H 1 2.306 0.002 . 2 . . 1469 . A 153 MET HG2 . 31035 1 1262 . 1 . 1 153 153 MET HG3 H 1 2.434 0.001 . 2 . . 1470 . A 153 MET HG3 . 31035 1 1263 . 1 . 1 153 153 MET HE1 H 1 1.265 0.002 . 1 . . 1465 . A 153 MET HE1 . 31035 1 1264 . 1 . 1 153 153 MET HE2 H 1 1.265 0.002 . 1 . . 1465 . A 153 MET HE2 . 31035 1 1265 . 1 . 1 153 153 MET HE3 H 1 1.265 0.002 . 1 . . 1465 . A 153 MET HE3 . 31035 1 1266 . 1 . 1 153 153 MET CA C 13 54.767 0.009 . 1 . . 361 . A 153 MET CA . 31035 1 1267 . 1 . 1 153 153 MET CB C 13 33.745 0.007 . 1 . . 964 . A 153 MET CB . 31035 1 1268 . 1 . 1 153 153 MET CG C 13 32.126 0.0 . 1 . . 498 . A 153 MET CG . 31035 1 1269 . 1 . 1 153 153 MET CE C 13 16.328 0.009 . 1 . . 1466 . A 153 MET CE . 31035 1 1270 . 1 . 1 153 153 MET N N 15 122.048 0.009 . 1 . . 180 . A 153 MET N . 31035 1 1271 . 1 . 1 154 154 ILE H H 1 8.940 0.003 . 1 . . 18 . A 154 ILE H . 31035 1 1272 . 1 . 1 154 154 ILE HA H 1 4.705 0.005 . 1 . . 567 . A 154 ILE HA . 31035 1 1273 . 1 . 1 154 154 ILE HB H 1 1.999 0.004 . 1 . . 594 . A 154 ILE HB . 31035 1 1274 . 1 . 1 154 154 ILE HG12 H 1 1.336 0.004 . 2 . . 1085 . A 154 ILE HG12 . 31035 1 1275 . 1 . 1 154 154 ILE HG13 H 1 0.589 0.002 . 2 . . 1197 . A 154 ILE HG13 . 31035 1 1276 . 1 . 1 154 154 ILE HG21 H 1 0.377 0.001 . 1 . . 1084 . A 154 ILE HG21 . 31035 1 1277 . 1 . 1 154 154 ILE HG22 H 1 0.377 0.001 . 1 . . 1084 . A 154 ILE HG22 . 31035 1 1278 . 1 . 1 154 154 ILE HG23 H 1 0.377 0.001 . 1 . . 1084 . A 154 ILE HG23 . 31035 1 1279 . 1 . 1 154 154 ILE HD11 H 1 0.339 0.002 . 1 . . 1083 . A 154 ILE HD11 . 31035 1 1280 . 1 . 1 154 154 ILE HD12 H 1 0.339 0.002 . 1 . . 1083 . A 154 ILE HD12 . 31035 1 1281 . 1 . 1 154 154 ILE HD13 H 1 0.339 0.002 . 1 . . 1083 . A 154 ILE HD13 . 31035 1 1282 . 1 . 1 154 154 ILE CA C 13 57.507 0.07 . 1 . . 566 . A 154 ILE CA . 31035 1 1283 . 1 . 1 154 154 ILE CB C 13 38.706 0.042 . 1 . . 595 . A 154 ILE CB . 31035 1 1284 . 1 . 1 154 154 ILE CG1 C 13 26.210 0.01 . 1 . . 1081 . A 154 ILE CG1 . 31035 1 1285 . 1 . 1 154 154 ILE CG2 C 13 17.037 0.008 . 1 . . 1082 . A 154 ILE CG2 . 31035 1 1286 . 1 . 1 154 154 ILE CD1 C 13 9.986 0.011 . 1 . . 451 . A 154 ILE CD1 . 31035 1 1287 . 1 . 1 154 154 ILE N N 15 123.410 0.01 . 1 . . 