data_51077 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51077 _Entry.Title ; Backbone and side-chain resonance assignments of the harmonin homology domain 2 (HHD2) of human RTEL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-07 _Entry.Accession_date 2021-09-07 _Entry.Last_release_date 2021-09-07 _Entry.Original_release_date 2021-09-07 _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 _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 Meenakshi Ghosh . . . . 51077 2 Niranjan Kumar . . . 0000-0003-0142-8925 51077 3 Parthasarathy Manikandan . . . 0000-0002-3972-4271 51077 4 Sanmoyee Basak . . . . 51077 5 Mahavir Singh . . . 0000-0003-1251-8248 51077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 51077 '15N chemical shifts' 85 51077 '1H chemical shifts' 510 51077 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 . . 2022-05-06 . original BMRB . 51077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51078 'harmonin homology domain 1 (HHD1) of human RTEL1' 51077 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51077 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35320499 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Resonance assignment and secondary structure of the tandem harmonin homology domains of human RTEL1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 159 _Citation.Page_last 164 _Citation.Year 2022 _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 Niranjan Kumar N. . . . 51077 1 2 Meenakshi Ghosh M. . . . 51077 1 3 Parthasarathy Manikandan P. . . . 51077 1 4 Sanmoyee Basak S. . . . 51077 1 5 Akula Deepa A. . . . 51077 1 6 Mahavir Singh M. . . . 51077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51077 _Assembly.ID 1 _Assembly.Name RTEL1_HHD2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 RTEL1_HHD2 1 $entity_1 . . yes native no no . . . 51077 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Protein-protein interaction' 51077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51077 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSGQHAVSAYL ADARRALGSAGCSQLLAALT AYKQDDDLDKVLAVLAALTT AKPEDFPLLHRFSMFVRPHH KQRFSQTCTDLTGRPY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51077 1 2 . GLY . 51077 1 3 . SER . 51077 1 4 . SER . 51077 1 5 . HIS . 51077 1 6 . HIS . 51077 1 7 . HIS . 51077 1 8 . HIS . 51077 1 9 . HIS . 51077 1 10 . HIS . 51077 1 11 . SER . 51077 1 12 1056 GLY . 51077 1 13 1057 GLN . 51077 1 14 1058 HIS . 51077 1 15 1059 ALA . 51077 1 16 1060 VAL . 51077 1 17 1061 SER . 51077 1 18 1062 ALA . 51077 1 19 1063 TYR . 51077 1 20 1064 LEU . 51077 1 21 1065 ALA . 51077 1 22 1066 ASP . 51077 1 23 1067 ALA . 51077 1 24 1068 ARG . 51077 1 25 1069 ARG . 51077 1 26 1070 ALA . 51077 1 27 1071 LEU . 51077 1 28 1072 GLY . 51077 1 29 1073 SER . 51077 1 30 1074 ALA . 51077 1 31 1075 GLY . 51077 1 32 1076 CYS . 51077 1 33 1077 SER . 51077 1 34 1078 GLN . 51077 1 35 1079 LEU . 51077 1 36 1080 LEU . 51077 1 37 1081 ALA . 51077 1 38 1082 ALA . 51077 1 39 1083 LEU . 51077 1 40 1084 THR . 51077 1 41 1085 ALA . 51077 1 42 1086 TYR . 51077 1 43 1087 LYS . 51077 1 44 1088 GLN . 51077 1 45 1089 ASP . 51077 1 46 1090 ASP . 51077 1 47 1091 ASP . 51077 1 48 1092 LEU . 51077 1 49 1093 ASP . 51077 1 50 1094 LYS . 51077 1 51 1095 VAL . 51077 1 52 1096 LEU . 51077 1 53 1097 ALA . 51077 1 54 1098 VAL . 51077 1 55 1099 LEU . 51077 1 56 1100 ALA . 51077 1 57 1101 ALA . 51077 1 58 1102 LEU . 51077 1 59 1103 THR . 51077 1 60 1104 THR . 51077 1 61 1105 ALA . 51077 1 62 1106 LYS . 51077 1 63 1107 PRO . 51077 1 64 1108 GLU . 51077 1 65 1109 ASP . 51077 1 66 1110 PHE . 51077 1 67 1111 PRO . 51077 1 68 1112 LEU . 51077 1 69 1113 LEU . 51077 1 70 1114 HIS . 51077 1 71 1115 ARG . 51077 1 72 1116 PHE . 51077 1 73 1117 SER . 51077 1 74 1118 MET . 51077 1 75 1119 PHE . 51077 1 76 1120 VAL . 51077 1 77 1121 ARG . 51077 1 78 1122 PRO . 51077 1 79 1123 HIS . 51077 1 80 1124 HIS . 51077 1 81 1125 LYS . 51077 1 82 1126 GLN . 51077 1 83 1127 ARG . 51077 1 84 1128 PHE . 51077 1 85 1129 SER . 51077 1 86 1130 GLN . 51077 1 87 1131 THR . 51077 1 88 1132 CYS . 51077 1 89 1133 THR . 51077 1 90 1134 ASP . 51077 1 91 1135 LEU . 51077 1 92 1136 THR . 51077 1 93 1137 GLY . 51077 1 94 1138 ARG . 51077 1 95 1139 PRO . 51077 1 96 1140 TYR . 51077 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51077 1 . GLY 2 2 51077 1 . SER 3 3 51077 1 . SER 4 4 51077 1 . HIS 5 5 51077 1 . HIS 6 6 51077 1 . HIS 7 7 51077 1 . HIS 8 8 51077 1 . HIS 9 9 51077 1 . HIS 10 10 51077 1 . SER 11 11 51077 1 . GLY 12 12 51077 1 . GLN 13 13 51077 1 . HIS 14 14 51077 1 . ALA 15 15 51077 1 . VAL 16 16 51077 1 . SER 17 17 51077 1 . ALA 18 18 51077 1 . TYR 19 19 51077 1 . LEU 20 20 51077 1 . ALA 21 21 51077 1 . ASP 22 22 51077 1 . ALA 23 23 51077 1 . ARG 24 24 51077 1 . ARG 25 25 51077 1 . ALA 26 26 51077 1 . LEU 27 27 51077 1 . GLY 28 28 51077 1 . SER 29 29 51077 1 . ALA 30 30 51077 1 . GLY 31 31 51077 1 . CYS 32 32 51077 1 . SER 33 33 51077 1 . GLN 34 34 51077 1 . LEU 35 35 51077 1 . LEU 36 36 51077 1 . ALA 37 37 51077 1 . ALA 38 38 51077 1 . LEU 39 39 51077 1 . THR 40 40 51077 1 . ALA 41 41 51077 1 . TYR 42 42 51077 1 . LYS 43 43 51077 1 . GLN 44 44 51077 1 . ASP 45 45 51077 1 . ASP 46 46 51077 1 . ASP 47 47 51077 1 . LEU 48 48 51077 1 . ASP 49 49 51077 1 . LYS 50 50 51077 1 . VAL 51 51 51077 1 . LEU 52 52 51077 1 . ALA 53 53 51077 1 . VAL 54 54 51077 1 . LEU 55 55 51077 1 . ALA 56 56 51077 1 . ALA 57 57 51077 1 . LEU 58 58 51077 1 . THR 59 59 51077 1 . THR 60 60 51077 1 . ALA 61 61 51077 1 . LYS 62 62 51077 1 . PRO 63 63 51077 1 . GLU 64 64 51077 1 . ASP 65 65 51077 1 . PHE 66 66 51077 1 . PRO 67 67 51077 1 . LEU 68 68 51077 1 . LEU 69 69 51077 1 . HIS 70 70 51077 1 . ARG 71 71 51077 1 . PHE 72 72 51077 1 . SER 73 73 51077 1 . MET 74 74 51077 1 . PHE 75 75 51077 1 . VAL 76 76 51077 1 . ARG 77 77 51077 1 . PRO 78 78 51077 1 . HIS 79 79 51077 1 . HIS 80 80 51077 1 . LYS 81 81 51077 1 . GLN 82 82 51077 1 . ARG 83 83 51077 1 . PHE 84 84 51077 1 . SER 85 85 51077 1 . GLN 86 86 51077 1 . THR 87 87 51077 1 . CYS 88 88 51077 1 . THR 89 89 51077 1 . ASP 90 90 51077 1 . LEU 91 91 51077 1 . THR 92 92 51077 1 . GLY 93 93 51077 1 . ARG 94 94 51077 1 . PRO 95 95 51077 1 . TYR 96 96 51077 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51077 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RTEL1 . 51077 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51077 _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' . . . Escherichia coli 'BL21(DE3) Rosetta' . . plasmid . . pET28a . . . 51077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51077 _Sample.ID 1 _Sample.Name '13C 15N labelled RTEL1_HHD2' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RTEL1_HHD2 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 51077 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51077 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51077 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 51077 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51077 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 51077 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_conditions_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51077 1 pH 6.5 . pH 51077 1 pressure 1 . atm 51077 1 temperature 298 . K 51077 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51077 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51077 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51077 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51077 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51077 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51077 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 51077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent DRX 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51077 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51077 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 51077 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Chem_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.25 . . . . . 51077 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 51077 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.1 . . . . . 51077 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 51077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_chemical_shift_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51077 1 2 '2D 1H-13C HSQC aliphatic' . . . 51077 1 3 '3D CBCA(CO)NH' . . . 51077 1 4 '3D HNCACB' . . . 51077 1 5 '3D HNCO' . . . 51077 1 6 '3D HN(CA)CO' . . . 51077 1 7 '3D HBHA(CO)NH' . . . 51077 1 8 '3D H(CCO)NH' . . . 51077 1 9 '3D C(CO)NH' . . . 51077 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51077 1 2 $software_2 . . 51077 1 3 $software_3 . . 51077 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 12 12 GLY H H 1 8.601 0.00 . 1 . . . . . 1056 GLY H . 51077 1 2 . 1 . 1 12 12 GLY HA2 H 1 3.972 0.02 . 1 . . . . . 1056 GLY HA2 . 51077 1 3 . 1 . 1 12 12 GLY HA3 H 1 3.972 0.02 . 1 . . . . . 1056 GLY HA3 . 51077 1 4 . 1 . 1 12 12 GLY C C 13 174.909 0.00 . 1 . . . . . 1056 GLY C . 51077 1 5 . 1 . 1 12 12 GLY CA C 13 45.677 0.04 . 1 . . . . . 1056 GLY CA . 51077 1 6 . 1 . 1 12 12 GLY N N 15 111.199 0.03 . 1 . . . . . 1056 GLY N . 51077 1 7 . 1 . 1 13 13 GLN H H 1 8.394 0.00 . 1 . . . . . 1057 GLN H . 51077 1 8 . 1 . 1 13 13 GLN HA H 1 4.135 0.01 . 1 . . . . . 1057 GLN HA . 51077 1 9 . 1 . 1 13 13 GLN HB2 H 1 1.975 0.01 . 1 . . . . . 1057 GLN HB2 . 51077 1 10 . 1 . 1 13 13 GLN HB3 H 1 1.976 0.01 . 1 . . . . . 1057 GLN HB3 . 51077 1 11 . 1 . 1 13 13 GLN HG2 H 1 2.268 0.01 . 1 . . . . . 1057 GLN HG2 . 51077 1 12 . 1 . 1 13 13 GLN HG3 H 1 2.271 0.01 . 1 . . . . . 1057 GLN HG3 . 51077 1 13 . 1 . 1 13 13 GLN HE21 H 1 7.477 0.00 . 2 . . . . . 1057 GLN HE21 . 51077 1 14 . 1 . 1 13 13 GLN HE22 H 1 6.821 0.00 . 2 . . . . . 1057 GLN HE22 . 51077 1 15 . 1 . 1 13 13 GLN C C 13 177.230 0.00 . 1 . . . . . 1057 GLN C . 51077 1 16 . 1 . 1 13 13 GLN CA C 13 57.281 0.05 . 1 . . . . . 1057 GLN CA . 51077 1 17 . 1 . 1 13 13 GLN CB C 13 28.710 0.09 . 