data_30007 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30007 _Entry.Title ; Solution structure of the apo state of the acyl carrier protein from the MLSA2 subunit of the mycolactone polyketide synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-28 _Entry.Accession_date 2016-01-28 _Entry.Last_release_date 2016-03-14 _Entry.Original_release_date 2016-03-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Vance S. . . . 30007 2 O. Tkachenko O. . . . 30007 3 B. Thomas B. . . . 30007 4 M. Bassuni M. . . . 30007 5 H. Hong H. . . . 30007 6 D. Nietlispach D. . . . 30007 7 R. Broadhurst R. W. . . 30007 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Transferase . 30007 'acyl carrier protein mycolactone' . 30007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 30007 '15N chemical shifts' 93 30007 '1H chemical shifts' 542 30007 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 . . 2016-03-14 . original BMRB . 30007 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5HVC 'BMRB Entry Tracking System' 30007 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30007 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The dynamics of a sticky swinging arm: studies of an acyl carrier protein domain from the mycolactone polyketide synthase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Vance S. . . . 30007 1 2 O. Tkachenko O. . . . 30007 1 3 B. Thomas B. . . . 30007 1 4 M. Bassuni M. . . . 30007 1 5 H. Hong H. . . . 30007 1 6 D. Nietlispach D. . . . 30007 1 7 R. Broadhurst R. W. . . 30007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30007 _Assembly.ID 1 _Assembly.Name 'Type I modular polyketide synthase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30007 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMRLNGLSPQQQQQTLAT LVAAATATVLGHHTPESISP ATAFKDLGIDSLTALELRNT LTHNTGLDLPPTLIFDHPTP HALTQHLHTRLTQSH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Acyl carrier protein fragment, UNP residues 2050 to 2140' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10237.473 _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 2046 GLY . 30007 1 2 2047 SER . 30007 1 3 2048 HIS . 30007 1 4 2049 MET . 30007 1 5 2050 ARG . 30007 1 6 2051 LEU . 30007 1 7 2052 ASN . 30007 1 8 2053 GLY . 30007 1 9 2054 LEU . 30007 1 10 2055 SER . 30007 1 11 2056 PRO . 30007 1 12 2057 GLN . 30007 1 13 2058 GLN . 30007 1 14 2059 GLN . 30007 1 15 2060 GLN . 30007 1 16 2061 GLN . 30007 1 17 2062 THR . 30007 1 18 2063 LEU . 30007 1 19 2064 ALA . 30007 1 20 2065 THR . 30007 1 21 2066 LEU . 30007 1 22 2067 VAL . 30007 1 23 2068 ALA . 30007 1 24 2069 ALA . 30007 1 25 2070 ALA . 30007 1 26 2071 THR . 30007 1 27 2072 ALA . 30007 1 28 2073 THR . 30007 1 29 2074 VAL . 30007 1 30 2075 LEU . 30007 1 31 2076 GLY . 30007 1 32 2077 HIS . 30007 1 33 2078 HIS . 30007 1 34 2079 THR . 30007 1 35 2080 PRO . 30007 1 36 2081 GLU . 30007 1 37 2082 SER . 30007 1 38 2083 ILE . 30007 1 39 2084 SER . 30007 1 40 2085 PRO . 30007 1 41 2086 ALA . 30007 1 42 2087 THR . 30007 1 43 2088 ALA . 30007 1 44 2089 PHE . 30007 1 45 2090 LYS . 30007 1 46 2091 ASP . 30007 1 47 2092 LEU . 30007 1 48 2093 GLY . 30007 1 49 2094 ILE . 30007 1 50 2095 ASP . 30007 1 51 2096 SER . 30007 1 52 2097 LEU . 30007 1 53 2098 THR . 30007 1 54 2099 ALA . 30007 1 55 2100 LEU . 30007 1 56 2101 GLU . 30007 1 57 2102 LEU . 30007 1 58 2103 ARG . 30007 1 59 2104 ASN . 30007 1 60 2105 THR . 30007 1 61 2106 LEU . 30007 1 62 2107 THR . 30007 1 63 2108 HIS . 30007 1 64 2109 ASN . 30007 1 65 2110 THR . 30007 1 66 2111 GLY . 30007 1 67 2112 LEU . 30007 1 68 2113 ASP . 30007 1 69 2114 LEU . 30007 1 70 2115 PRO . 30007 1 71 2116 PRO . 30007 1 72 2117 THR . 30007 1 73 2118 LEU . 30007 1 74 2119 ILE . 30007 1 75 2120 PHE . 30007 1 76 2121 ASP . 30007 1 77 2122 HIS . 