19 . A 154 ILE N . 31035 1 1288 . 1 . 1 155 155 ASP H H 1 8.848 0.004 . 1 . . 203 . A 155 ASP H . 31035 1 1289 . 1 . 1 155 155 ASP HA H 1 3.524 0.002 . 1 . . 1471 . A 155 ASP HA . 31035 1 1290 . 1 . 1 155 155 ASP HB2 H 1 2.411 0.003 . 2 . . 1472 . A 155 ASP HB2 . 31035 1 1291 . 1 . 1 155 155 ASP HB3 H 1 2.883 0.003 . 2 . . 1473 . A 155 ASP HB3 . 31035 1 1292 . 1 . 1 155 155 ASP CA C 13 54.411 0.032 . 1 . . 313 . A 155 ASP CA . 31035 1 1293 . 1 . 1 155 155 ASP CB C 13 40.780 0.064 . 1 . . 325 . A 155 ASP CB . 31035 1 1294 . 1 . 1 155 155 ASP N N 15 126.426 0.006 . 1 . . 204 . A 155 ASP N . 31035 1 1295 . 1 . 1 156 156 MET H H 1 8.448 0.005 . 1 . . 145 . A 156 MET H . 31035 1 1296 . 1 . 1 156 156 MET HA H 1 4.976 0.001 . 1 . . 1474 . A 156 MET HA . 31035 1 1297 . 1 . 1 156 156 MET HB2 H 1 1.861 0.003 . 2 . . 1478 . A 156 MET HB2 . 31035 1 1298 . 1 . 1 156 156 MET HB3 H 1 2.264 0.002 . 2 . . 1479 . A 156 MET HB3 . 31035 1 1299 . 1 . 1 156 156 MET HG2 H 1 2.587 0.001 . 2 . . 1476 . A 156 MET HG2 . 31035 1 1300 . 1 . 1 156 156 MET HG3 H 1 2.671 0.0 . 2 . . 1477 . A 156 MET HG3 . 31035 1 1301 . 1 . 1 156 156 MET CA C 13 51.936 0.045 . 1 . . 318 . A 156 MET CA . 31035 1 1302 . 1 . 1 156 156 MET CB C 13 30.321 0.03 . 1 . . 317 . A 156 MET CB . 31035 1 1303 . 1 . 1 156 156 MET CG C 13 31.508 0.002 . 1 . . 1475 . A 156 MET CG . 31035 1 1304 . 1 . 1 156 156 MET N N 15 126.301 0.001 . 1 . . 146 . A 156 MET N . 31035 1 1305 . 1 . 1 157 157 LEU H H 1 8.216 0.007 . 1 . . 241 . A 157 LEU H . 31035 1 1306 . 1 . 1 157 157 LEU HA H 1 4.034 0.003 . 1 . . 575 . A 157 LEU HA . 31035 1 1307 . 1 . 1 157 157 LEU HB2 H 1 1.930 0.003 . 2 . . 508 . A 157 LEU HB2 . 31035 1 1308 . 1 . 1 157 157 LEU HB3 H 1 1.241 0.002 . 2 . . 558 . A 157 LEU HB3 . 31035 1 1309 . 1 . 1 157 157 LEU HG H 1 1.469 0.003 . 1 . . 966 . A 157 LEU HG . 31035 1 1310 . 1 . 1 157 157 LEU HD11 H 1 0.834 0.002 . 2 . . 1480 . A 157 LEU HD11 . 31035 1 1311 . 1 . 1 157 157 LEU HD12 H 1 0.834 0.002 . 2 . . 1480 . A 157 LEU HD12 . 31035 1 1312 . 1 . 1 157 157 LEU HD13 H 1 0.834 0.002 . 2 . . 1480 . A 157 LEU HD13 . 31035 1 1313 . 1 . 1 157 157 LEU HD21 H 1 0.852 0.001 . 2 . . 1481 . A 157 LEU HD21 . 31035 1 1314 . 1 . 1 157 157 LEU HD22 H 1 0.852 0.001 . 