1 . . . . . 1057 GLN CB . 51077 1 18 . 1 . 1 13 13 GLN CG C 13 33.617 0.11 . 1 . . . . . 1057 GLN CG . 51077 1 19 . 1 . 1 13 13 GLN N N 15 120.372 0.06 . 1 . . . . . 1057 GLN N . 51077 1 20 . 1 . 1 13 13 GLN NE2 N 15 111.891 0.07 . 1 . . . . . 1057 GLN NE2 . 51077 1 21 . 1 . 1 14 14 HIS HA H 1 4.401 0.01 . 1 . . . . . 1058 HIS HA . 51077 1 22 . 1 . 1 14 14 HIS HB2 H 1 3.133 0.02 . 1 . . . . . 1058 HIS HB2 . 51077 1 23 . 1 . 1 14 14 HIS HB3 H 1 3.132 0.02 . 1 . . . . . 1058 HIS HB3 . 51077 1 24 . 1 . 1 14 14 HIS C C 13 176.887 0.00 . 1 . . . . . 1058 HIS C . 51077 1 25 . 1 . 1 14 14 HIS CA C 13 58.492 0.03 . 1 . . . . . 1058 HIS CA . 51077 1 26 . 1 . 1 14 14 HIS CB C 13 30.034 0.06 . 1 . . . . . 1058 HIS CB . 51077 1 27 . 1 . 1 15 15 ALA H H 1 7.998 0.00 . 1 . . . . . 1059 ALA H . 51077 1 28 . 1 . 1 15 15 ALA HA H 1 4.126 0.00 . 1 . . . . . 1059 ALA HA . 51077 1 29 . 1 . 1 15 15 ALA HB1 H 1 1.387 0.01 . 1 . . . . . 1059 ALA HB . 51077 1 30 . 1 . 1 15 15 ALA HB2 H 1 1.387 0.01 . 1 . . . . . 1059 ALA HB . 51077 1 31 . 1 . 1 15 15 ALA HB3 H 1 1.387 0.01 . 1 . . . . . 1059 ALA HB . 51077 1 32 . 1 . 1 15 15 ALA C C 13 180.628 0.01 . 1 . . . . . 1059 ALA C . 51077 1 33 . 1 . 1 15 15 ALA CA C 13 54.794 0.01 . 1 . . . . . 1059 ALA CA . 51077 1 34 . 1 . 1 15 15 ALA CB C 13 18.459 0.04 . 1 . . . . . 1059 ALA CB . 51077 1 35 . 1 . 1 15 15 ALA N N 15 122.701 0.08 . 1 . . . . . 1059 ALA N . 51077 1 36 . 1 . 1 16 16 VAL H H 1 7.999 0.00 . 1 . . . . . 1060 VAL H . 51077 1 37 . 1 . 1 16 16 VAL HA H 1 3.693 0.00 . 1 . . . . . 1060 VAL HA . 51077 1 38 . 1 . 1 16 16 VAL HB H 1 2.164 0.01 . 1 . . . . . 1060 VAL HB . 51077 1 39 . 1 . 1 16 16 VAL HG11 H 1 1.023 0.02 . 1 . . . . . 1060 VAL HG1 . 51077 1 40 . 1 . 1 16 16 VAL HG12 H 1 1.023 0.02 . 1 . . . . . 1060 VAL HG1 . 51077 1 41 . 1 . 1 16 16 VAL HG13 H 1 1.023 0.02 . 1 . . . . . 1060 VAL HG1 . 51077 1 42 . 1 . 1 16 16 VAL HG21 H 1 1.022 0.02 . 1 . . . . . 1060 VAL HG2 . 51077 1 43 . 1 . 1 16 16 VAL HG22 H 1 1.022 0.02 . 1 . . . . . 1060 VAL HG2 . 51077 1 44 . 1 . 1 16 16 VAL HG23 H 1 1.022 0.02 . 1 . . . . . 1060 VAL HG2 . 51077 1 45 . 1 . 1 16 16 VAL C C 13 177.451 0.02 . 1 . . . . . 1060 VAL C . 51077 1 46 . 1 . 1 16 16 VAL CA C 13 66.813 0.07 . 1 . . . . . 1060 VAL CA . 51077 1 47 . 1 . 1 16 16 VAL CB C 13 31.902 0.05 . 1 . . . . . 1060 VAL CB . 51077 1 48 . 1 . 1 16 16 VAL CG1 C 13 22.750 0.02 . 2 . . . . . 1060 VAL CG1 . 51077 1 49 . 1 . 1 16 16 VAL CG2 C 13 20.956 0.04 . 2 . . . . . 1060 VAL CG2 . 51077 1 50 . 1 . 1 16 16 VAL N N 15 120.438 0.04 . 1 . . . . . 1060 VAL N . 51077 1 51 . 1 . 1 17 17 SER H H 1 8.167 0.00 . 1 . . . . . 1061 SER H . 51077 1 52 . 1 . 1 17 17 SER HA H 1 4.081 0.01 . 1 . . . . . 1061 SER HA . 51077 1 53 . 1 . 1 17 17 SER HB2 H 1 3.921 0.01 . 1 . . . . . 1061 SER HB2 . 51077 1 54 . 1 . 1 17 17 SER HB3 H 1 3.921 0.01 . 1 . . . . . 1061 SER HB3 . 51077 1 55 . 1 . 1 17 17 SER C C 13 177.481 0.02 . 1 . . . . . 1061 SER C . 51077 1 56 . 1 . 1 17 17 SER CA C 13 62.369 0.02 . 1 . . . . . 1061 SER CA . 51077 1 57 . 1 . 1 17 17 SER CB C 13 62.435 0.00 . 1 . . . . . 1061 SER CB . 51077 1 58 . 1 . 1 17 17 SER N N 15 115.083 0.10 . 1 . . . . . 1061 SER N . 51077 1 59 . 1 . 1 18 18 ALA H H 1 8.138 0.00 . 1 . . . . . 1062 ALA H . 51077 1 60 . 1 . 1 18 18 ALA HA H 1 4.147 0.00 . 1 . . . . . 1062 ALA HA . 51077 1 61 . 1 . 1 18 18 ALA HB1 H 1 1.408 0.01 . 1 . . . . . 1062 ALA HB . 51077 1 62 . 1 . 1 18 18 ALA HB2 H 1 1.408 0.01 . 1 . . . . . 1062 ALA HB . 51077 1 63 . 1 . 1 18 18 ALA HB3 H 1 1.408 0.01 . 1 . . . . . 1062 ALA HB . 51077 1 64 . 1 . 1 18 18 ALA C C 13 179.137 0.01 . 1 . . . . . 1062 ALA C . 51077 1 65 . 1 . 1 18 18 ALA CA C 13 55.005 0.03 . 1 . . . . . 1062 ALA CA . 51077 1 66 . 1 . 1 18 18 ALA CB C 13 18.163 0.04 . 1 . . . . . 1062 ALA CB . 51077 1 67 . 1 . 1 18 18 ALA N N 15 124.279 0.06 . 1 . . . . . 1062 ALA N . 51077 1 68 . 1 . 1 19 19 TYR H H 1 7.797 0.00 . 1 . . . . . 1063 TYR H . 51077 1 69 . 1 . 1 19 19 TYR HA H 1 4.099 0.01 . 1 . . . . . 1063 TYR HA . 51077 1 70 . 1 . 1 19 19 TYR HB2 H 1 3.299 0.01 . 2 . . . . . 1063 TYR HB2 . 51077 1 71 . 1 . 1 19 19 TYR HB3 H 1 3.108 0.01 . 2 . . . . . 1063 TYR HB3 . 51077 1 72 . 1 . 1 19 19 TYR C C 13 177.221 0.00 . 1 . . . . . 1063 TYR C . 51077 1 73 . 1 . 1 19 19 TYR CA C 13 62.202 0.03 . 1 . . . . . 1063 TYR CA . 51077 1 74 . 1 . 1 19 19 TYR CB C 13 38.979 0.01 . 1 . . . . . 1063 TYR CB . 51077 1 75 . 1 . 1 19 19 TYR N N 15 119.351 0.03 . 1 . . . . . 1063 TYR N . 51077 1 76 . 1 . 1 20 20 LEU H H 1 8.523 0.00 . 1 . . . . . 1064 LEU H . 51077 1 77 . 1 . 1 20 20 LEU HA H 1 3.949 0.01 . 1 . . . . . 1064 LEU HA . 51077 1 78 . 1 . 1 20 20 LEU HB2 H 1 1.923 0.01 . 2 . . . . . 1064 LEU HB2 . 51077 1 79 . 1 . 1 20 20 LEU HB3 H 1 1.436 0.01 . 2 . . . . . 1064 LEU HB3 . 51077 1 80 . 1 . 1 20 20 LEU HD11 H 1 0.919 0.00 . 2 . . . . . 1064 LEU HD1 . 51077 1 81 . 1 . 1 20 20 LEU HD12 H 1 0.919 0.00 . 2 . . . . . 1064 LEU HD1 . 51077 1 82 . 1 . 1 20 20 LEU HD13 H 1 0.919 0.00 . 2 . . . . . 1064 LEU HD1 . 51077 1 83 . 1 . 1 20 20 LEU HD21 H 1 0.857 0.00 . 2 . . . . . 1064 LEU HD2 . 51077 1 84 . 1 . 1 20 20 LEU HD22 H 1 0.857 0.00 . 2 . . . . . 1064 LEU HD2 . 51077 1 85 . 1 . 1 20 20 LEU HD23 H 1 0.857 0.00 . 2 . . . . . 1064 LEU HD2 . 51077 1 86 . 1 . 1 20 20 LEU C C 13 179.579 0.01 . 1 . . . . . 1064 LEU C . 51077 1 87 . 1 . 1 20 20 LEU CA C 13 57.724 0.02 . 1 . . . . . 1064 LEU CA . 51077 1 88 . 1 . 1 20 20 LEU CB C 13 41.080 0.04 . 1 . . . . . 1064 LEU CB . 51077 1 89 . 1 . 1 20 20 LEU CD1 C 13 25.908 0.07 . 2 . . . . . 1064 LEU CD1 . 51077 1 90 . 1 . 1 20 20 LEU CD2 C 13 22.095 0.09 . 2 . . . . . 1064 LEU CD2 . 51077 1 91 . 1 . 1 20 20 LEU N N 15 117.758 0.10 . 1 . . . . . 1064 LEU N . 51077 1 92 . 1 . 1 21 21 ALA H H 1 8.117 0.00 . 1 . . . . . 1065 ALA H . 51077 1 93 . 1 . 1 21 21 ALA HA H 1 4.120 0.01 . 1 . . . . . 1065 ALA HA . 51077 1 94 . 1 . 1 21 21 ALA HB1 H 1 1.491 0.01 . 1 . . . . . 1065 ALA HB . 51077 1 95 . 1 . 1 21 21 ALA HB2 H 1 1.491 0.01 . 1 . . . . . 1065 ALA HB . 51077 1 96 . 1 . 1 21 21 ALA HB3 H 1 1.491 0.01 . 1 . . . . . 1065 ALA HB . 51077 1 97 . 1 . 1 21 21 ALA C C 13 180.807 0.01 . 1 . . . . . 1065 ALA C . 51077 1 98 . 1 . 1 21 21 ALA CA C 13 55.270 0.02 . 1 . . . . . 1065 ALA CA . 51077 1 99 . 1 . 1 21 21 ALA CB C 13 17.870 0.01 . 1 . . . . . 1065 ALA CB . 51077 1 100 . 1 . 1 21 21 ALA N N 15 123.076 0.05 . 1 . . . . . 1065 ALA N . 51077 1 101 . 1 . 1 22 22 ASP H H 1 8.084 0.00 . 1 . . . . . 1066 ASP H . 51077 1 102 . 1 . 1 22 22 ASP HA H 1 4.374 0.01 . 1 . . . . . 1066 ASP HA . 51077 1 103 . 1 . 1 22 22 ASP HB2 H 1 2.774 0.01 . 2 . . . . . 1066 ASP HB2 . 51077 1 104 . 1 . 1 22 22 ASP HB3 H 1 2.569 0.01 . 2 . . . . . 1066 ASP HB3 . 51077 1 105 . 1 . 1 22 22 ASP C C 13 179.193 0.01 . 1 . . . . . 1066 ASP C . 51077 1 106 . 1 . 1 22 22 ASP CA C 13 57.150 0.01 . 1 . . . . . 1066 ASP CA . 51077 1 107 . 1 . 1 22 22 ASP CB C 13 39.666 0.03 . 1 . . . . . 1066 ASP CB . 51077 1 108 . 1 . 1 22 22 ASP N N 15 121.487 0.02 . 1 . . . . . 1066 ASP N . 51077 1 109 . 1 . 1 23 23 ALA H H 1 8.933 0.00 . 1 . . . . . 1067 ALA H . 51077 1 110 . 1 . 1 23 23 ALA HA H 1 3.879 0.01 . 1 . . . . . 1067 ALA HA . 51077 1 111 . 1 . 1 23 23 ALA HB1 H 1 1.210 0.00 . 1 . . . . . 1067 ALA HB . 51077 1 112 . 1 . 1 23 23 ALA HB2 H 1 1.210 0.00 . 1 . . . . . 1067 ALA HB . 51077 1 113 . 1 . 1 23 23 ALA HB3 H 1 1.210 0.00 . 1 . . . . . 1067 ALA HB . 51077 1 114 . 1 . 1 23 23 ALA C C 13 178.892 0.01 . 1 . . . . . 1067 ALA C . 51077 1 115 . 1 . 1 23 23 ALA CA C 13 55.042 0.03 . 1 . . . . . 1067 ALA CA . 51077 1 116 . 1 . 1 23 23 ALA CB C 13 17.591 0.04 . 1 . . . . . 1067 ALA CB . 51077 1 117 . 1 . 1 23 23 ALA N N 15 123.753 0.02 . 1 . . . . . 1067 ALA N . 51077 1 118 . 1 . 1 24 24 ARG H H 1 8.418 0.00 . 1 . . . . . 1068 ARG H . 51077 1 119 . 1 . 1 24 24 ARG HA H 1 3.727 0.00 . 1 . . . . . 1068 ARG HA . 51077 1 120 . 1 . 1 24 24 ARG HB2 H 1 2.079 0.00 . 2 . . . . . 1068 ARG HB2 . 51077 1 121 . 1 . 1 24 24 ARG HB3 H 1 1.916 0.01 . 2 . . . . . 1068 ARG HB3 . 51077 1 122 . 1 . 1 24 24 ARG HG2 H 1 1.590 0.00 . 1 . . . . . 1068 ARG HG2 . 51077 1 123 . 1 . 1 24 24 ARG HG3 H 1 1.590 0.00 . 1 . . . . . 1068 ARG HG3 . 51077 1 124 . 1 . 1 24 24 ARG HD2 H 1 3.186 0.00 . 1 . . . . . 1068 ARG HD2 . 51077 1 125 . 1 . 1 24 24 ARG HD3 H 1 3.188 0.00 . 1 . . . . . 1068 ARG HD3 . 51077 1 126 . 1 . 1 24 24 ARG C C 13 179.167 0.01 . 1 . . . . . 1068 ARG C . 51077 1 127 . 1 . 1 24 24 ARG CA C 13 59.456 0.02 . 1 . . . . . 1068 ARG CA . 51077 1 128 . 1 . 1 24 24 ARG CB C 13 29.717 0.03 . 1 . . . . . 1068 ARG CB . 51077 1 129 . 1 . 1 24 24 ARG CG C 13 27.683 0.04 . 1 . . . . . 1068 ARG CG . 51077 1 130 . 1 . 1 24 24 ARG CD C 13 42.866 0.01 . 1 . . . . . 1068 ARG CD . 51077 1 131 . 1 . 1 24 24 ARG N N 15 119.643 0.03 . 1 . . . . . 1068 ARG N . 51077 1 132 . 1 . 1 25 25 ARG H H 1 7.680 0.00 . 1 . . . . . 1069 ARG H . 51077 1 133 . 1 . 1 25 25 ARG HA H 1 3.994 0.01 . 1 . . . . . 1069 ARG HA . 51077 1 134 . 1 . 1 25 25 ARG HB2 H 1 1.923 0.00 . 1 . . . . . 1069 ARG HB2 . 51077 1 135 . 1 . 1 25 25 ARG HB3 H 1 1.926 0.01 . 1 . . . . . 1069 ARG HB3 . 51077 1 136 . 1 . 1 25 25 ARG HG2 H 1 1.762 0.01 . 1 . . . . . 1069 ARG HG2 . 51077 1 137 . 1 . 1 25 25 ARG HG3 H 1 1.764 0.00 . 1 . . . . . 1069 ARG HG3 . 51077 1 138 . 1 . 1 25 25 ARG HD2 H 1 3.234 0.01 . 1 . . . . . 1069 ARG HD2 . 51077 1 139 . 1 . 1 25 25 ARG HD3 H 1 3.234 0.01 . 1 . . . . . 1069 ARG HD3 . 51077 1 140 . 1 . 1 25 25 ARG C C 13 177.689 0.01 . 1 . . . . . 1069 ARG C . 51077 1 141 . 1 . 1 25 25 ARG CA C 13 59.350 0.02 . 1 . . . . . 1069 ARG CA . 51077 1 142 . 1 . 1 25 25 ARG CB C 13 30.260 0.03 . 1 . . . . . 1069 ARG CB . 51077 1 143 . 1 . 1 25 25 ARG CG C 13 27.493 0.04 . 1 . . . . . 1069 ARG CG . 51077 1 144 . 1 . 1 25 25 ARG CD C 13 43.177 0.02 . 1 . . . . . 1069 ARG CD . 51077 1 145 . 1 . 1 25 25 ARG N N 15 119.327 0.02 . 1 . . . . . 1069 ARG N . 51077 1 146 . 1 . 1 26 26 ALA H H 1 7.858 0.00 . 1 . . . . . 1070 ALA H . 51077 1 147 . 1 . 1 26 26 ALA HA H 1 4.261 0.01 . 1 . . . . . 1070 ALA HA . 51077 1 148 . 1 . 1 26 26 ALA HB1 H 1 1.437 0.00 . 1 . . . . . 1070 ALA HB . 51077 1 149 . 1 . 1 26 26 ALA HB2 H 1 1.437 0.00 . 1 . . . . . 1070 ALA HB . 51077 1 150 . 1 . 1 26 26 ALA HB3 H 1 1.437 0.00 . 1 . . . . . 1070 ALA HB . 51077 1 151 . 1 . 1 26 26 ALA C C 13 179.578 0.01 . 1 . . . . . 1070 ALA C . 51077 1 152 . 1 . 1 26 26 ALA CA C 13 54.591 0.01 . 1 . . . . . 1070 ALA CA . 51077 1 153 . 1 . 1 26 26 ALA CB C 13 20.633 0.03 . 1 . . . . . 1070 ALA CB . 51077 1 154 . 1 . 1 26 26 ALA N N 15 118.674 0.05 . 1 . . . . . 1070 ALA N . 51077 1 155 . 1 . 1 27 27 LEU H H 1 8.733 0.00 . 1 . . . . . 1071 LEU H . 51077 1 156 . 1 . 1 27 27 LEU HA H 1 4.429 0.02 . 1 . . . . . 1071 LEU HA . 51077 1 157 . 1 . 1 27 27 LEU HB2 H 1 1.877 0.01 . 2 . . . . . 1071 LEU HB2 . 51077 1 158 . 1 . 1 27 27 LEU HB3 H 1 1.471 0.01 . 2 . . . . . 1071 LEU HB3 . 51077 1 159 . 1 . 1 27 27 LEU HD11 H 1 0.773 0.00 . 2 . . . . . 1071 LEU HD1 . 51077 1 160 . 1 . 1 27 27 LEU HD12 H 1 0.773 0.00 . 2 . . . . . 1071 LEU HD1 . 51077 1 161 . 1 . 1 27 27 LEU HD13 H 1 0.773 0.00 . 2 . . . . . 1071 LEU HD1 . 51077 1 162 . 1 . 1 27 27 LEU HD21 H 1 0.720 0.00 . 2 . . . . . 1071 LEU HD2 . 51077 1 163 . 1 . 1 27 27 LEU HD22 H 1 0.720 0.00 . 2 . . . . . 1071 LEU HD2 . 51077 1 164 . 1 . 1 27 27 LEU HD23 H 1 0.720 0.00 . 2 . . . . . 1071 LEU HD2 . 51077 1 165 . 1 . 1 27 27 LEU C C 13 178.952 0.00 . 1 . . . . . 1071 LEU C . 51077 1 166 . 1 . 1 27 27 LEU CA C 13 54.534 0.04 . 1 . . . . . 1071 LEU CA . 51077 1 167 . 1 . 1 27 27 LEU CB C 13 43.142 0.03 . 1 . . . . . 1071 LEU CB . 51077 1 168 . 1 . 1 27 27 LEU CD1 C 13 26.535 0.01 . 2 . . . . . 1071 LEU CD1 . 51077 1 169 . 1 . 1 27 27 LEU CD2 C 13 21.847 0.12 . 2 . . . . . 1071 LEU CD2 . 51077 1 170 . 1 . 1 27 27 LEU N N 15 113.268 0.02 . 1 . . . . . 1071 LEU N . 51077 1 171 . 1 . 1 28 28 GLY H H 1 7.428 0.00 . 1 . . . . . 1072 GLY H . 51077 1 172 . 1 . 1 28 28 GLY HA2 H 1 4.441 0.01 . 2 . . . . . 1072 GLY HA2 . 51077 1 173 . 1 . 1 28 28 GLY HA3 H 1 3.983 0.01 . 2 . . . . . 1072 GLY HA3 . 51077 1 174 . 1 . 1 28 28 GLY C C 13 173.591 0.01 . 1 . . . . . 1072 GLY C . 51077 1 175 . 1 . 1 28 28 GLY CA C 13 44.147 0.02 . 1 . . . . . 1072 GLY CA . 51077 1 176 . 1 . 1 28 28 GLY N N 15 107.325 0.06 . 1 . . . . . 1072 GLY N . 51077 1 177 . 1 . 1 29 29 SER H H 1 8.817 0.00 . 1 . . . . . 1073 SER H . 51077 1 178 . 1 . 1 29 29 SER HA H 1 3.908 0.01 . 1 . . . . . 1073 SER HA . 51077 1 179 . 1 . 1 29 29 SER C C 13 177.343 0.00 . 1 . . . . . 1073 SER C . 51077 1 180 . 1 . 1 29 29 SER CA C 13 62.497 0.03 . 1 . . . . . 1073 SER CA . 51077 1 181 . 1 . 1 29 29 SER N N 15 115.143 0.04 . 1 . . . . . 1073 SER N . 51077 1 182 . 1 . 1 30 30 ALA H H 1 8.756 0.00 . 1 . . . . . 1074 ALA H . 51077 1 183 . 1 . 1 30 30 ALA HA H 1 4.215 0.00 . 1 . . . . . 1074 ALA HA . 51077 1 184 . 1 . 1 30 30 ALA HB1 H 1 1.437 0.00 . 1 . . . . . 1074 ALA HB . 51077 1 185 . 1 . 1 30 30 ALA HB2 H 1 1.437 0.00 . 1 . . . . . 1074 ALA HB . 51077 1 186 . 1 . 1 30 30 ALA HB3 H 1 1.437 0.00 . 1 . . . . . 1074 ALA HB . 51077 1 187 . 1 . 1 30 30 ALA C C 13 180.997 0.01 . 1 . . . . . 1074 ALA C . 51077 1 188 . 1 . 1 30 30 ALA CA C 13 55.404 0.02 . 1 . . . . . 1074 ALA CA . 51077 1 189 . 1 . 1 30 30 ALA CB C 13 17.613 0.01 . 1 . . . . . 1074 ALA CB . 51077 1 190 . 1 . 1 30 30 ALA N N 15 125.434 0.03 . 1 . . . . . 1074 ALA N . 51077 1 191 . 1 . 1 31 31 GLY H H 1 8.181 0.00 . 1 . . . . . 1075 GLY H . 51077 1 192 . 1 . 1 31 31 GLY HA2 H 1 3.864 0.00 . 2 . . . . . 1075 GLY HA2 . 51077 1 193 . 1 . 1 31 31 GLY HA3 H 1 3.705 0.01 . 2 . . . . . 1075 GLY HA3 . 51077 1 194 . 1 . 1 31 31 GLY C C 13 175.136 0.02 . 1 . . . . . 1075 GLY C . 51077 1 195 . 1 . 1 31 31 GLY CA C 13 47.244 0.03 . 1 . . . . . 1075 GLY CA . 51077 1 196 . 1 . 1 31 31 GLY N N 15 107.201 0.04 . 1 . . . . . 1075 GLY N . 51077 1 197 . 1 . 1 32 32 CYS H H 1 8.308 0.00 . 1 . . . . . 1076 CYS H . 51077 1 198 . 1 . 1 32 32 CYS HA H 1 3.965 0.00 . 1 . . . . . 1076 CYS HA . 51077 1 199 . 1 . 1 32 32 CYS HB2 H 1 3.099 0.01 . 2 . . . . . 1076 CYS HB2 . 51077 1 200 . 1 . 1 32 32 CYS HB3 H 1 2.530 0.01 . 2 . . . . . 1076 CYS HB3 . 51077 1 201 . 1 . 1 32 32 CYS C C 13 176.147 0.01 . 1 . . . . . 1076 CYS C . 51077 1 202 . 1 . 1 32 32 CYS CA C 13 63.078 0.02 . 1 . . . . . 1076 CYS CA . 51077 1 203 . 1 . 1 32 32 CYS CB C 13 26.327 0.02 . 1 . . . . . 1076 CYS CB . 51077 1 204 . 1 . 1 32 32 CYS N N 15 120.217 0.03 . 1 . . . . . 1076 CYS N . 51077 1 205 . 1 . 1 33 33 SER H H 1 8.257 0.00 . 1 . . . . . 1077 SER H . 51077 1 206 . 1 . 1 33 33 SER HA H 1 4.202 0.01 . 1 . . . . . 1077 SER HA . 51077 1 207 . 1 . 1 33 33 SER HB2 H 1 4.000 0.01 . 1 . . . . . 1077 SER HB2 . 51077 1 208 . 1 . 1 33 33 SER HB3 H 1 4.002 0.00 . 1 . . . . . 1077 SER HB3 . 51077 1 209 . 1 . 1 33 33 SER C C 13 177.407 0.00 . 1 . . . . . 1077 SER C . 51077 1 210 . 1 . 1 33 33 SER CA C 13 62.424 0.04 . 1 . . . . . 1077 SER CA . 51077 1 211 . 1 . 1 33 33 SER CB C 13 62.402 0.00 . 1 . . . . . 1077 SER CB . 51077 1 212 . 1 . 1 33 33 SER N N 15 115.124 0.03 . 1 . . . . . 1077 SER N . 51077 1 213 . 1 . 1 34 34 GLN H H 1 7.930 0.00 . 1 . . . . . 1078 GLN H . 51077 1 214 . 1 . 1 34 34 GLN HA H 1 4.100 0.01 . 1 . . . . . 1078 GLN HA . 51077 1 215 . 1 . 1 34 34 GLN HB2 H 1 2.289 0.01 . 2 . . . . . 1078 GLN HB2 . 51077 1 216 . 1 . 1 34 34 GLN HB3 H 1 2.060 0.01 . 2 . . . . . 1078 GLN HB3 . 51077 1 217 . 1 . 1 34 34 GLN HG2 H 1 2.534 0.01 . 2 . . . . . 1078 GLN HG2 . 51077 1 218 . 1 . 1 34 34 GLN HG3 H 1 2.289 0.01 . 2 . . . . . 1078 GLN HG3 . 51077 1 219 . 1 . 1 34 34 GLN HE21 H 1 7.208 0.00 . 2 . . . . . 1078 GLN HE21 . 51077 1 220 . 1 . 1 34 34 GLN HE22 H 1 6.724 0.00 . 2 . . . . . 1078 GLN HE22 . 51077 1 221 . 1 . 1 34 34 GLN C C 13 178.830 0.01 . 1 . . . . . 1078 GLN C . 51077 1 222 . 1 . 1 34 34 GLN CA C 13 59.037 0.09 . 1 . . . . . 1078 GLN CA . 51077 1 223 . 1 . 1 34 34 GLN CB C 13 28.707 0.07 . 1 . . . . . 1078 GLN CB . 51077 1 224 . 1 . 1 34 34 GLN CG C 13 34.233 0.06 . 1 . . . . . 1078 GLN CG . 51077 1 225 . 1 . 1 34 34 GLN N N 15 122.583 0.02 . 1 . . . . . 1078 GLN N . 51077 1 226 . 1 . 1 34 34 GLN NE2 N 15 109.637 0.10 . 1 . . . . . 1078 GLN NE2 . 51077 1 227 . 1 . 1 35 35 LEU H H 1 8.094 0.00 . 1 . . . . . 1079 LEU H . 51077 1 228 . 1 . 1 35 35 LEU HA H 1 3.787 0.01 . 1 . . . . . 1079 LEU HA . 51077 1 229 . 1 . 1 35 35 LEU HB2 H 1 1.988 0.00 . 2 . . . . . 1079 LEU HB2 . 51077 1 230 . 1 . 1 35 35 LEU HB3 H 1 1.559 0.01 . 2 . . . . . 1079 LEU HB3 . 51077 1 231 . 1 . 1 35 35 LEU HG H 1 1.568 0.02 . 1 . . . . . 1079 LEU HG . 51077 1 232 . 1 . 1 35 35 LEU HD11 H 1 0.919 0.00 . 2 . . . . . 1079 LEU HD1 . 51077 1 233 . 1 . 1 35 35 LEU HD12 H 1 0.919 0.00 . 2 . . . . . 1079 LEU HD1 . 51077 1 234 . 1 . 1 35 35 LEU HD13 H 1 0.919 0.00 . 2 . . . . . 1079 LEU HD1 . 51077 1 235 . 1 . 1 35 35 LEU HD21 H 1 0.841 0.00 . 2 . . . . . 1079 LEU HD2 . 51077 1 236 . 1 . 1 35 35 LEU HD22 H 1 0.841 0.00 . 2 . . . . . 1079 LEU HD2 . 51077 1 237 . 1 . 1 35 35 LEU HD23 H 1 0.841 0.00 . 2 . . . . . 1079 LEU HD2 . 51077 1 238 . 1 . 1 35 35 LEU C C 13 178.346 0.00 . 1 . . . . . 1079 LEU C . 51077 1 239 . 1 . 1 35 35 LEU CA C 13 59.136 0.03 . 1 . . . . . 1079 LEU CA . 51077 1 240 . 1 . 1 35 35 LEU CB C 13 42.198 0.03 . 1 . . . . . 1079 LEU CB . 51077 1 241 . 1 . 1 35 35 LEU CG C 13 27.876 0.10 . 1 . . . . . 1079 LEU CG . 51077 1 242 . 1 . 1 35 35 LEU CD1 C 13 24.822 0.03 . 2 . . . . . 1079 LEU CD1 . 51077 1 243 . 1 . 1 35 35 LEU CD2 C 13 24.029 0.03 . 2 . . . . . 1079 LEU CD2 . 51077 1 244 . 1 . 1 35 35 LEU N N 15 123.659 0.04 . 1 . . . . . 1079 LEU N . 51077 1 245 . 1 . 1 36 36 LEU H H 1 8.720 0.00 . 1 . . . . . 1080 LEU H . 51077 1 246 . 1 . 1 36 36 LEU HA H 1 3.990 0.00 . 1 . . . . . 1080 LEU HA . 51077 1 247 . 1 . 1 36 36 LEU HB2 H 1 1.723 0.01 . 1 . . . . . 1080 LEU HB2 . 51077 1 248 . 1 . 1 36 36 LEU HB3 H 1 1.723 0.01 . 1 . . . . . 1080 LEU HB3 . 51077 1 249 . 1 . 1 36 36 LEU HG H 1 1.719 0.01 . 1 . . . . . 1080 LEU HG . 51077 1 250 . 1 . 1 36 36 LEU HD11 H 1 0.885 0.01 . 2 . . . . . 1080 LEU HD1 . 51077 1 251 . 1 . 1 36 36 LEU HD12 H 1 0.885 0.01 . 2 . . . . . 1080 LEU HD1 . 51077 1 252 . 1 . 1 36 36 LEU HD13 H 1 0.885 0.01 . 2 . . . . . 1080 LEU HD1 . 51077 1 253 . 1 . 1 36 36 LEU HD21 H 1 0.897 0.01 . 2 . . . . . 1080 LEU HD2 . 51077 1 254 . 1 . 1 36 36 LEU HD22 H 1 0.897 0.01 . 2 . . . . . 1080 LEU HD2 . 51077 1 255 . 1 . 1 36 36 LEU HD23 H 1 0.897 0.01 . 2 . . . . . 1080 LEU HD2 . 51077 1 256 . 1 . 1 36 36 LEU C C 13 179.932 0.00 . 1 . . . . . 1080 LEU C . 51077 1 257 . 1 . 1 36 36 LEU CA C 13 58.001 0.05 . 1 . . . . . 1080 LEU CA . 51077 1 258 . 1 . 1 36 36 LEU CB C 13 41.497 0.03 . 1 . . . . . 1080 LEU CB . 51077 1 259 . 1 . 1 36 36 LEU CG C 13 27.176 0.00 . 1 . . . . . 1080 LEU CG . 51077 1 260 . 1 . 1 36 36 LEU CD1 C 13 24.361 0.03 . 2 . . . . . 1080 LEU CD1 . 51077 1 261 . 1 . 1 36 36 LEU CD2 C 13 22.700 0.01 . 2 . . . . . 1080 LEU CD2 . 51077 1 262 . 1 . 1 36 36 LEU N N 15 119.691 0.04 . 1 . . . . . 1080 LEU N . 51077 1 263 . 1 . 1 37 37 ALA H H 1 8.249 0.00 . 1 . . . . . 1081 ALA H . 51077 1 264 . 1 . 1 37 37 ALA HA H 1 4.159 0.00 . 1 . . . . . 1081 ALA HA . 51077 1 265 . 1 . 1 37 37 ALA HB1 H 1 1.520 0.01 . 1 . . . . . 1081 ALA HB . 51077 1 266 . 1 . 1 37 37 ALA HB2 H 1 1.520 0.01 . 1 . . . . . 1081 ALA HB . 51077 1 267 . 1 . 1 37 37 ALA HB3 H 1 1.520 0.01 . 1 . . . . . 1081 ALA HB . 51077 1 268 . 1 . 1 37 37 ALA C C 13 180.511 0.01 . 1 . . . . . 1081 ALA C . 51077 1 269 . 1 . 1 37 37 ALA CA C 13 55.274 0.01 . 1 . . . . . 1081 ALA CA . 51077 1 270 . 1 . 1 37 37 ALA CB C 13 17.681 0.05 . 1 . . . . . 1081 ALA CB . 51077 1 271 . 1 . 1 37 37 ALA N N 15 123.257 0.03 . 1 . . . . . 1081 ALA N . 51077 1 272 . 1 . 1 38 38 ALA H H 1 7.976 0.00 . 1 . . . . . 1082 ALA H . 51077 1 273 . 1 . 1 38 38 ALA HA H 1 4.262 0.01 . 1 . . . . . 1082 ALA HA . 51077 1 274 . 1 . 1 38 38 ALA HB1 H 1 1.570 0.00 . 1 . . . . . 1082 ALA HB . 51077 1 275 . 1 . 1 38 38 ALA HB2 H 1 1.570 0.00 . 1 . . . . . 1082 ALA HB . 51077 1 276 . 1 . 1 38 38 ALA HB3 H 1 1.570 0.00 . 1 . . . . . 1082 ALA HB . 51077 1 277 . 1 . 1 38 38 ALA C C 13 180.654 0.01 . 