2 . . 1481 . A 157 LEU HD22 . 31035 1 1315 . 1 . 1 157 157 LEU HD23 H 1 0.852 0.001 . 2 . . 1481 . A 157 LEU HD23 . 31035 1 1316 . 1 . 1 157 157 LEU CA C 13 57.402 0.004 . 1 . . 574 . A 157 LEU CA . 31035 1 1317 . 1 . 1 157 157 LEU CB C 13 41.375 0.016 . 1 . . 559 . A 157 LEU CB . 31035 1 1318 . 1 . 1 157 157 LEU CG C 13 26.939 0.002 . 1 . . 965 . A 157 LEU CG . 31035 1 1319 . 1 . 1 157 157 LEU CD1 C 13 25.478 0.008 . 2 . . 1482 . A 157 LEU CD1 . 31035 1 1320 . 1 . 1 157 157 LEU CD2 C 13 23.819 0.001 . 2 . . 1483 . A 157 LEU CD2 . 31035 1 1321 . 1 . 1 157 157 LEU N N 15 125.433 0.002 . 1 . . 242 . A 157 LEU N . 31035 1 1322 . 1 . 1 158 158 GLY H H 1 9.491 0.007 . 1 . . 115 . A 158 GLY H . 31035 1 1323 . 1 . 1 158 158 GLY HA2 H 1 3.754 0.0 . 2 . . 444 . A 158 GLY HA2 . 31035 1 1324 . 1 . 1 158 158 GLY HA3 H 1 3.972 0.0 . 2 . . 536 . A 158 GLY HA3 . 31035 1 1325 . 1 . 1 158 158 GLY CA C 13 45.500 0.004 . 1 . . 445 . A 158 GLY CA . 31035 1 1326 . 1 . 1 158 158 GLY N N 15 116.456 0.042 . 1 . . 116 . A 158 GLY N . 31035 1 1327 . 1 . 1 159 159 HIS H H 1 8.188 0.004 . 1 . . 185 . A 159 HIS H . 31035 1 1328 . 1 . 1 159 159 HIS HA H 1 4.892 0.001 . 1 . . 506 . A 159 HIS HA . 31035 1 1329 . 1 . 1 159 159 HIS HB2 H 1 3.417 0.003 . 2 . . 967 . A 159 HIS HB2 . 31035 1 1330 . 1 . 1 159 159 HIS HB3 H 1 2.519 0.003 . 2 . . 968 . A 159 HIS HB3 . 31035 1 1331 . 1 . 1 159 159 HIS CA C 13 55.244 0.021 . 1 . . 507 . A 159 HIS CA . 31035 1 1332 . 1 . 1 159 159 HIS CB C 13 29.611 0.007 . 1 . . 322 . A 159 HIS CB . 31035 1 1333 . 1 . 1 159 159 HIS N N 15 117.299 0.024 . 1 . . 186 . A 159 HIS N . 31035 1 1334 . 1 . 1 160 160 ASP H H 1 9.325 0.008 . 1 . . 191 . A 160 ASP H . 31035 1 1335 . 1 . 1 160 160 ASP HA H 1 3.859 0.007 . 1 . . 411 . A 160 ASP HA . 31035 1 1336 . 1 . 1 160 160 ASP HB2 H 1 2.517 0.012 . 2 . . 585 . A 160 ASP HB2 . 31035 1 1337 . 1 . 1 160 160 ASP HB3 H 1 2.595 0.0 . 2 . . 1086 . A 160 ASP HB3 . 31035 1 1338 . 1 . 1 160 160 ASP CA C 13 57.179 0.004 . 1 . . 412 . A 160 ASP CA . 31035 1 1339 . 1 . 1 160 160 ASP CB C 13 40.016 0.001 . 1 . . 584 . A 160 ASP CB . 31035 1 1340 . 1 . 1 160 160 ASP N N 15 118.164 0.001 . 1 . . 192 . A 160 ASP N . 31035 1 1341 . 1 . 