1 . . . . . 1082 ALA C . 51077 1 278 . 1 . 1 38 38 ALA CA C 13 54.669 0.06 . 1 . . . . . 1082 ALA CA . 51077 1 279 . 1 . 1 38 38 ALA CB C 13 18.010 0.05 . 1 . . . . . 1082 ALA CB . 51077 1 280 . 1 . 1 38 38 ALA N N 15 122.379 0.03 . 1 . . . . . 1082 ALA N . 51077 1 281 . 1 . 1 39 39 LEU H H 1 8.810 0.00 . 1 . . . . . 1083 LEU H . 51077 1 282 . 1 . 1 39 39 LEU HA H 1 4.176 0.03 . 1 . . . . . 1083 LEU HA . 51077 1 283 . 1 . 1 39 39 LEU HB2 H 1 2.037 0.01 . 2 . . . . . 1083 LEU HB2 . 51077 1 284 . 1 . 1 39 39 LEU HB3 H 1 1.483 0.01 . 2 . . . . . 1083 LEU HB3 . 51077 1 285 . 1 . 1 39 39 LEU HG H 1 1.448 0.03 . 1 . . . . . 1083 LEU HG . 51077 1 286 . 1 . 1 39 39 LEU HD11 H 1 0.219 0.01 . 2 . . . . . 1083 LEU HD1 . 51077 1 287 . 1 . 1 39 39 LEU HD12 H 1 0.219 0.01 . 2 . . . . . 1083 LEU HD1 . 51077 1 288 . 1 . 1 39 39 LEU HD13 H 1 0.219 0.01 . 2 . . . . . 1083 LEU HD1 . 51077 1 289 . 1 . 1 39 39 LEU HD21 H 1 0.595 0.01 . 2 . . . . . 1083 LEU HD2 . 51077 1 290 . 1 . 1 39 39 LEU HD22 H 1 0.595 0.01 . 2 . . . . . 1083 LEU HD2 . 51077 1 291 . 1 . 1 39 39 LEU HD23 H 1 0.595 0.01 . 2 . . . . . 1083 LEU HD2 . 51077 1 292 . 1 . 1 39 39 LEU C C 13 177.548 0.00 . 1 . . . . . 1083 LEU C . 51077 1 293 . 1 . 1 39 39 LEU CA C 13 58.677 0.01 . 1 . . . . . 1083 LEU CA . 51077 1 294 . 1 . 1 39 39 LEU CB C 13 41.912 0.02 . 1 . . . . . 1083 LEU CB . 51077 1 295 . 1 . 1 39 39 LEU CG C 13 27.171 0.06 . 1 . . . . . 1083 LEU CG . 51077 1 296 . 1 . 1 39 39 LEU CD1 C 13 24.413 0.03 . 2 . . . . . 1083 LEU CD1 . 51077 1 297 . 1 . 1 39 39 LEU CD2 C 13 23.280 0.00 . 2 . . . . . 1083 LEU CD2 . 51077 1 298 . 1 . 1 39 39 LEU N N 15 122.828 0.03 . 1 . . . . . 1083 LEU N . 51077 1 299 . 1 . 1 40 40 THR H H 1 8.511 0.00 . 1 . . . . . 1084 THR H . 51077 1 300 . 1 . 1 40 40 THR HA H 1 3.731 0.00 . 1 . . . . . 1084 THR HA . 51077 1 301 . 1 . 1 40 40 THR HB H 1 4.297 0.00 . 1 . . . . . 1084 THR HB . 51077 1 302 . 1 . 1 40 40 THR HG21 H 1 1.210 0.00 . 1 . . . . . 1084 THR HG2 . 51077 1 303 . 1 . 1 40 40 THR HG22 H 1 1.210 0.00 . 1 . . . . . 1084 THR HG2 . 51077 1 304 . 1 . 1 40 40 THR HG23 H 1 1.210 0.00 . 1 . . . . . 1084 THR HG2 . 51077 1 305 . 1 . 1 40 40 THR C C 13 176.455 0.00 . 1 . . . . . 1084 THR C . 51077 1 306 . 1 . 1 40 40 THR CA C 13 67.198 0.04 . 1 . . . . . 1084 THR CA . 51077 1 307 . 1 . 1 40 40 THR CB C 13 68.801 0.09 . 1 . . . . . 1084 THR CB . 51077 1 308 . 1 . 1 40 40 THR CG2 C 13 21.302 0.03 . 1 . . . . . 1084 THR CG2 . 51077 1 309 . 1 . 1 40 40 THR N N 15 116.899 0.05 . 1 . . . . . 1084 THR N . 51077 1 310 . 1 . 1 41 41 ALA H H 1 7.828 0.00 . 1 . . . . . 1085 ALA H . 51077 1 311 . 1 . 1 41 41 ALA HA H 1 4.220 0.00 . 1 . . . . . 1085 ALA HA . 51077 1 312 . 1 . 1 41 41 ALA HB1 H 1 1.544 0.00 . 1 . . . . . 1085 ALA HB . 51077 1 313 . 1 . 1 41 41 ALA HB2 H 1 1.544 0.00 . 1 . . . . . 1085 ALA HB . 51077 1 314 . 1 . 1 41 41 ALA HB3 H 1 1.544 0.00 . 1 . . . . . 1085 ALA HB . 51077 1 315 . 1 . 1 41 41 ALA C C 13 178.517 0.01 . 1 . . . . . 1085 ALA C . 51077 1 316 . 1 . 1 41 41 ALA CA C 13 55.541 0.03 . 1 . . . . . 1085 ALA CA . 51077 1 317 . 1 . 1 41 41 ALA CB C 13 17.621 0.02 . 1 . . . . . 1085 ALA CB . 51077 1 318 . 1 . 1 41 41 ALA N N 15 123.204 0.02 . 1 . . . . . 1085 ALA N . 51077 1 319 . 1 . 1 42 42 TYR H H 1 8.129 0.00 . 1 . . . . . 1086 TYR H . 51077 1 320 . 1 . 1 42 42 TYR HA H 1 4.745 0.00 . 1 . . . . . 1086 TYR HA . 51077 1 321 . 1 . 1 42 42 TYR HB2 H 1 3.293 0.01 . 2 . . . . . 1086 TYR HB2 . 51077 1 322 . 1 . 1 42 42 TYR HB3 H 1 3.113 0.00 . 2 . . . . . 1086 TYR HB3 . 51077 1 323 . 1 . 1 42 42 TYR C C 13 179.181 0.01 . 1 . . . . . 1086 TYR C . 51077 1 324 . 1 . 1 42 42 TYR CA C 13 60.541 0.01 . 1 . . . . . 1086 TYR CA . 51077 1 325 . 1 . 1 42 42 TYR CB C 13 38.620 0.09 . 1 . . . . . 1086 TYR CB . 51077 1 326 . 1 . 1 42 42 TYR N N 15 120.396 0.03 . 1 . . . . . 1086 TYR N . 51077 1 327 . 1 . 1 43 43 LYS H H 1 8.313 0.00 . 1 . . . . . 1087 LYS H . 51077 1 328 . 1 . 1 43 43 LYS HA H 1 3.756 0.00 . 1 . . . . . 1087 LYS HA . 51077 1 329 . 1 . 1 43 43 LYS HB2 H 1 1.981 0.02 . 1 . . . . . 1087 LYS HB2 . 51077 1 330 . 1 . 1 43 43 LYS HB3 H 1 1.982 0.01 . 1 . . . . . 1087 LYS HB3 . 51077 1 331 . 1 . 1 43 43 LYS HG2 H 1 1.724 0.02 . 2 . . . . . 1087 LYS HG2 . 51077 1 332 . 1 . 1 43 43 LYS HG3 H 1 1.486 0.00 . 2 . . . . . 1087 LYS HG3 . 51077 1 333 . 1 . 1 43 43 LYS HD2 H 1 1.671 0.01 . 1 . . . . . 1087 LYS HD2 . 51077 1 334 . 1 . 1 43 43 LYS HD3 H 1 1.671 0.01 . 1 . . . . . 1087 LYS HD3 . 51077 1 335 . 1 . 1 43 43 LYS HE2 H 1 2.920 0.01 . 1 . . . . . 1087 LYS HE2 . 51077 1 336 . 1 . 1 43 43 LYS HE3 H 1 2.920 0.01 . 1 . . . . . 1087 LYS HE3 . 51077 1 337 . 1 . 1 43 43 LYS C C 13 177.826 0.01 . 1 . . . . . 1087 LYS C . 51077 1 338 . 1 . 1 43 43 LYS CA C 13 59.077 0.02 . 1 . . . . . 1087 LYS CA . 51077 1 339 . 1 . 1 43 43 LYS CB C 13 32.069 0.04 . 1 . . . . . 1087 LYS CB . 51077 1 340 . 1 . 1 43 43 LYS CG C 13 25.588 0.02 . 1 . . . . . 1087 LYS CG . 51077 1 341 . 1 . 1 43 43 LYS CD C 13 29.482 0.02 . 1 . . . . . 1087 LYS CD . 51077 1 342 . 1 . 1 43 43 LYS CE C 13 41.852 0.02 . 1 . . . . . 1087 LYS CE . 51077 1 343 . 1 . 1 43 43 LYS N N 15 118.887 0.04 . 1 . . . . . 1087 LYS N . 51077 1 344 . 1 . 1 44 44 GLN H H 1 7.455 0.00 . 1 . . . . . 1088 GLN H . 51077 1 345 . 1 . 1 44 44 GLN HA H 1 4.311 0.02 . 1 . . . . . 1088 GLN HA . 51077 1 346 . 1 . 1 44 44 GLN HB2 H 1 2.186 0.01 . 1 . . . . . 1088 GLN HB2 . 51077 1 347 . 1 . 1 44 44 GLN HB3 H 1 2.186 0.01 . 1 . . . . . 1088 GLN HB3 . 51077 1 348 . 1 . 1 44 44 GLN HG2 H 1 2.453 0.01 . 1 . . . . . 1088 GLN HG2 . 51077 1 349 . 1 . 1 44 44 GLN HG3 H 1 2.454 0.00 . 1 . . . . . 1088 GLN HG3 . 51077 1 350 . 1 . 1 44 44 GLN HE21 H 1 7.407 0.00 . 2 . . . . . 1088 GLN HE21 . 51077 1 351 . 1 . 1 44 44 GLN HE22 H 1 6.815 0.00 . 2 . . . . . 1088 GLN HE22 . 51077 1 352 . 1 . 1 44 44 GLN C C 13 177.283 0.01 . 1 . . . . . 1088 GLN C . 51077 1 353 . 1 . 1 44 44 GLN CA C 13 57.434 0.06 . 1 . . . . . 1088 GLN CA . 51077 1 354 . 1 . 1 44 44 GLN CB C 13 29.821 0.15 . 1 . . . . . 1088 GLN CB . 51077 1 355 . 1 . 1 44 44 GLN CG C 13 33.770 0.09 . 1 . . . . . 1088 GLN CG . 51077 1 356 . 1 . 1 44 44 GLN N N 15 115.632 0.08 . 1 . . . . . 1088 GLN N . 51077 1 357 . 1 . 1 44 44 GLN NE2 N 15 111.379 0.08 . 1 . . . . . 1088 GLN NE2 . 51077 1 358 . 1 . 1 45 45 ASP H H 1 9.236 0.00 . 1 . . . . . 1089 ASP H . 51077 1 359 . 1 . 1 45 45 ASP HA H 1 4.604 0.00 . 1 . . . . . 1089 ASP HA . 51077 1 360 . 1 . 1 45 45 ASP HB2 H 1 3.021 0.01 . 2 . . . . . 1089 ASP HB2 . 51077 1 361 . 1 . 1 45 45 ASP HB3 H 1 2.462 0.01 . 2 . . . . . 1089 ASP HB3 . 51077 1 362 . 1 . 1 45 45 ASP C C 13 177.349 0.00 . 1 . . . . . 1089 ASP C . 51077 1 363 . 1 . 1 45 45 ASP CA C 13 54.176 0.03 . 1 . . . . . 1089 ASP CA . 51077 1 364 . 1 . 1 45 45 ASP CB C 13 42.235 0.04 . 1 . . . . . 1089 ASP CB . 51077 1 365 . 1 . 1 45 45 ASP N N 15 118.124 0.02 . 1 . . . . . 1089 ASP N . 51077 1 366 . 1 . 1 46 46 ASP H H 1 9.009 0.00 . 1 . . . . . 1090 ASP H . 51077 1 367 . 1 . 1 46 46 ASP HA H 1 4.101 0.00 . 1 . . . . . 1090 ASP HA . 51077 1 368 . 1 . 1 46 46 ASP HB2 H 1 3.227 0.01 . 2 . . . . . 1090 ASP HB2 . 51077 1 369 . 1 . 1 46 46 ASP HB3 H 1 2.263 0.01 . 2 . . . . . 1090 ASP HB3 . 51077 1 370 . 1 . 1 46 46 ASP C C 13 175.457 0.01 . 1 . . . . . 1090 ASP C . 51077 1 371 . 1 . 1 46 46 ASP CA C 13 55.961 0.03 . 1 . . . . . 1090 ASP CA . 51077 1 372 . 1 . 1 46 46 ASP CB C 13 43.372 0.03 . 1 . . . . . 1090 ASP CB . 51077 1 373 . 1 . 1 46 46 ASP N N 15 122.570 0.02 . 1 . . . . . 1090 ASP N . 51077 1 374 . 1 . 1 47 47 ASP H H 1 8.755 0.00 . 1 . . . . . 1091 ASP H . 51077 1 375 . 1 . 1 47 47 ASP HA H 1 4.863 0.00 . 1 . . . . . 1091 ASP HA . 51077 1 376 . 1 . 1 47 47 ASP HB2 H 1 3.098 0.01 . 2 . . . . . 1091 ASP HB2 . 51077 1 377 . 1 . 1 47 47 ASP HB3 H 1 2.299 0.01 . 2 . . . . . 1091 ASP HB3 . 51077 1 378 . 1 . 1 47 47 ASP C C 13 177.332 0.01 . 1 . . . . . 1091 ASP C . 51077 1 379 . 1 . 1 47 47 ASP CA C 13 53.373 0.03 . 1 . . . . . 1091 ASP CA . 51077 1 380 . 1 . 1 47 47 ASP CB C 13 40.832 0.04 . 1 . . . . . 1091 ASP CB . 51077 1 381 . 1 . 1 47 47 ASP N N 15 116.664 0.04 . 1 . . . . . 1091 ASP N . 51077 1 382 . 1 . 1 48 48 LEU H H 1 8.376 0.00 . 1 . . . . . 1092 LEU H . 51077 1 383 . 1 . 1 48 48 LEU HA H 1 3.962 0.00 . 1 . . . . . 1092 LEU HA . 51077 1 384 . 1 . 1 48 48 LEU HB2 H 1 1.423 0.01 . 2 . . . . . 1092 LEU HB2 . 51077 1 385 . 1 . 1 48 48 LEU HB3 H 1 0.236 0.01 . 2 . . . . . 1092 LEU HB3 . 51077 1 386 . 1 . 1 48 48 LEU HD11 H 1 0.814 0.01 . 2 . . . . . 1092 LEU HD1 . 51077 1 387 . 1 . 1 48 48 LEU HD12 H 1 0.814 0.01 . 2 . . . . . 1092 LEU HD1 . 51077 1 388 . 1 . 1 48 48 LEU HD13 H 1 0.814 0.01 . 2 . . . . . 1092 LEU HD1 . 51077 1 389 . 1 . 1 48 48 LEU HD21 H 1 0.726 0.00 . 2 . . . . . 1092 LEU HD2 . 51077 1 390 . 1 . 1 48 48 LEU HD22 H 1 0.726 0.00 . 2 . . . . . 1092 LEU HD2 . 51077 1 391 . 1 . 1 48 48 LEU HD23 H 1 0.726 0.00 . 2 . . . . . 1092 LEU HD2 . 51077 1 392 . 1 . 1 48 48 LEU C C 13 177.637 0.00 . 1 . . . . . 1092 LEU C . 51077 1 393 . 1 . 1 48 48 LEU CA C 13 56.542 0.03 . 1 . . . . . 1092 LEU CA . 51077 1 394 . 1 . 1 48 48 LEU CB C 13 41.301 0.03 . 1 . . . . . 1092 LEU CB . 51077 1 395 . 1 . 1 48 48 LEU CD1 C 13 25.575 0.01 . 2 . . . . . 1092 LEU CD1 . 51077 1 396 . 1 . 1 48 48 LEU CD2 C 13 21.836 0.13 . 2 . . . . . 1092 LEU CD2 . 51077 1 397 . 1 . 1 48 48 LEU N N 15 129.354 0.02 . 1 . . . . . 1092 LEU N . 51077 1 398 . 1 . 1 49 49 ASP H H 1 7.974 0.00 . 1 . . . . . 1093 ASP H . 51077 1 399 . 1 . 1 49 49 ASP HA H 1 4.146 0.00 . 1 . . . . . 1093 ASP HA . 51077 1 400 . 1 . 1 49 49 ASP HB2 H 1 2.771 0.00 . 2 . . . . . 1093 ASP HB2 . 51077 1 401 . 1 . 1 49 49 ASP HB3 H 1 2.551 0.01 . 2 . . . . . 1093 ASP HB3 . 51077 1 402 . 1 . 1 49 49 ASP C C 13 179.103 0.00 . 1 . . . . . 1093 ASP C . 51077 1 403 . 1 . 1 49 49 ASP CA C 13 58.085 0.02 . 1 . . . . . 1093 ASP CA . 51077 1 404 . 1 . 1 49 49 ASP CB C 13 40.069 0.03 . 1 . . . . . 1093 ASP CB . 51077 1 405 . 1 . 1 49 49 ASP N N 15 117.520 0.03 . 1 . . . . . 1093 ASP N . 51077 1 406 . 1 . 1 50 50 LYS H H 1 7.720 0.00 . 1 . . . . . 1094 LYS H . 51077 1 407 . 1 . 1 50 50 LYS HA H 1 3.977 0.01 . 1 . . . . . 1094 LYS HA . 51077 1 408 . 1 . 1 50 50 LYS HB2 H 1 1.774 0.01 . 1 . . . . . 1094 LYS HB2 . 51077 1 409 . 1 . 1 50 50 LYS HB3 H 1 1.774 0.01 . 1 . . . . . 1094 LYS HB3 . 51077 1 410 . 1 . 1 50 50 LYS HG2 H 1 1.546 0.01 . 2 . . . . . 1094 LYS HG2 . 51077 1 411 . 1 . 1 50 50 LYS HG3 H 1 1.322 0.01 . 2 . . . . . 1094 LYS HG3 . 51077 1 412 . 1 . 1 50 50 LYS HD2 H 1 1.766 0.01 . 1 . . . . . 1094 LYS HD2 . 51077 1 413 . 1 . 1 50 50 LYS HD3 H 1 1.766 0.01 . 1 . . . . . 1094 LYS HD3 . 51077 1 414 . 1 . 1 50 50 LYS HE2 H 1 2.991 0.01 . 1 . . . . . 1094 LYS HE2 . 51077 1 415 . 1 . 1 50 50 LYS HE3 H 1 2.991 0.01 . 1 . . . . . 1094 LYS HE3 . 51077 1 416 . 1 . 1 50 50 LYS C C 13 178.844 0.00 . 1 . . . . . 1094 LYS C . 51077 1 417 . 1 . 1 50 50 LYS CA C 13 59.623 0.03 . 1 . . . . . 1094 LYS CA . 51077 1 418 . 1 . 1 50 50 LYS CB C 13 32.552 0.04 . 1 . . . . . 1094 LYS CB . 51077 1 419 . 1 . 1 50 50 LYS CG C 13 24.794 0.01 . 1 . . . . . 1094 LYS CG . 51077 1 420 . 1 . 1 50 50 LYS CD C 13 29.259 0.05 . 1 . . . . . 1094 LYS CD . 51077 1 421 . 1 . 1 50 50 LYS CE C 13 41.752 0.04 . 1 . . . . . 1094 LYS CE . 51077 1 422 . 1 . 1 50 50 LYS N N 15 119.913 0.05 . 1 . . . . . 1094 LYS N . 51077 1 423 . 1 . 1 51 51 VAL H H 1 7.100 0.00 . 1 . . . . . 1095 VAL H . 51077 1 424 . 1 . 1 51 51 VAL HA H 1 4.009 0.00 . 1 . . . . . 1095 VAL HA . 51077 1 425 . 1 . 1 51 51 VAL HB H 1 2.141 0.01 . 1 . . . . . 1095 VAL HB . 51077 1 426 . 1 . 1 51 51 VAL HG11 H 1 0.734 0.00 . 2 . . . . . 1095 VAL HG1 . 51077 1 427 . 1 . 1 51 51 VAL HG12 H 1 0.734 0.00 . 2 . . . . . 1095 VAL HG1 . 51077 1 428 . 1 . 1 51 51 VAL HG13 H 1 0.734 0.00 . 2 . . . . . 1095 VAL HG1 . 51077 1 429 . 1 . 1 51 51 VAL HG21 H 1 0.681 0.00 . 2 . . . . . 1095 VAL HG2 . 51077 1 430 . 1 . 1 51 51 VAL HG22 H 1 0.681 0.00 . 2 . . . . . 1095 VAL HG2 . 51077 1 431 . 1 . 1 51 51 VAL HG23 H 1 0.681 0.00 . 2 . . . . . 1095 VAL HG2 . 51077 1 432 . 1 . 1 51 51 VAL C C 13 176.932 0.01 . 1 . . . . . 1095 VAL C . 51077 1 433 . 1 . 1 51 51 VAL CA C 13 64.667 0.03 . 1 . . . . . 1095 VAL CA . 51077 1 434 . 1 . 1 51 51 VAL CB C 13 31.325 0.07 . 1 . . . . . 1095 VAL CB . 51077 1 435 . 1 . 1 51 51 VAL CG1 C 13 23.688 0.02 . 2 . . . . . 1095 VAL CG1 . 51077 1 436 . 1 . 1 51 51 VAL CG2 C 13 20.373 0.01 . 2 . . . . . 1095 VAL CG2 . 51077 1 437 . 1 . 1 51 51 VAL N N 15 118.573 0.03 . 1 . . . . . 1095 VAL N . 51077 1 438 . 1 . 1 52 52 LEU H H 1 8.303 0.00 . 1 . . . . . 1096 LEU H . 51077 1 439 . 1 . 1 52 52 LEU HA H 1 3.761 0.01 . 1 . . . . . 1096 LEU HA . 51077 1 440 . 1 . 1 52 52 LEU HB2 H 1 1.936 0.01 . 2 . . . . . 1096 LEU HB2 . 51077 1 441 . 1 . 1 52 52 LEU HB3 H 1 1.310 0.01 . 2 . . . . . 1096 LEU HB3 . 51077 1 442 . 1 . 1 52 52 LEU HG H 1 1.693 0.00 . 1 . . . . . 1096 LEU HG . 51077 1 443 . 1 . 1 52 52 LEU HD11 H 1 0.855 0.00 . 2 . . . . . 1096 LEU HD1 . 51077 1 444 . 1 . 1 52 52 LEU HD12 H 1 0.855 0.00 . 2 . . . . . 1096 LEU HD1 . 51077 1 445 . 1 . 1 52 52 LEU HD13 H 1 0.855 0.00 . 2 . . . . . 1096 LEU HD1 . 51077 1 446 . 1 . 1 52 52 LEU HD21 H 1 0.723 0.01 . 2 . . . . . 1096 LEU HD2 . 51077 1 447 . 1 . 1 52 52 LEU HD22 H 1 0.723 0.01 . 2 . . . . . 1096 LEU HD2 . 51077 1 448 . 1 . 1 52 52 LEU HD23 H 1 0.723 0.01 . 2 . . . . . 1096 LEU HD2 . 51077 1 449 . 1 . 1 52 52 LEU C C 13 178.493 0.00 . 1 . . . . . 1096 LEU C . 51077 1 450 . 1 . 1 52 52 LEU CA C 13 57.710 0.03 . 1 . . . . . 1096 LEU CA . 51077 1 451 . 1 . 1 52 52 LEU CB C 13 41.453 0.03 . 1 . . . . . 1096 LEU CB . 51077 1 452 . 1 . 1 52 52 LEU CG C 13 27.620 0.02 . 1 . . . . . 1096 LEU CG . 51077 1 453 . 1 . 1 52 52 LEU CD1 C 13 25.289 0.05 . 2 . . . . . 1096 LEU CD1 . 51077 1 454 . 1 . 1 52 52 LEU CD2 C 13 23.155 0.05 . 2 . . . . . 1096 LEU CD2 . 51077 1 455 . 1 . 1 52 52 LEU N N 15 122.108 0.04 . 1 . . . . . 1096 LEU N . 51077 1 456 . 1 . 1 53 53 ALA H H 1 7.602 0.00 . 1 . . . . . 1097 ALA H . 51077 1 457 . 1 . 1 53 53 ALA HA H 1 4.033 0.00 . 1 . . . . . 1097 ALA HA . 51077 1 458 . 1 . 1 53 53 ALA HB1 H 1 1.439 0.00 . 1 . . . . . 1097 ALA HB . 51077 1 459 . 1 . 1 53 53 ALA HB2 H 1 1.439 0.00 . 1 . . . . . 1097 ALA HB . 51077 1 460 . 1 . 1 53 53 ALA HB3 H 1 1.439 0.00 . 1 . . . . . 1097 ALA HB . 51077 1 461 . 1 . 1 53 53 ALA C C 13 181.068 0.01 . 1 . . . . . 1097 ALA C . 51077 1 462 . 1 . 1 53 53 ALA CA C 13 55.204 0.03 . 1 . . . . . 1097 ALA CA . 51077 1 463 . 1 . 1 53 53 ALA CB C 13 17.722 0.04 . 1 . . . . . 1097 ALA CB . 51077 1 464 . 1 . 1 53 53 ALA N N 15 120.833 0.04 . 1 . . . . . 1097 ALA N . 51077 1 465 . 1 . 1 54 54 VAL H H 1 6.976 0.00 . 1 . . . . . 1098 VAL H . 51077 1 466 . 1 . 1 54 54 VAL HA H 1 3.655 0.02 . 1 . . . . . 1098 VAL HA . 51077 1 467 . 1 . 1 54 54 VAL HB H 1 1.889 0.01 . 1 . . . . . 1098 VAL HB . 51077 1 468 . 1 . 1 54 54 VAL HG11 H 1 0.794 0.00 . 1 . . . . . 1098 VAL HG1 . 51077 1 469 . 1 . 1 54 54 VAL HG12 H 1 0.794 0.00 . 1 . . . . . 1098 VAL HG1 . 51077 1 470 . 1 . 1 54 54 VAL HG13 H 1 0.794 0.00 . 1 . . . . . 1098 VAL HG1 . 51077 1 471 . 1 . 1 54 54 VAL HG21 H 1 0.795 0.00 . 1 . . . . . 1098 VAL HG2 . 51077 1 472 . 1 . 1 54 54 VAL HG22 H 1 0.795 0.00 . 1 . . . . . 1098 VAL HG2 . 51077 1 473 . 1 . 1 54 54 VAL HG23 H 1 0.795 0.00 . 1 . . . . . 1098 VAL HG2 . 51077 1 474 . 1 . 1 54 54 VAL C C 13 177.621 0.00 . 1 . . . . . 1098 VAL C . 51077 1 475 . 1 . 1 54 54 VAL CA C 13 65.779 0.02 . 1 . . . . . 1098 VAL CA . 51077 1 476 . 1 . 1 54 54 VAL CB C 13 32.136 0.05 . 1 . . . . . 1098 VAL CB . 51077 1 477 . 1 . 1 54 54 VAL CG1 C 13 20.862 0.04 . 1 . . . . . 1098 VAL CG1 . 51077 1 478 . 1 . 1 54 54 VAL CG2 C 13 20.862 0.04 . 1 . . . . . 1098 VAL CG2 . 51077 1 479 . 1 . 1 54 54 VAL N N 15 118.624 0.04 . 1 . . . . . 1098 VAL N . 51077 1 480 . 1 . 1 55 55 LEU H H 1 8.284 0.00 . 1 . . . . . 1099 LEU H . 51077 1 481 . 1 . 1 55 55 LEU HA H 1 3.671 0.00 . 1 . . . . . 1099 LEU HA . 51077 1 482 . 1 . 1 55 55 LEU HB2 H 1 1.313 0.00 . 1 . . . . . 1099 LEU HB2 . 51077 1 483 . 1 . 1 55 55 LEU HB3 H 1 1.313 0.00 . 1 . . . . . 1099 LEU HB3 . 51077 1 484 . 1 . 1 55 55 LEU HG H 1 1.094 0.00 . 1 . . . . . 1099 LEU HG . 51077 1 485 . 1 . 1 55 55 LEU HD11 H 1 0.326 0.00 . 2 . . . . . 1099 LEU HD1 . 51077 1 486 . 1 . 1 55 55 LEU HD12 H 1 0.326 0.00 . 2 . . . . . 1099 LEU HD1 . 51077 1 487 . 1 . 1 55 55 LEU HD13 H 1 0.326 0.00 . 2 . . . . . 1099 LEU HD1 . 51077 1 488 . 1 . 1 55 55 LEU HD21 H 1 0.385 0.00 . 2 . . . . . 1099 LEU HD2 . 51077 1 489 . 1 . 1 55 55 LEU HD22 H 1 0.385 0.00 . 2 . . . . . 1099 LEU HD2 . 51077 1 490 . 1 . 1 55 55 LEU HD23 H 1 0.385 0.00 . 2 . . . . . 1099 LEU HD2 . 51077 1 491 . 1 . 1 55 55 LEU C C 13 180.799 0.01 . 1 . . . . . 1099 LEU C . 51077 1 492 . 1 . 1 55 55 LEU CA C 13 57.597 0.03 . 1 . . . . . 1099 LEU CA . 51077 1 493 . 1 . 1 55 55 LEU CB C 13 42.121 0.03 . 1 . . . . . 1099 LEU CB . 51077 1 494 . 1 . 1 55 55 LEU CG C 13 26.553 0.06 . 1 . . . . . 1099 LEU CG . 51077 1 495 . 1 . 1 55 55 LEU CD1 C 13 24.169 0.01 . 2 . . . . . 1099 LEU CD1 . 51077 1 496 . 1 . 1 55 55 LEU CD2 C 13 23.827 0.02 . 2 . . . . . 1099 LEU CD2 . 51077 1 497 . 1 . 1 55 55 LEU N N 15 118.973 0.07 . 1 . . . . . 1099 LEU N . 51077 1 498 . 1 . 1 56 56 ALA H H 1 9.164 0.00 . 1 . . . . . 1100 ALA H . 51077 1 499 . 1 . 1 56 56 ALA HA H 1 3.803 0.00 . 1 . . . . . 1100 ALA HA . 51077 1 500 . 1 . 1 56 56 ALA HB1 H 1 1.300 0.01 . 1 . . . . . 1100 ALA HB . 51077 1 501 . 1 . 1 56 56 ALA HB2 H 1 1.300 0.01 . 1 . . . . . 1100 ALA HB . 51077 1 502 . 1 . 1 56 56 ALA HB3 H 1 1.300 0.01 . 1 . . . . . 1100 ALA HB . 51077 1 503 . 1 . 1 56 56 ALA C C 13 179.831 0.01 . 1 . . . . . 1100 ALA C . 51077 1 504 . 1 . 1 56 56 ALA CA C 13 55.195 0.03 . 1 . . . . . 1100 ALA CA . 51077 1 505 . 1 . 1 56 56 ALA CB C 13 18.135 0.05 . 1 . . . . . 1100 ALA CB . 51077 1 506 . 1 . 1 56 56 ALA N N 15 122.098 0.03 . 1 . . . . . 1100 ALA N . 51077 1 507 . 1 . 1 57 57 ALA H H 1 7.187 0.00 . 1 . . . . . 1101 ALA H . 51077 1 508 . 1 . 1 57 57 ALA HA H 1 4.081 0.00 . 1 . . . . . 1101 ALA HA . 51077 1 509 . 1 . 1 57 57 ALA HB1 H 1 1.509 0.01 . 1 . . . . . 1101 ALA HB . 51077 1 510 . 1 . 1 57 57 ALA HB2 H 1 1.509 0.01 . 1 . . . . . 1101 ALA HB . 51077 1 511 . 1 . 1 57 57 ALA HB3 H 1 1.509 0.01 . 1 . . . . . 1101 ALA HB . 51077 1 512 . 1 . 1 57 57 ALA C C 13 179.942 0.01 . 1 . . . . . 1101 ALA C . 51077 1 513 . 1 . 1 57 57 ALA CA C 13 54.773 0.04 . 1 . . . . . 1101 ALA CA . 51077 1 514 . 1 . 1 57 57 ALA CB C 13 18.001 0.07 . 1 . . . . . 1101 ALA CB . 51077 1 515 . 1 . 1 57 57 ALA N N 15 120.616 0.03 . 1 . . . . . 1101 ALA N . 51077 1 516 . 1 . 1 58 58 LEU H H 1 7.625 0.00 . 1 . . . . . 1102 LEU H . 51077 1 517 . 1 . 1 58 58 LEU HA H 1 4.344 0.01 . 1 . . . . . 1102 LEU HA . 51077 1 518 . 1 . 1 58 58 LEU HB2 H 1 1.857 0.00 . 2 . . . . . 1102 LEU HB2 . 51077 1 519 . 1 . 1 58 58 LEU HB3 H 1 1.442 0.00 . 2 . . . . . 1102 LEU HB3 . 51077 1 520 . 1 . 1 58 58 LEU HG H 1 1.788 0.00 . 1 . . . . . 1102 LEU HG . 51077 1 521 . 1 . 1 58 58 LEU HD11 H 1 0.751 0.00 . 2 . . . . . 1102 LEU HD1 . 51077 1 522 . 1 . 1 58 58 LEU HD12 H 1 0.751 0.00 . 2 . . . . . 1102 LEU HD1 . 51077 1 523 . 1 . 1 58 58 LEU HD13 H 1 0.751 0.00 . 2 . . . . . 1102 LEU HD1 . 51077 1 524 . 1 . 1 58 58 LEU HD21 H 1 0.957 0.00 . 2 . . . . . 1102 LEU HD2 . 51077 1 525 . 1 . 1 58 58 LEU HD22 H 1 0.957 0.00 . 2 . . . . . 1102 LEU HD2 . 51077 1 526 . 1 . 1 58 58 LEU HD23 H 1 0.957 0.00 . 2 . . . . . 1102 LEU HD2 . 51077 1 527 . 1 . 1 58 58 LEU C C 13 179.638 0.01 . 1 . . . . . 1102 LEU C . 51077 1 528 . 1 . 1 58 58 LEU CA C 13 56.765 0.01 . 1 . . . . . 1102 LEU CA . 51077 1 529 . 1 . 1 58 58 LEU CB C 13 44.770 0.03 . 1 . . . . . 1102 LEU CB . 51077 1 530 . 1 . 1 58 58 LEU CG C 13 27.056 0.01 . 1 . . . . . 1102 LEU CG . 51077 1 531 . 1 . 1 58 58 LEU CD1 C 13 26.960 0.01 . 2 . . . . . 1102 LEU CD1 . 51077 1 532 . 1 . 1 58 58 LEU CD2 C 13 22.618 0.10 . 2 . . . . . 1102 LEU CD2 . 51077 1 533 . 1 . 1 58 58 LEU N N 15 113.817 0.03 . 1 . . . . . 1102 LEU N . 51077 1 534 . 1 . 1 59 59 THR H H 1 7.883 0.00 . 1 . . . . . 1103 THR H . 51077 1 535 . 1 . 1 59 59 THR HA H 1 3.790 0.02 . 