1 161 161 ALA H H 1 8.496 0.002 . 1 . . 141 . A 161 ALA H . 31035 1 1342 . 1 . 1 161 161 ALA HA H 1 4.242 0.0 . 1 . . 513 . A 161 ALA HA . 31035 1 1343 . 1 . 1 161 161 ALA HB1 H 1 1.407 0.001 . 1 . . 392 . A 161 ALA HB1 . 31035 1 1344 . 1 . 1 161 161 ALA HB2 H 1 1.407 0.001 . 1 . . 392 . A 161 ALA HB2 . 31035 1 1345 . 1 . 1 161 161 ALA HB3 H 1 1.407 0.001 . 1 . . 392 . A 161 ALA HB3 . 31035 1 1346 . 1 . 1 161 161 ALA CA C 13 53.580 0.002 . 1 . . 514 . A 161 ALA CA . 31035 1 1347 . 1 . 1 161 161 ALA CB C 13 18.400 0.008 . 1 . . 393 . A 161 ALA CB . 31035 1 1348 . 1 . 1 161 161 ALA N N 15 117.732 0.002 . 1 . . 142 . A 161 ALA N . 31035 1 1349 . 1 . 1 162 162 GLU H H 1 7.959 0.002 . 1 . . 70 . A 162 GLU H . 31035 1 1350 . 1 . 1 162 162 GLU HA H 1 4.112 0.0 . 1 . . 972 . A 162 GLU HA . 31035 1 1351 . 1 . 1 162 162 GLU HB2 H 1 2.099 0.001 . 2 . . 969 . A 162 GLU HB2 . 31035 1 1352 . 1 . 1 162 162 GLU HB3 H 1 2.246 0.001 . 2 . . 1484 . A 162 GLU HB3 . 31035 1 1353 . 1 . 1 162 162 GLU HG2 H 1 2.294 0.0 . 2 . . 970 . A 162 GLU HG2 . 31035 1 1354 . 1 . 1 162 162 GLU HG3 H 1 2.401 0.0 . 2 . . 971 . A 162 GLU HG3 . 31035 1 1355 . 1 . 1 162 162 GLU CA C 13 56.804 0.004 . 1 . . 973 . A 162 GLU CA . 31035 1 1356 . 1 . 1 162 162 GLU CB C 13 30.432 0.002 . 1 . . 975 . A 162 GLU CB . 31035 1 1357 . 1 . 1 162 162 GLU CG C 13 36.875 0.0 . 1 . . 974 . A 162 GLU CG . 31035 1 1358 . 1 . 1 162 162 GLU N N 15 116.092 0.011 . 1 . . 71 . A 162 GLU N . 31035 1 1359 . 1 . 1 163 163 LEU H H 1 7.071 0.004 . 1 . . 157 . A 163 LEU H . 31035 1 1360 . 1 . 1 163 163 LEU HA H 1 4.187 0.003 . 1 . . 373 . A 163 LEU HA . 31035 1 1361 . 1 . 1 163 163 LEU HB2 H 1 1.621 0.004 . 2 . . 471 . A 163 LEU HB2 . 31035 1 1362 . 1 . 1 163 163 LEU HB3 H 1 1.361 0.003 . 2 . . 519 . A 163 LEU HB3 . 31035 1 1363 . 1 . 1 163 163 LEU HG H 1 1.413 0.002 . 1 . . 599 . A 163 LEU HG . 31035 1 1364 . 1 . 1 163 163 LEU HD11 H 1 0.544 0.001 . 2 . . 1087 . A 163 LEU HD11 . 31035 1 1365 . 1 . 1 163 163 LEU HD12 H 1 0.544 0.001 . 2 . . 1087 . A 163 LEU HD12 . 31035 1 1366 . 1 . 1 163 163 LEU HD13 H 1 0.544 0.001 . 2 . . 1087 . A 163 LEU HD13 . 31035 1 1367 . 1 . 1 163 163 LEU HD21 H 1 0.532 0.003 . 2 . . 1088 . A 163 LEU HD21 . 31035 1 1368 . 1 . 1 163 163 LEU HD22 H 1 0.532 0.003 . 2 . . 1088 . A 163 LEU HD22 . 31035 1 1369 . 1 . 1 163 163 LEU HD23 H 1 0.532 0.003 . 2 . . 1088 . A 163 LEU HD23 . 31035 1 1370 . 1 . 1 163 163 LEU CA C 13 55.500 0.011 . 1 . . 374 . A 163 LEU CA . 31035 1 1371 . 1 . 1 163 163 LEU CB C 13 42.191 0.025 . 1 . . 520 . A 163 LEU CB . 31035 1 1372 . 1 . 1 163 163 LEU CG C 13 26.448 0.012 . 1 . . 598 . A 163 LEU CG . 31035 1 1373 . 1 . 1 163 163 LEU CD1 C 13 23.735 0.01 . 2 . . 1207 . A 163 LEU CD1 . 31035 1 1374 . 1 . 1 163 163 LEU CD2 C 13 25.404 0.011 . 2 . . 1206 . A 163 LEU CD2 . 31035 1 1375 . 1 . 1 163 163 LEU N N 15 117.592 0.029 . 1 . . 158 . A 163 LEU N . 31035 1 1376 . 1 . 1 164 164 VAL H H 1 8.468 0.002 . 1 . . 225 . A 164 VAL H . 31035 1 1377 . 1 . 1 164 164 VAL HA H 1 4.410 0.005 . 1 . . 976 . A 164 VAL HA . 31035 1 1378 . 1 . 1 164 164 VAL HB H 1 2.089 0.006 . 1 . . 401 . A 164 VAL HB . 31035 1 1379 . 1 . 1 164 164 VAL HG11 H 1 0.944 0.002 . 2 . . 378 . A 164 VAL HG11 . 31035 1 1380 . 1 . 1 164 164 VAL HG12 H 1 0.944 0.002 . 2 . . 378 . A 164 VAL HG12 . 31035 1 1381 . 1 . 1 164 164 VAL HG13 H 1 0.944 0.002 . 2 . . 378 . A 164 VAL HG13 . 31035 1 1382 . 1 . 1 164 164 VAL HG21 H 1 1.036 0.0 . 2 . . 1089 . A 164 VAL HG21 . 31035 1 1383 . 1 . 1 164 164 VAL HG22 H 1 1.036 0.0 . 2 . . 1089 . A 164 VAL HG22 . 31035 1 1384 . 1 . 1 164 164 VAL HG23 H 1 1.036 0.0 . 2 . . 1089 . A 164 VAL HG23 . 31035 1 1385 . 1 . 1 164 164 VAL CA C 13 61.880 0.016 . 1 . . 367 . A 164 VAL CA . 31035 1 1386 . 1 . 1 164 164 VAL CB C 13 34.334 0.06 . 1 . . 402 . A 164 VAL CB . 31035 1 1387 . 1 . 1 164 164 VAL CG1 C 13 20.856 0.017 . 2 . . 379 . A 164 VAL CG1 . 31035 1 1388 . 1 . 1 164 164 VAL CG2 C 13 21.411 0.006 . 2 . . 1205 . A 164 VAL CG2 . 31035 1 1389 . 1 . 1 164 164 VAL N N 15 125.911 0.038 . 1 . . 226 . A 164 VAL N . 31035 1 1390 . 1 . 1 165 165 ARG H H 1 9.200 0.002 . 1 . . 189 . A 165 ARG H . 31035 1 1391 . 1 . 1 165 165 ARG HA H 1 4.252 0.002 . 1 . . 977 . A 165 ARG HA . 31035 1 1392 . 1 . 1 165 165 ARG HB2 H 1 1.720 0.002 . 2 . . 979 . A 165 ARG HB2 . 31035 1 1393 . 1 . 1 165 165 ARG HB3 H 1 1.855 0.003 . 2 . . 980 . A 165 ARG HB3 . 31035 1 1394 . 1 . 1 165 165 ARG HG2 H 1 1.315 0.001 . 