1 . . . . . 1103 THR HA . 51077 1 536 . 1 . 1 59 59 THR HB H 1 4.482 0.02 . 1 . . . . . 1103 THR HB . 51077 1 537 . 1 . 1 59 59 THR HG21 H 1 1.038 0.00 . 1 . . . . . 1103 THR HG2 . 51077 1 538 . 1 . 1 59 59 THR HG22 H 1 1.038 0.00 . 1 . . . . . 1103 THR HG2 . 51077 1 539 . 1 . 1 59 59 THR HG23 H 1 1.038 0.00 . 1 . . . . . 1103 THR HG2 . 51077 1 540 . 1 . 1 59 59 THR C C 13 173.108 0.00 . 1 . . . . . 1103 THR C . 51077 1 541 . 1 . 1 59 59 THR CA C 13 63.673 0.04 . 1 . . . . . 1103 THR CA . 51077 1 542 . 1 . 1 59 59 THR CB C 13 70.223 0.06 . 1 . . . . . 1103 THR CB . 51077 1 543 . 1 . 1 59 59 THR CG2 C 13 22.052 0.02 . 1 . . . . . 1103 THR CG2 . 51077 1 544 . 1 . 1 59 59 THR N N 15 105.004 0.05 . 1 . . . . . 1103 THR N . 51077 1 545 . 1 . 1 60 60 THR H H 1 7.038 0.00 . 1 . . . . . 1104 THR H . 51077 1 546 . 1 . 1 60 60 THR HA H 1 5.022 0.02 . 1 . . . . . 1104 THR HA . 51077 1 547 . 1 . 1 60 60 THR HB H 1 4.535 0.00 . 1 . . . . . 1104 THR HB . 51077 1 548 . 1 . 1 60 60 THR HG21 H 1 1.012 0.00 . 1 . . . . . 1104 THR HG2 . 51077 1 549 . 1 . 1 60 60 THR HG22 H 1 1.012 0.00 . 1 . . . . . 1104 THR HG2 . 51077 1 550 . 1 . 1 60 60 THR HG23 H 1 1.012 0.00 . 1 . . . . . 1104 THR HG2 . 51077 1 551 . 1 . 1 60 60 THR C C 13 174.975 0.00 . 1 . . . . . 1104 THR C . 51077 1 552 . 1 . 1 60 60 THR CA C 13 60.484 0.02 . 1 . . . . . 1104 THR CA . 51077 1 553 . 1 . 1 60 60 THR CB C 13 69.299 0.03 . 1 . . . . . 1104 THR CB . 51077 1 554 . 1 . 1 60 60 THR CG2 C 13 21.861 0.03 . 1 . . . . . 1104 THR CG2 . 51077 1 555 . 1 . 1 60 60 THR N N 15 103.016 0.08 . 1 . . . . . 1104 THR N . 51077 1 556 . 1 . 1 61 61 ALA H H 1 8.081 0.00 . 1 . . . . . 1105 ALA H . 51077 1 557 . 1 . 1 61 61 ALA HA H 1 4.252 0.00 . 1 . . . . . 1105 ALA HA . 51077 1 558 . 1 . 1 61 61 ALA HB1 H 1 1.516 0.01 . 1 . . . . . 1105 ALA HB . 51077 1 559 . 1 . 1 61 61 ALA HB2 H 1 1.516 0.01 . 1 . . . . . 1105 ALA HB . 51077 1 560 . 1 . 1 61 61 ALA HB3 H 1 1.516 0.01 . 1 . . . . . 1105 ALA HB . 51077 1 561 . 1 . 1 61 61 ALA C C 13 177.808 0.00 . 1 . . . . . 1105 ALA C . 51077 1 562 . 1 . 1 61 61 ALA CA C 13 54.135 0.06 . 1 . . . . . 1105 ALA CA . 51077 1 563 . 1 . 1 61 61 ALA CB C 13 18.606 0.05 . 1 . . . . . 1105 ALA CB . 51077 1 564 . 1 . 1 61 61 ALA N N 15 125.202 0.05 . 1 . . . . . 1105 ALA N . 51077 1 565 . 1 . 1 62 62 LYS H H 1 7.407 0.00 . 1 . . . . . 1106 LYS H . 51077 1 566 . 1 . 1 62 62 LYS HB2 H 1 1.823 0.00 . 2 . . . . . 1106 LYS HB2 . 51077 1 567 . 1 . 1 62 62 LYS HB3 H 1 1.702 0.00 . 2 . . . . . 1106 LYS HB3 . 51077 1 568 . 1 . 1 62 62 LYS C C 13 174.172 0.00 . 1 . . . . . 1106 LYS C . 51077 1 569 . 1 . 1 62 62 LYS CA C 13 52.945 0.00 . 1 . . . . . 1106 LYS CA . 51077 1 570 . 1 . 1 62 62 LYS CB C 13 33.387 0.05 . 1 . . . . . 1106 LYS CB . 51077 1 571 . 1 . 1 62 62 LYS N N 15 114.748 0.05 . 1 . . . . . 1106 LYS N . 51077 1 572 . 1 . 1 63 63 PRO HA H 1 2.193 0.02 . 1 . . . . . 1107 PRO HA . 51077 1 573 . 1 . 1 63 63 PRO HB2 H 1 1.762 0.00 . 2 . . . . . 1107 PRO HB2 . 51077 1 574 . 1 . 1 63 63 PRO HB3 H 1 1.596 0.01 . 2 . . . . . 1107 PRO HB3 . 51077 1 575 . 1 . 1 63 63 PRO HG2 H 1 1.584 0.00 . 1 . . . . . 1107 PRO HG2 . 51077 1 576 . 1 . 1 63 63 PRO HG3 H 1 1.586 0.00 . 1 . . . . . 1107 PRO HG3 . 51077 1 577 . 1 . 1 63 63 PRO HD2 H 1 3.591 0.02 . 1 . . . . . 1107 PRO HD2 . 51077 1 578 . 1 . 1 63 63 PRO HD3 H 1 3.591 0.02 . 1 . . . . . 1107 PRO HD3 . 51077 1 579 . 1 . 1 63 63 PRO C C 13 179.123 0.00 . 1 . . . . . 1107 PRO C . 51077 1 580 . 1 . 1 63 63 PRO CA C 13 63.471 0.03 . 1 . . . . . 1107 PRO CA . 51077 1 581 . 1 . 1 63 63 PRO CB C 13 31.458 0.08 . 1 . . . . . 1107 PRO CB . 51077 1 582 . 1 . 1 63 63 PRO CG C 13 27.249 0.02 . 1 . . . . . 1107 PRO CG . 51077 1 583 . 1 . 1 63 63 PRO CD C 13 50.223 0.05 . 1 . . . . . 1107 PRO CD . 51077 1 584 . 1 . 1 64 64 GLU H H 1 9.199 0.00 . 1 . . . . . 1108 GLU H . 51077 1 585 . 1 . 1 64 64 GLU HA H 1 3.968 0.00 . 1 . . . . . 1108 GLU HA . 51077 1 586 . 1 . 1 64 64 GLU HB2 H 1 1.919 0.01 . 1 . . . . . 1108 GLU HB2 . 51077 1 587 . 1 . 1 64 64 GLU HB3 H 1 1.919 0.01 . 1 . . . . . 1108 GLU HB3 . 51077 1 588 . 1 . 1 64 64 GLU HG2 H 1 2.207 0.01 . 1 . . . . . 1108 GLU HG2 . 51077 1 589 . 1 . 1 64 64 GLU HG3 H 1 2.205 0.01 . 1 . . . . . 1108 GLU HG3 . 51077 1 590 . 1 . 1 64 64 GLU C C 13 177.123 0.01 . 1 . . . . . 1108 GLU C . 51077 1 591 . 1 . 1 64 64 GLU CA C 13 58.952 0.05 . 1 . . . . . 1108 GLU CA . 51077 1 592 . 1 . 1 64 64 GLU CB C 13 28.650 0.04 . 1 . . . . . 1108 GLU CB . 51077 1 593 . 1 . 1 64 64 GLU CG C 13 36.480 0.01 . 1 . . . . . 1108 GLU CG . 51077 1 594 . 1 . 1 64 64 GLU N N 15 117.488 0.05 . 1 . . . . . 1108 GLU N . 51077 1 595 . 1 . 1 65 65 ASP H H 1 7.786 0.00 . 1 . . . . . 1109 ASP H . 51077 1 596 . 1 . 1 65 65 ASP HA H 1 4.803 0.04 . 1 . . . . . 1109 ASP HA . 51077 1 597 . 1 . 1 65 65 ASP HB2 H 1 2.964 0.01 . 2 . . . . . 1109 ASP HB2 . 51077 1 598 . 1 . 1 65 65 ASP HB3 H 1 2.702 0.01 . 2 . . . . . 1109 ASP HB3 . 51077 1 599 . 1 . 1 65 65 ASP C C 13 176.583 0.01 . 1 . . . . . 1109 ASP C . 51077 1 600 . 1 . 1 65 65 ASP CA C 13 54.721 0.04 . 1 . . . . . 1109 ASP CA . 51077 1 601 . 1 . 1 65 65 ASP CB C 13 41.047 0.04 . 1 . . . . . 1109 ASP CB . 51077 1 602 . 1 . 1 65 65 ASP N N 15 118.573 0.04 . 1 . . . . . 1109 ASP N . 51077 1 603 . 1 . 1 66 66 PHE H H 1 7.608 0.00 . 1 . . . . . 1110 PHE H . 51077 1 604 . 1 . 1 66 66 PHE C C 13 175.535 0.00 . 1 . . . . . 1110 PHE C . 51077 1 605 . 1 . 1 66 66 PHE CA C 13 58.385 0.00 . 1 . . . . . 1110 PHE CA . 51077 1 606 . 1 . 1 66 66 PHE CB C 13 35.664 0.00 . 1 . . . . . 1110 PHE CB . 51077 1 607 . 1 . 1 66 66 PHE N N 15 119.975 0.09 . 1 . . . . . 1110 PHE N . 51077 1 608 . 1 . 1 67 67 PRO HA H 1 4.623 0.01 . 1 . . . . . 1111 PRO HA . 51077 1 609 . 1 . 1 67 67 PRO HB2 H 1 2.527 0.01 . 2 . . . . . 1111 PRO HB2 . 51077 1 610 . 1 . 1 67 67 PRO HB3 H 1 1.878 0.00 . 2 . . . . . 1111 PRO HB3 . 51077 1 611 . 1 . 1 67 67 PRO HG2 H 1 1.627 0.01 . 1 . . . . . 1111 PRO HG2 . 51077 1 612 . 1 . 1 67 67 PRO HG3 H 1 1.631 0.01 . 1 . . . . . 1111 PRO HG3 . 51077 1 613 . 1 . 1 67 67 PRO HD2 H 1 3.772 0.00 . 2 . . . . . 1111 PRO HD2 . 51077 1 614 . 1 . 1 67 67 PRO HD3 H 1 3.615 0.00 . 2 . . . . . 1111 PRO HD3 . 51077 1 615 . 1 . 1 67 67 PRO C C 13 178.418 0.01 . 1 . . . . . 1111 PRO C . 51077 1 616 . 1 . 1 67 67 PRO CA C 13 66.439 0.06 . 1 . . . . . 1111 PRO CA . 51077 1 617 . 1 . 1 67 67 PRO CB C 13 31.480 0.01 . 1 . . . . . 1111 PRO CB . 51077 1 618 . 1 . 1 67 67 PRO CG C 13 28.733 0.05 . 1 . . . . . 1111 PRO CG . 51077 1 619 . 1 . 1 67 67 PRO CD C 13 51.327 0.04 . 1 . . . . . 1111 PRO CD . 51077 1 620 . 1 . 1 68 68 LEU H H 1 8.071 0.00 . 1 . . . . . 1112 LEU H . 51077 1 621 . 1 . 1 68 68 LEU HA H 1 4.333 0.01 . 1 . . . . . 1112 LEU HA . 51077 1 622 . 1 . 1 68 68 LEU HB2 H 1 2.215 0.01 . 2 . . . . . 1112 LEU HB2 . 51077 1 623 . 1 . 1 68 68 LEU HB3 H 1 1.416 0.01 . 2 . . . . . 1112 LEU HB3 . 51077 1 624 . 1 . 1 68 68 LEU HG H 1 1.428 0.00 . 1 . . . . . 1112 LEU HG . 51077 1 625 . 1 . 1 68 68 LEU HD11 H 1 0.679 0.00 . 2 . . . . . 1112 LEU HD1 . 51077 1 626 . 1 . 1 68 68 LEU HD12 H 1 0.679 0.00 . 2 . . . . . 1112 LEU HD1 . 51077 1 627 . 1 . 1 68 68 LEU HD13 H 1 0.679 0.00 . 2 . . . . . 1112 LEU HD1 . 51077 1 628 . 1 . 1 68 68 LEU HD21 H 1 0.579 0.01 . 2 . . . . . 1112 LEU HD2 . 51077 1 629 . 1 . 1 68 68 LEU HD22 H 1 0.579 0.01 . 2 . . . . . 1112 LEU HD2 . 51077 1 630 . 1 . 1 68 68 LEU HD23 H 1 0.579 0.01 . 2 . . . . . 1112 LEU HD2 . 51077 1 631 . 1 . 1 68 68 LEU C C 13 179.832 0.01 . 1 . . . . . 1112 LEU C . 51077 1 632 . 1 . 1 68 68 LEU CA C 13 57.220 0.04 . 1 . . . . . 1112 LEU CA . 51077 1 633 . 1 . 1 68 68 LEU CB C 13 41.686 0.04 . 1 . . . . . 1112 LEU CB . 51077 1 634 . 1 . 1 68 68 LEU CG C 13 26.630 0.02 . 1 . . . . . 1112 LEU CG . 51077 1 635 . 1 . 1 68 68 LEU CD1 C 13 26.300 0.02 . 2 . . . . . 1112 LEU CD1 . 51077 1 636 . 1 . 1 68 68 LEU CD2 C 13 22.483 0.12 . 2 . . . . . 1112 LEU CD2 . 51077 1 637 . 1 . 1 68 68 LEU N N 15 114.280 0.05 . 1 . . . . . 1112 LEU N . 51077 1 638 . 1 . 1 69 69 LEU H H 1 7.876 0.00 . 1 . . . . . 1113 LEU H . 51077 1 639 . 1 . 1 69 69 LEU HA H 1 4.224 0.02 . 1 . . . . . 1113 LEU HA . 51077 1 640 . 1 . 1 69 69 LEU HB2 H 1 1.946 0.01 . 2 . . . . . 1113 LEU HB2 . 51077 1 641 . 1 . 1 69 69 LEU HB3 H 1 1.882 0.00 . 2 . . . . . 1113 LEU HB3 . 51077 1 642 . 1 . 1 69 69 LEU HG H 1 1.895 0.00 . 1 . . . . . 1113 LEU HG . 51077 1 643 . 1 . 1 69 69 LEU HD11 H 1 0.409 0.00 . 2 . . . . . 1113 LEU HD1 . 51077 1 644 . 1 . 1 69 69 LEU HD12 H 1 0.409 0.00 . 2 . . . . . 1113 LEU HD1 . 51077 1 645 . 1 . 1 69 69 LEU HD13 H 1 0.409 0.00 . 2 . . . . . 1113 LEU HD1 . 51077 1 646 . 1 . 1 69 69 LEU HD21 H 1 0.569 0.00 . 2 . . . . . 1113 LEU HD2 . 51077 1 647 . 1 . 1 69 69 LEU HD22 H 1 0.569 0.00 . 2 . . . . . 1113 LEU HD2 . 51077 1 648 . 1 . 1 69 69 LEU HD23 H 1 0.569 0.00 . 2 . . . . . 1113 LEU HD2 . 51077 1 649 . 1 . 1 69 69 LEU C C 13 177.793 0.01 . 1 . . . . . 1113 LEU C . 51077 1 650 . 1 . 1 69 69 LEU CA C 13 58.121 0.04 . 1 . . . . . 1113 LEU CA . 51077 1 651 . 1 . 1 69 69 LEU CB C 13 39.527 0.04 . 1 . . . . . 1113 LEU CB . 51077 1 652 . 1 . 1 69 69 LEU CG C 13 26.764 0.01 . 1 . . . . . 1113 LEU CG . 51077 1 653 . 1 . 1 69 69 LEU CD1 C 13 26.968 0.00 . 2 . . . . . 1113 LEU CD1 . 51077 1 654 . 1 . 1 69 69 LEU CD2 C 13 23.235 0.00 . 2 . . . . . 1113 LEU CD2 . 51077 1 655 . 1 . 1 69 69 LEU N N 15 122.346 0.06 . 1 . . . . . 1113 LEU N . 51077 1 656 . 1 . 1 70 70 HIS H H 1 7.442 0.00 . 1 . . . . . 1114 HIS H . 51077 1 657 . 1 . 1 70 70 HIS HA H 1 4.435 0.01 . 1 . . . . . 1114 HIS HA . 51077 1 658 . 1 . 1 70 70 HIS HB2 H 1 3.286 0.02 . 2 . . . . . 1114 HIS HB2 . 51077 1 659 . 1 . 1 70 70 HIS HB3 H 1 3.133 0.01 . 2 . . . . . 1114 HIS HB3 . 51077 1 660 . 1 . 1 70 70 HIS C C 13 180.312 0.01 . 1 . . . . . 1114 HIS C . 51077 1 661 . 1 . 1 70 70 HIS CA C 13 60.306 0.02 . 1 . . . . . 1114 HIS CA . 51077 1 662 . 1 . 1 70 70 HIS CB C 13 31.731 0.04 . 1 . . . . . 1114 HIS CB . 51077 1 663 . 1 . 1 70 70 HIS N N 15 115.048 0.07 . 1 . . . . . 1114 HIS N . 51077 1 664 . 1 . 1 71 71 ARG H H 1 8.947 0.00 . 