2 . . 978 . A 165 ARG HG2 . 31035 1 1395 . 1 . 1 165 165 ARG HG3 H 1 1.360 0.001 . 2 . . 1485 . A 165 ARG HG3 . 31035 1 1396 . 1 . 1 165 165 ARG HD2 H 1 3.029 0.008 . 2 . . 549 . A 165 ARG HD2 . 31035 1 1397 . 1 . 1 165 165 ARG HD3 H 1 2.928 0.002 . 2 . . 581 . A 165 ARG HD3 . 31035 1 1398 . 1 . 1 165 165 ARG CA C 13 57.263 0.007 . 1 . . 981 . A 165 ARG CA . 31035 1 1399 . 1 . 1 165 165 ARG CB C 13 30.211 0.047 . 1 . . 291 . A 165 ARG CB . 31035 1 1400 . 1 . 1 165 165 ARG CG C 13 27.700 0.001 . 1 . . 417 . A 165 ARG CG . 31035 1 1401 . 1 . 1 165 165 ARG CD C 13 43.615 0.002 . 1 . . 550 . A 165 ARG CD . 31035 1 1402 . 1 . 1 165 165 ARG N N 15 129.795 0.035 . 1 . . 190 . A 165 ARG N . 31035 1 1403 . 1 . 1 166 166 VAL H H 1 8.903 0.003 . 1 . . 133 . A 166 VAL H . 31035 1 1404 . 1 . 1 166 166 VAL HA H 1 4.292 0.002 . 1 . . 472 . A 166 VAL HA . 31035 1 1405 . 1 . 1 166 166 VAL HB H 1 2.149 0.005 . 1 . . 589 . A 166 VAL HB . 31035 1 1406 . 1 . 1 166 166 VAL HG11 H 1 1.001 0.009 . 2 . . 1090 . A 166 VAL HG11 . 31035 1 1407 . 1 . 1 166 166 VAL HG12 H 1 1.001 0.009 . 2 . . 1090 . A 166 VAL HG12 . 31035 1 1408 . 1 . 1 166 166 VAL HG13 H 1 1.001 0.009 . 2 . . 1090 . A 166 VAL HG13 . 31035 1 1409 . 1 . 1 166 166 VAL HG21 H 1 0.955 0.005 . 2 . . 1091 . A 166 VAL HG21 . 31035 1 1410 . 1 . 1 166 166 VAL HG22 H 1 0.955 0.005 . 2 . . 1091 . A 166 VAL HG22 . 31035 1 1411 . 1 . 1 166 166 VAL HG23 H 1 0.955 0.005 . 2 . . 1091 . A 166 VAL HG23 . 31035 1 1412 . 1 . 1 166 166 VAL CA C 13 62.400 0.002 . 1 . . 473 . A 166 VAL CA . 31035 1 1413 . 1 . 1 166 166 VAL CB C 13 32.966 0.075 . 1 . . 590 . A 166 VAL CB . 31035 1 1414 . 1 . 1 166 166 VAL CG1 C 13 21.929 0.013 . 2 . . 1204 . A 166 VAL CG1 . 31035 1 1415 . 1 . 1 166 166 VAL CG2 C 13 20.728 0.014 . 2 . . 982 . A 166 VAL CG2 . 31035 1 1416 . 1 . 1 166 166 VAL N N 15 124.401 0.033 . 1 . . 134 . A 166 VAL N . 31035 1 1417 . 1 . 1 167 167 LYS H H 1 7.818 0.002 . 1 . . 66 . A 167 LYS H . 31035 1 1418 . 1 . 1 167 167 LYS CA C 13 58.641 . . 1 . . 346 . A 167 LYS CA . 31035 1 1419 . 1 . 1 167 167 LYS CB C 13 34.858 . . 1 . . 347 . A 167 LYS CB . 31035 1 1420 . 1 . 1 167 167 LYS N N 15 128.176 0.022 . 1 . . 67 . A 167 LYS N . 31035 1 stop_ save_