1 . . . . . 1115 ARG H . 51077 1 665 . 1 . 1 71 71 ARG HA H 1 4.206 0.00 . 1 . . . . . 1115 ARG HA . 51077 1 666 . 1 . 1 71 71 ARG HB2 H 1 2.276 0.02 . 1 . . . . . 1115 ARG HB2 . 51077 1 667 . 1 . 1 71 71 ARG HB3 H 1 2.273 0.02 . 1 . . . . . 1115 ARG HB3 . 51077 1 668 . 1 . 1 71 71 ARG HG2 H 1 1.938 0.01 . 1 . . . . . 1115 ARG HG2 . 51077 1 669 . 1 . 1 71 71 ARG HG3 H 1 1.936 0.00 . 1 . . . . . 1115 ARG HG3 . 51077 1 670 . 1 . 1 71 71 ARG HD2 H 1 3.407 0.01 . 2 . . . . . 1115 ARG HD2 . 51077 1 671 . 1 . 1 71 71 ARG HD3 H 1 3.005 0.00 . 2 . . . . . 1115 ARG HD3 . 51077 1 672 . 1 . 1 71 71 ARG C C 13 176.929 0.00 . 1 . . . . . 1115 ARG C . 51077 1 673 . 1 . 1 71 71 ARG CA C 13 58.242 0.01 . 1 . . . . . 1115 ARG CA . 51077 1 674 . 1 . 1 71 71 ARG CB C 13 32.126 0.02 . 1 . . . . . 1115 ARG CB . 51077 1 675 . 1 . 1 71 71 ARG CG C 13 27.438 0.00 . 1 . . . . . 1115 ARG CG . 51077 1 676 . 1 . 1 71 71 ARG CD C 13 44.899 0.10 . 1 . . . . . 1115 ARG CD . 51077 1 677 . 1 . 1 71 71 ARG N N 15 115.688 0.06 . 1 . . . . . 1115 ARG N . 51077 1 678 . 1 . 1 72 72 PHE H H 1 7.774 0.00 . 1 . . . . . 1116 PHE H . 51077 1 679 . 1 . 1 72 72 PHE HA H 1 3.772 0.00 . 1 . . . . . 1116 PHE HA . 51077 1 680 . 1 . 1 72 72 PHE HB2 H 1 3.524 0.01 . 2 . . . . . 1116 PHE HB2 . 51077 1 681 . 1 . 1 72 72 PHE HB3 H 1 3.360 0.00 . 2 . . . . . 1116 PHE HB3 . 51077 1 682 . 1 . 1 72 72 PHE C C 13 174.655 0.01 . 1 . . . . . 1116 PHE C . 51077 1 683 . 1 . 1 72 72 PHE CA C 13 59.129 0.03 . 1 . . . . . 1116 PHE CA . 51077 1 684 . 1 . 1 72 72 PHE CB C 13 39.109 0.08 . 1 . . . . . 1116 PHE CB . 51077 1 685 . 1 . 1 72 72 PHE N N 15 120.542 0.08 . 1 . . . . . 1116 PHE N . 51077 1 686 . 1 . 1 73 73 SER H H 1 7.652 0.00 . 1 . . . . . 1117 SER H . 51077 1 687 . 1 . 1 73 73 SER HA H 1 3.104 0.01 . 1 . . . . . 1117 SER HA . 51077 1 688 . 1 . 1 73 73 SER HB2 H 1 4.055 0.01 . 2 . . . . . 1117 SER HB2 . 51077 1 689 . 1 . 1 73 73 SER HB3 H 1 3.839 0.00 . 2 . . . . . 1117 SER HB3 . 51077 1 690 . 1 . 1 73 73 SER C C 13 175.517 0.01 . 1 . . . . . 1117 SER C . 51077 1 691 . 1 . 1 73 73 SER CA C 13 61.003 0.04 . 1 . . . . . 1117 SER CA . 51077 1 692 . 1 . 1 73 73 SER CB C 13 62.743 0.08 . 1 . . . . . 1117 SER CB . 51077 1 693 . 1 . 1 73 73 SER N N 15 112.083 0.02 . 1 . . . . . 1117 SER N . 51077 1 694 . 1 . 1 74 74 MET H H 1 6.692 0.00 . 1 . . . . . 1118 MET H . 51077 1 695 . 1 . 1 74 74 MET HA H 1 3.946 0.00 . 1 . . . . . 1118 MET HA . 51077 1 696 . 1 . 1 74 74 MET HB2 H 1 1.566 0.01 . 1 . . . . . 1118 MET HB2 . 51077 1 697 . 1 . 1 74 74 MET HB3 H 1 1.564 0.01 . 1 . . . . . 1118 MET HB3 . 51077 1 698 . 1 . 1 74 74 MET HG2 H 1 0.577 0.01 . 1 . . . . . 1118 MET HG2 . 51077 1 699 . 1 . 1 74 74 MET HG3 H 1 0.577 0.01 . 1 . . . . . 1118 MET HG3 . 51077 1 700 . 1 . 1 74 74 MET C C 13 175.825 0.00 . 1 . . . . . 1118 MET C . 51077 1 701 . 1 . 1 74 74 MET CA C 13 57.807 0.03 . 1 . . . . . 1118 MET CA . 51077 1 702 . 1 . 1 74 74 MET CB C 13 31.932 0.04 . 1 . . . . . 1118 MET CB . 51077 1 703 . 1 . 1 74 74 MET CG C 13 28.824 0.04 . 1 . . . . . 1118 MET CG . 51077 1 704 . 1 . 1 74 74 MET N N 15 118.306 0.04 . 1 . . . . . 1118 MET N . 51077 1 705 . 1 . 1 75 75 PHE H H 1 7.720 0.00 . 1 . . . . . 1119 PHE H . 51077 1 706 . 1 . 1 75 75 PHE HA H 1 4.330 0.01 . 1 . . . . . 1119 PHE HA . 51077 1 707 . 1 . 1 75 75 PHE HB2 H 1 2.797 0.02 . 2 . . . . . 1119 PHE HB2 . 51077 1 708 . 1 . 1 75 75 PHE HB3 H 1 1.549 0.00 . 2 . . . . . 1119 PHE HB3 . 51077 1 709 . 1 . 1 75 75 PHE C C 13 175.495 0.01 . 1 . . . . . 1119 PHE C . 51077 1 710 . 1 . 1 75 75 PHE CA C 13 57.614 0.05 . 1 . . . . . 1119 PHE CA . 51077 1 711 . 1 . 1 75 75 PHE CB C 13 40.039 0.04 . 1 . . . . . 1119 PHE CB . 51077 1 712 . 1 . 1 75 75 PHE N N 15 118.757 0.04 . 1 . . . . . 1119 PHE N . 51077 1 713 . 1 . 1 76 76 VAL H H 1 6.828 0.00 . 1 . . . . . 1120 VAL H . 51077 1 714 . 1 . 1 76 76 VAL HA H 1 3.832 0.01 . 1 . . . . . 1120 VAL HA . 51077 1 715 . 1 . 1 76 76 VAL HB H 1 1.748 0.00 . 1 . . . . . 1120 VAL HB . 51077 1 716 . 1 . 1 76 76 VAL HG11 H 1 0.774 0.00 . 2 . . . . . 1120 VAL HG1 . 51077 1 717 . 1 . 1 76 76 VAL HG12 H 1 0.774 0.00 . 2 . . . . . 1120 VAL HG1 . 51077 1 718 . 1 . 1 76 76 VAL HG13 H 1 0.774 0.00 . 2 . . . . . 1120 VAL HG1 . 51077 1 719 . 1 . 1 76 76 VAL HG21 H 1 0.175 0.01 . 2 . . . . . 1120 VAL HG2 . 51077 1 720 . 1 . 1 76 76 VAL HG22 H 1 0.175 0.01 . 2 . . . . . 1120 VAL HG2 . 51077 1 721 . 1 . 1 76 76 VAL HG23 H 1 0.175 0.01 . 2 . . . . . 1120 VAL HG2 . 51077 1 722 . 1 . 1 76 76 VAL C C 13 176.258 0.00 . 1 . . . . . 1120 VAL C . 51077 1 723 . 1 . 1 76 76 VAL CA C 13 62.721 0.05 . 1 . . . . . 1120 VAL CA . 51077 1 724 . 1 . 1 76 76 VAL CB C 13 32.294 0.02 . 1 . . . . . 1120 VAL CB . 51077 1 725 . 1 . 1 76 76 VAL CG1 C 13 22.222 0.02 . 2 . . . . . 1120 VAL CG1 . 51077 1 726 . 1 . 1 76 76 VAL CG2 C 13 21.544 0.03 . 2 . . . . . 1120 VAL CG2 . 51077 1 727 . 1 . 1 76 76 VAL N N 15 118.078 0.04 . 1 . . . . . 1120 VAL N . 51077 1 728 . 1 . 1 77 77 ARG H H 1 8.669 0.00 . 1 . . . . . 1121 ARG H . 51077 1 729 . 1 . 1 77 77 ARG C C 13 176.221 0.00 . 1 . . . . . 1121 ARG C . 51077 1 730 . 1 . 1 77 77 ARG CA C 13 55.628 0.00 . 1 . . . . . 1121 ARG CA . 51077 1 731 . 1 . 1 77 77 ARG CB C 13 29.043 0.00 . 1 . . . . . 1121 ARG CB . 51077 1 732 . 1 . 1 77 77 ARG N N 15 126.691 0.05 . 1 . . . . . 1121 ARG N . 51077 1 733 . 1 . 1 78 78 PRO HA H 1 4.394 0.04 . 1 . . . . . 1122 PRO HA . 51077 1 734 . 1 . 1 78 78 PRO HB2 H 1 2.447 0.00 . 2 . . . . . 1122 PRO HB2 . 51077 1 735 . 1 . 1 78 78 PRO HB3 H 1 2.102 0.00 . 2 . . . . . 1122 PRO HB3 . 51077 1 736 . 1 . 1 78 78 PRO HG2 H 1 1.844 0.00 . 1 . . . . . 1122 PRO HG2 . 51077 1 737 . 1 . 1 78 78 PRO HG3 H 1 1.845 0.00 . 1 . . . . . 1122 PRO HG3 . 51077 1 738 . 1 . 1 78 78 PRO HD2 H 1 3.642 0.00 . 1 . . . . . 1122 PRO HD2 . 51077 1 739 . 1 . 1 78 78 PRO HD3 H 1 3.645 0.01 . 1 . . . . . 1122 PRO HD3 . 51077 1 740 . 1 . 1 78 78 PRO C C 13 176.779 0.00 . 1 . . . . . 1122 PRO C . 51077 1 741 . 1 . 1 78 78 PRO CA C 13 63.034 0.06 . 1 . . . . . 1122 PRO CA . 51077 1 742 . 1 . 1 78 78 PRO CB C 13 32.136 0.03 . 1 . . . . . 1122 PRO CB . 51077 1 743 . 1 . 1 78 78 PRO CG C 13 26.647 0.01 . 1 . . . . . 1122 PRO CG . 51077 1 744 . 1 . 1 78 78 PRO CD C 13 50.372 0.01 . 1 . . . . . 1122 PRO CD . 51077 1 745 . 1 . 1 79 79 HIS H H 1 8.340 0.00 . 1 . . . . . 1123 HIS H . 51077 1 746 . 1 . 1 79 79 HIS HA H 1 4.643 0.00 . 1 . . . . . 1123 HIS HA . 51077 1 747 . 1 . 1 79 79 HIS HB2 H 1 3.299 0.01 . 2 . . . . . 1123 HIS HB2 . 51077 1 748 . 1 . 1 79 79 HIS HB3 H 1 2.994 0.01 . 2 . . . . . 1123 HIS HB3 . 51077 1 749 . 1 . 1 79 79 HIS C C 13 175.774 0.01 . 1 . . . . . 1123 HIS C . 51077 1 750 . 1 . 1 79 79 HIS CA C 13 57.200 0.05 . 1 . . . . . 1123 HIS CA . 51077 1 751 . 1 . 1 79 79 HIS CB C 13 29.084 0.02 . 1 . . . . . 1123 HIS CB . 51077 1 752 . 1 . 1 79 79 HIS N N 15 120.776 0.17 . 1 . . . . . 1123 HIS N . 51077 1 753 . 1 . 1 80 80 HIS H H 1 8.002 0.00 . 1 . . . . . 1124 HIS H . 51077 1 754 . 1 . 1 80 80 HIS HA H 1 4.974 0.01 . 1 . . . . . 1124 HIS HA . 51077 1 755 . 1 . 1 80 80 HIS HB2 H 1 3.389 0.01 . 2 . . . . . 1124 HIS HB2 . 51077 1 756 . 1 . 1 80 80 HIS HB3 H 1 3.080 0.01 . 2 . . . . . 1124 HIS HB3 . 51077 1 757 . 1 . 1 80 80 HIS C C 13 175.702 0.01 . 1 . . . . . 1124 HIS C . 51077 1 758 . 1 . 1 80 80 HIS CA C 13 54.505 0.03 . 1 . . . . . 1124 HIS CA . 51077 1 759 . 1 . 1 80 80 HIS CB C 13 35.674 0.05 . 1 . . . . . 1124 HIS CB . 51077 1 760 . 1 . 1 80 80 HIS N N 15 120.614 0.05 . 1 . . . . . 1124 HIS N . 51077 1 761 . 1 . 1 81 81 LYS H H 1 7.361 0.00 . 1 . . . . . 1125 LYS H . 51077 1 762 . 1 . 1 81 81 LYS HA H 1 3.813 0.02 . 1 . . . . . 1125 LYS HA . 51077 1 763 . 1 . 1 81 81 LYS HB2 H 1 1.956 0.01 . 1 . . . . . 1125 LYS HB2 . 51077 1 764 . 1 . 1 81 81 LYS HB3 H 1 1.956 0.01 . 1 . . . . . 1125 LYS HB3 . 51077 1 765 . 1 . 1 81 81 LYS HG2 H 1 1.615 0.00 . 2 . . . . . 1125 LYS HG2 . 51077 1 766 . 1 . 1 81 81 LYS HG3 H 1 1.433 0.00 . 2 . . . . . 1125 LYS HG3 . 51077 1 767 . 1 . 1 81 81 LYS C C 13 178.399 0.01 . 1 . . . . . 1125 LYS C . 51077 1 768 . 1 . 1 81 81 LYS CA C 13 60.913 0.03 . 1 . . . . . 1125 LYS CA . 51077 1 769 . 1 . 1 81 81 LYS CB C 13 32.677 0.04 . 1 . . . . . 1125 LYS CB . 51077 1 770 . 1 . 1 81 81 LYS CG C 13 25.686 0.07 . 1 . . . . . 1125 LYS CG . 51077 1 771 . 1 . 1 81 81 LYS N N 15 121.317 0.06 . 1 . . . . . 1125 LYS N . 51077 1 772 . 1 . 1 82 82 GLN H H 1 8.872 0.00 . 1 . . . . . 1126 GLN H . 51077 1 773 . 1 . 1 82 82 GLN HA H 1 4.147 0.03 . 1 . . . . . 1126 GLN HA . 51077 1 774 . 1 . 1 82 82 GLN HB2 H 1 2.152 0.01 . 1 . . . . . 1126 GLN HB2 . 51077 1 775 . 1 . 1 82 82 GLN HB3 H 1 2.153 0.01 . 1 . . . . . 1126 GLN HB3 . 51077 1 776 . 1 . 1 82 82 GLN HG2 H 1 2.387 0.01 . 1 . . . . . 1126 GLN HG2 . 51077 1 777 . 1 . 1 82 82 GLN HG3 H 1 2.387 0.01 . 1 . . . . . 1126 GLN HG3 . 51077 1 778 . 1 . 1 82 82 GLN HE21 H 1 7.545 0.00 . 2 . . . . . 1126 GLN HE21 . 51077 1 779 . 1 . 1 82 82 GLN HE22 H 1 6.903 0.00 . 2 . . . . . 1126 GLN HE22 . 51077 1 780 . 1 . 1 82 82 GLN C C 13 178.739 0.00 . 1 . . . . . 1126 GLN C . 51077 1 781 . 1 . 1 82 82 GLN CA C 13 59.749 0.04 . 1 . . . . . 1126 GLN CA . 51077 1 782 . 1 . 1 82 82 GLN CB C 13 27.663 0.09 . 1 . . . . . 1126 GLN CB . 51077 1 783 . 1 . 1 82 82 GLN CG C 13 33.833 0.08 . 1 . . . . . 1126 GLN CG . 51077 1 784 . 1 . 1 82 82 GLN N N 15 120.430 0.06 . 1 . . . . . 1126 GLN N . 51077 1 785 . 1 . 1 82 82 GLN NE2 N 15 112.000 0.08 . 1 . . . . . 1126 GLN NE2 . 51077 1 786 . 1 . 1 83 83 ARG H H 1 8.655 0.00 . 1 . . . . . 1127 ARG H . 51077 1 787 . 1 . 1 83 83 ARG HA H 1 4.116 0.00 . 1 . . . . . 1127 ARG HA . 51077 1 788 . 1 . 1 83 83 ARG HB2 H 1 1.787 0.01 . 1 . . . . . 1127 ARG HB2 . 51077 1 789 . 1 . 1 83 83 ARG HB3 H 1 1.788 0.00 . 1 . . . . . 1127 ARG HB3 . 51077 1 790 . 1 . 1 83 83 ARG HG2 H 1 1.529 0.01 . 1 . . . . . 1127 ARG HG2 . 51077 1 791 . 1 . 1 83 83 ARG HG3 H 1 1.527 0.00 . 1 . . . . . 1127 ARG HG3 . 51077 1 792 . 1 . 1 83 83 ARG HD2 H 1 3.335 0.01 . 2 . . . . . 1127 ARG HD2 . 51077 1 793 . 1 . 1 83 83 ARG HD3 H 1 3.121 0.01 . 2 . . . . . 1127 ARG HD3 . 51077 1 794 . 1 . 1 83 83 ARG C C 13 179.525 0.01 . 1 . . . . . 1127 ARG C . 51077 1 795 . 1 . 1 83 83 ARG CA C 13 59.254 0.02 . 1 . . . . . 1127 ARG CA . 51077 1 796 . 1 . 1 83 83 ARG CB C 13 30.431 0.03 . 1 . . . . . 1127 ARG CB . 51077 1 797 . 1 . 1 83 83 ARG CG C 13 27.921 0.00 . 1 . . . . . 1127 ARG CG . 51077 1 798 . 1 . 1 83 83 ARG CD C 13 44.003 0.02 . 1 . . . . . 1127 ARG CD . 51077 1 799 . 1 . 1 83 83 ARG N N 15 121.510 0.02 . 1 . . . . . 1127 ARG N . 51077 1 800 . 1 . 1 84 84 PHE H H 1 8.867 0.00 . 1 . . . . . 1128 PHE H . 51077 1 801 . 1 . 1 84 84 PHE HA H 1 3.979 0.00 . 1 . . . . . 1128 PHE HA . 51077 1 802 . 1 . 1 84 84 PHE HB2 H 1 3.295 0.00 . 2 . . . . . 1128 PHE HB2 . 51077 1 803 . 1 . 1 84 84 PHE HB3 H 1 3.137 0.01 . 2 . . . . . 1128 PHE HB3 . 51077 1 804 . 1 . 1 84 84 PHE C C 13 176.958 0.01 . 1 . . . . . 1128 PHE C . 51077 1 805 . 1 . 1 84 84 PHE CA C 13 62.958 0.04 . 1 . . . . . 1128 PHE CA . 51077 1 806 . 1 . 1 84 84 PHE CB C 13 40.167 0.03 . 1 . . . . . 1128 PHE CB . 51077 1 807 . 1 . 1 84 84 PHE N N 15 120.867 0.04 . 1 . . . . . 1128 PHE N . 51077 1 808 . 1 . 1 85 85 SER H H 1 8.730 0.00 . 1 . . . . . 1129 SER H . 51077 1 809 . 1 . 1 85 85 SER HA H 1 4.011 0.00 . 1 . . . . . 1129 SER HA . 51077 1 810 . 1 . 1 85 85 SER C C 13 176.876 0.01 . 1 . . . . . 1129 SER C . 51077 1 811 . 1 . 1 85 85 SER CA C 13 62.453 0.19 . 1 . . . . . 1129 SER CA . 51077 1 812 . 1 . 1 85 85 SER CB C 13 62.725 0.00 . 1 . . . . . 1129 SER CB . 51077 1 813 . 1 . 1 85 85 SER N N 15 116.242 0.05 . 1 . . . . . 1129 SER N . 51077 1 814 . 1 . 1 86 86 GLN H H 1 8.123 0.00 . 1 . . . . . 1130 GLN H . 51077 1 815 . 1 . 1 86 86 GLN HA H 1 3.905 0.01 . 1 . . . . . 1130 GLN HA . 51077 1 816 . 1 . 1 86 86 GLN HB2 H 1 2.211 0.00 . 2 . . . . . 1130 GLN HB2 . 51077 1 817 . 1 . 1 86 86 GLN HB3 H 1 2.127 0.01 . 2 . . . . . 1130 GLN HB3 . 51077 1 818 . 1 . 1 86 86 GLN HG2 H 1 2.375 0.01 . 2 . . . . . 1130 GLN HG2 . 51077 1 819 . 1 . 1 86 86 GLN HG3 H 1 2.284 0.00 . 2 . . . . . 1130 GLN HG3 . 51077 1 820 . 1 . 1 86 86 GLN HE21 H 1 7.715 0.00 . 2 . . . . . 1130 GLN HE21 . 51077 1 821 . 1 . 1 86 86 GLN HE22 H 1 6.831 0.00 . 2 . . . . . 1130 GLN HE22 . 51077 1 822 . 1 . 1 86 86 GLN C C 13 177.889 0.00 . 1 . . . . . 1130 GLN C . 51077 1 823 . 1 . 1 86 86 GLN CA C 13 58.809 0.03 . 1 . . . . . 1130 GLN CA . 51077 1 824 . 1 . 1 86 86 GLN CB C 13 28.237 0.11 . 1 . . . . . 1130 GLN CB . 51077 1 825 . 1 . 1 86 86 GLN CG C 13 33.686 0.06 . 1 . . . . . 1130 GLN CG . 51077 1 826 . 1 . 1 86 86 GLN N N 15 121.745 0.02 . 1 . . . . . 1130 GLN N . 51077 1 827 . 1 . 1 86 86 GLN NE2 N 15 114.067 0.15 . 1 . . . . . 1130 GLN NE2 . 51077 1 828 . 1 . 1 87 87 THR H H 1 8.118 0.00 . 1 . . . . . 1131 THR H . 51077 1 829 . 1 . 1 87 87 THR HA H 1 3.918 0.00 . 1 . . . . . 1131 THR HA . 51077 1 830 . 1 . 1 87 87 THR HB H 1 3.987 0.00 . 1 . . . . . 1131 THR HB . 51077 1 831 . 1 . 1 87 87 THR HG21 H 1 1.102 0.01 . 1 . . . . . 1131 THR HG2 . 51077 1 832 . 1 . 1 87 87 THR HG22 H 1 1.102 0.01 . 1 . . . . . 1131 THR HG2 . 51077 1 833 . 1 . 1 87 87 THR HG23 H 1 1.102 0.01 . 1 . . . . . 1131 THR HG2 . 51077 1 834 . 1 . 1 87 87 THR C C 13 176.170 0.01 . 1 . . . . . 1131 THR C . 51077 1 835 . 1 . 1 87 87 THR CA C 13 67.164 0.17 . 1 . . . . . 1131 THR CA . 51077 1 836 . 1 . 1 87 87 THR CB C 13 68.300 0.09 . 1 . . . . . 1131 THR CB . 51077 1 837 . 1 . 1 87 87 THR CG2 C 13 21.790 0.02 . 1 . . . . . 1131 THR CG2 . 51077 1 838 . 1 . 1 87 87 THR N N 15 117.426 0.06 . 1 . . . . . 1131 THR N . 51077 1 839 . 1 . 1 88 88 CYS H H 1 8.104 0.00 . 1 . . . . . 1132 CYS H . 51077 1 840 . 1 . 1 88 88 CYS HA H 1 3.615 0.00 . 1 . . . . . 1132 CYS HA . 51077 1 841 . 1 . 1 88 88 CYS HB2 H 1 2.965 0.01 . 2 . . . . . 1132 CYS HB2 . 51077 1 842 . 1 . 1 88 88 CYS HB3 H 1 2.215 0.00 . 2 . . . . . 1132 CYS HB3 . 51077 1 843 . 1 . 1 88 88 CYS C C 13 177.936 0.00 . 1 . . . . . 1132 CYS C . 51077 1 844 . 1 . 1 88 88 CYS CA C 13 64.874 0.03 . 1 . . . . . 1132 CYS CA . 51077 1 845 . 1 . 1 88 88 CYS CB C 13 26.412 0.05 . 1 . . . . . 1132 CYS CB . 51077 1 846 . 1 . 1 88 88 CYS N N 15 118.882 0.04 . 1 . . . . . 1132 CYS N . 51077 1 847 . 1 . 1 89 89 THR H H 1 8.062 0.00 . 1 . . . . . 1133 THR H . 51077 1 848 . 1 . 1 89 89 THR HA H 1 3.587 0.00 . 1 . . . . . 1133 THR HA . 51077 1 849 . 1 . 1 89 89 THR HB H 1 4.183 0.00 . 1 . . . . . 1133 THR HB . 51077 1 850 . 1 . 1 89 89 THR HG21 H 1 1.014 0.00 . 1 . . . . . 1133 THR HG2 . 51077 1 851 . 1 . 1 89 89 THR HG22 H 1 1.014 0.00 . 1 . . . . . 1133 THR HG2 . 51077 1 852 . 1 . 1 89 89 THR HG23 H 1 1.014 0.00 . 1 . . . . . 1133 THR HG2 . 51077 1 853 . 1 . 1 89 89 THR C C 13 176.468 0.00 . 1 . . . . . 1133 THR C . 51077 1 854 . 1 . 1 89 89 THR CA C 13 66.771 0.08 . 1 . . . . . 1133 THR CA . 51077 1 855 . 1 . 1 89 89 THR CB C 13 68.032 0.04 . 1 . . . . . 1133 THR CB . 51077 1 856 . 1 . 1 89 89 THR CG2 C 13 21.729 0.01 . 1 . . . . . 1133 THR CG2 . 51077 1 857 . 1 . 1 89 89 THR N N 15 120.653 0.09 . 1 . . . . . 1133 THR N . 51077 1 858 . 1 . 1 90 90 ASP H H 1 8.237 0.00 . 1 . . . . . 1134 ASP H . 51077 1 859 . 1 . 1 90 90 ASP HA H 1 4.215 0.03 . 1 . . . . . 1134 ASP HA . 51077 1 860 . 1 . 1 90 90 ASP HB2 H 1 2.791 0.00 . 2 . . . . . 1134 ASP HB2 . 51077 1 861 . 1 . 1 90 90 ASP HB3 H 1 2.596 0.01 . 2 . . . . . 1134 ASP HB3 . 51077 1 862 . 1 . 1 90 90 ASP C C 13 178.344 0.01 . 1 . . . . . 1134 ASP C . 51077 1 863 . 1 . 1 90 90 ASP CA C 13 57.632 0.03 . 1 . . . . . 1134 ASP CA . 51077 1 864 . 1 . 1 90 90 ASP CB C 13 40.267 0.04 . 1 . . . . . 1134 ASP CB . 51077 1 865 . 1 . 1 90 90 ASP N N 15 123.996 0.06 . 1 . . . . . 1134 ASP N . 51077 1 866 . 1 . 1 91 91 LEU H H 1 8.020 0.00 . 1 . . . . . 1135 LEU H . 51077 1 867 . 1 . 1 91 91 LEU HA H 1 4.156 0.00 . 1 . . . . . 1135 LEU HA . 51077 1 868 . 1 . 1 91 91 LEU HB2 H 1 1.568 0.00 . 2 . . . . . 1135 LEU HB2 . 51077 1 869 . 1 . 1 91 91 LEU HB3 H 1 1.124 0.02 . 2 . . . . . 1135 LEU HB3 . 51077 1 870 . 1 . 1 91 91 LEU HG H 1 1.595 0.00 . 1 . . . . . 1135 LEU HG . 51077 1 871 . 1 . 1 91 91 LEU HD11 H 1 0.770 0.00 . 2 . . . . . 1135 LEU HD1 . 51077 1 872 . 1 . 1 91 91 LEU HD12 H 1 0.770 0.00 . 2 . . . . . 1135 LEU HD1 . 51077 1 873 . 1 . 1 91 91 LEU HD13 H 1 0.770 0.00 . 2 . . . . . 1135 LEU HD1 . 51077 1 874 . 1 . 1 91 91 LEU HD21 H 1 0.731 0.01 . 2 . . . . . 1135 LEU HD2 . 51077 1 875 . 1 . 1 91 91 LEU HD22 H 1 0.731 0.01 . 2 . . . . . 1135 LEU HD2 . 51077 1 876 . 1 . 1 91 91 LEU HD23 H 1 0.731 0.01 . 2 . . . . . 1135 LEU HD2 . 51077 1 877 . 1 . 1 91 91 LEU C C 13 178.640 0.01 . 1 . . . . . 1135 LEU C . 51077 1 878 . 1 . 1 91 91 LEU CA C 13 56.792 0.06 . 1 . . . . . 1135 LEU CA . 51077 1 879 . 1 . 1 91 91 LEU CB C 13 43.650 0.03 . 1 . . . . . 1135 LEU CB . 51077 1 880 . 1 . 1 91 91 LEU CG C 13 26.049 0.01 . 1 . . . . . 1135 LEU CG . 51077 1 881 . 1 . 1 91 91 LEU CD1 C 13 25.711 0.00 . 2 . . . . . 1135 LEU CD1 . 51077 1 882 . 1 . 1 91 91 LEU CD2 C 13 22.099 0.05 . 2 . . . . . 1135 LEU CD2 . 51077 1 883 . 1 . 1 91 91 LEU N N 15 115.868 0.01 . 1 . . . . . 1135 LEU N . 51077 1 884 . 1 . 1 92 92 THR H H 1 7.808 0.00 . 1 . . . . . 1136 THR H . 51077 1 885 . 1 . 1 92 92 THR HA H 1 4.051 0.01 . 1 . . . . . 1136 THR HA . 51077 1 886 . 1 . 1 92 92 THR HB H 1 3.973 0.00 . 1 . . . . . 1136 THR HB . 51077 1 887 . 1 . 1 92 92 THR HG21 H 1 0.349 0.01 . 1 . . . . . 1136 THR HG2 . 51077 1 888 . 1 . 1 92 92 THR HG22 H 1 0.349 0.01 . 1 . . . . . 1136 THR HG2 . 51077 1 889 . 1 . 1 92 92 THR HG23 H 1 0.349 0.01 . 1 . . . . . 1136 THR HG2 . 51077 1 890 . 1 . 1 92 92 THR C C 13 175.104 0.00 . 1 . . . . . 1136 THR C . 51077 1 891 . 1 . 1 92 92 THR CA C 13 61.338 0.05 . 1 . . . . . 1136 THR CA . 51077 1 892 . 1 . 1 92 92 THR CB C 13 71.684 0.04 . 1 . . . . . 1136 THR CB . 51077 1 893 . 1 . 1 92 92 THR CG2 C 13 20.931 0.01 . 1 . . . . . 1136 THR CG2 . 51077 1 894 . 1 . 1 92 92 THR N N 15 105.420 0.06 . 1 . . . . . 1136 THR N . 51077 1 895 . 1 . 1 93 93 GLY H H 1 8.073 0.00 . 1 . . . . . 1137 GLY H . 51077 1 896 . 1 . 1 93 93 GLY HA2 H 1 4.260 0.01 . 2 . . . . . 1137 GLY HA2 . 51077 1 897 . 1 . 1 93 93 GLY HA3 H 1 3.842 0.02 . 2 . . . . . 1137 GLY HA3 . 51077 1 898 . 1 . 1 93 93 GLY C C 13 173.520 0.00 . 1 . . . . . 1137 GLY C . 51077 1 899 . 1 . 1 93 93 GLY CA C 13 45.538 0.05 . 1 . . . . . 1137 GLY CA . 51077 1 900 . 1 . 1 93 93 GLY N N 15 111.880 0.03 . 1 . . . . . 1137 GLY N . 51077 1 901 . 1 . 1 94 94 ARG H H 1 7.843 0.00 . 1 . . . . . 1138 ARG H . 51077 1 902 . 1 . 1 94 94 ARG C C 13 176.088 0.00 . 1 . . . . . 1138 ARG C . 51077 1 903 . 1 . 1 94 94 ARG CA C 13 53.211 0.00 . 1 . . . . . 1138 ARG CA . 51077 1 904 . 1 . 1 94 94 ARG CB C 13 31.456 0.00 . 1 . . . . . 1138 ARG CB . 51077 1 905 . 1 . 1 94 94 ARG N N 15 119.416 0.03 . 1 . . . . . 1138 ARG N . 51077 1 906 . 1 . 1 95 95 PRO HA H 1 4.330 0.02 . 1 . . . . . 1139 PRO HA . 51077 1 907 . 1 . 1 95 95 PRO HB2 H 1 2.007 0.00 . 2 . . . . . 1139 PRO HB2 . 51077 1 908 . 1 . 1 95 95 PRO HB3 H 1 1.789 0.01 . 2 . . . . . 1139 PRO HB3 . 51077 1 909 . 1 . 1 95 95 PRO HG2 H 1 1.595 0.00 . 1 . . . . . 1139 PRO HG2 . 51077 1 910 . 1 . 1 95 95 PRO HG3 H 1 1.599 0.00 . 1 . . . . . 1139 PRO HG3 . 51077 1 911 . 1 . 1 95 95 PRO HD2 H 1 3.491 0.01 . 1 . . . . . 1139 PRO HD2 . 51077 1 912 . 1 . 1 95 95 PRO HD3 H 1 3.495 0.01 . 1 . . . . . 1139 PRO HD3 . 51077 1 913 . 1 . 1 95 95 PRO C C 13 175.031 0.00 . 1 . . . . . 1139 PRO C . 51077 1 914 . 1 . 1 95 95 PRO CA C 13 63.125 0.02 . 1 . . . . . 1139 PRO CA . 51077 1 915 . 1 . 1 95 95 PRO CB C 13 31.696 0.02 . 1 . . . . . 1139 PRO CB . 51077 1 916 . 1 . 1 95 95 PRO CG C 13 26.660 0.01 . 1 . . . . . 1139 PRO CG . 51077 1 917 . 1 . 1 95 95 PRO CD C 13 50.243 0.01 . 1 . . . . . 1139 PRO CD . 51077 1 918 . 1 . 1 96 96 TYR H H 1 6.857 0.00 . 1 . . . . . 1140 TYR H . 51077 1 919 . 1 . 1 96 96 TYR C C 13 179.094 0.00 . 1 . . . . . 1140 TYR C . 51077 1 920 . 1 . 1 96 96 TYR CA C 13 58.483 0.00 . 1 . . . . . 1140 TYR CA . 51077 1 921 . 1 . 1 96 96 TYR CB C 13 38.983 0.00 . 1 . . . . . 1140 TYR CB . 51077 1 922 . 1 . 1 96 96 TYR N N 15 121.516 0.02 . 1 . . . . . 1140 TYR N . 51077 1 stop_ save_