30007 1 78 2123 PRO . 30007 1 79 2124 THR . 30007 1 80 2125 PRO . 30007 1 81 2126 HIS . 30007 1 82 2127 ALA . 30007 1 83 2128 LEU . 30007 1 84 2129 THR . 30007 1 85 2130 GLN . 30007 1 86 2131 HIS . 30007 1 87 2132 LEU . 30007 1 88 2133 HIS . 30007 1 89 2134 THR . 30007 1 90 2135 ARG . 30007 1 91 2136 LEU . 30007 1 92 2137 THR . 30007 1 93 2138 GLN . 30007 1 94 2139 SER . 30007 1 95 2140 HIS . 30007 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30007 1 . SER 2 2 30007 1 . HIS 3 3 30007 1 . MET 4 4 30007 1 . ARG 5 5 30007 1 . LEU 6 6 30007 1 . ASN 7 7 30007 1 . GLY 8 8 30007 1 . LEU 9 9 30007 1 . SER 10 10 30007 1 . PRO 11 11 30007 1 . GLN 12 12 30007 1 . GLN 13 13 30007 1 . GLN 14 14 30007 1 . GLN 15 15 30007 1 . GLN 16 16 30007 1 . THR 17 17 30007 1 . LEU 18 18 30007 1 . ALA 19 19 30007 1 . THR 20 20 30007 1 . LEU 21 21 30007 1 . VAL 22 22 30007 1 . ALA 23 23 30007 1 . ALA 24 24 30007 1 . ALA 25 25 30007 1 . THR 26 26 30007 1 . ALA 27 27 30007 1 . THR 28 28 30007 1 . VAL 29 29 30007 1 . LEU 30 30 30007 1 . GLY 31 31 30007 1 . HIS 32 32 30007 1 . HIS 33 33 30007 1 . THR 34 34 30007 1 . PRO 35 35 30007 1 . GLU 36 36 30007 1 . SER 37 37 30007 1 . ILE 38 38 30007 1 . SER 39 39 30007 1 . PRO 40 40 30007 1 . ALA 41 41 30007 1 . THR 42 42 30007 1 . ALA 43 43 30007 1 . PHE 44 44 30007 1 . LYS 45 45 30007 1 . ASP 46 46 30007 1 . LEU 47 47 30007 1 . GLY 48 48 30007 1 . ILE 49 49 30007 1 . ASP 50 50 30007 1 . SER 51 51 30007 1 . LEU 52 52 30007 1 . THR 53 53 30007 1 . ALA 54 54 30007 1 . LEU 55 55 30007 1 . GLU 56 56 30007 1 . LEU 57 57 30007 1 . ARG 58 58 30007 1 . ASN 59 59 30007 1 . THR 60 60 30007 1 . LEU 61 61 30007 1 . THR 62 62 30007 1 . HIS 63 63 30007 1 . ASN 64 64 30007 1 . THR 65 65 30007 1 . GLY 66 66 30007 1 . LEU 67 67 30007 1 . ASP 68 68 30007 1 . LEU 69 69 30007 1 . PRO 70 70 30007 1 . PRO 71 71 30007 1 . THR 72 72 30007 1 . LEU 73 73 30007 1 . ILE 74 74 30007 1 . PHE 75 75 30007 1 . ASP 76 76 30007 1 . HIS 77 77 30007 1 . PRO 78 78 30007 1 . THR 79 79 30007 1 . PRO 80 80 30007 1 . HIS 81 81 30007 1 . ALA 82 82 30007 1 . LEU 83 83 30007 1 . THR 84 84 30007 1 . GLN 85 85 30007 1 . HIS 86 86 30007 1 . LEU 87 87 30007 1 . HIS 88 88 30007 1 . THR 89 89 30007 1 . ARG 90 90 30007 1 . LEU 91 91 30007 1 . THR 92 92 30007 1 . GLN 93 93 30007 1 . SER 94 94 30007 1 . HIS 95 95 30007 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30007 _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 . 1809 organism . 'Mycobacterium ulcerans' 'Mycobacterium ulcerans' . . Bacteria . Mycobacterium ulcerans . . . . . . . . . . . 'mlsA2, MUP039c' . 30007 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30007 _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 BL21(DE3)' . . 469008 . . . Tuner . Plasmid . . pET28 . . . 30007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30007 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '150 mM sodium phosphate, 0.1 mM 333-trimethylsilylpropionate, sodium salt, 90% H2O/10% D2O' _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 entity_1 . . . 1 $entity_1 . . . . . mM . . . . 30007 1 2 '333-trimethylsilylpropionate, sodium salt' 'natural abundance' . . . . . . 0.1 . . mM .05 . . . 30007 1 3 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM 25 . . . 30007 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 30007 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 25 mM 30007 1 pH 7.5 .05 pH 30007 1 pressure 1 . atm 30007 1 temperature 283 0.1 K 30007 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30007 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30007 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30007 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30007 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30007 2 'peak picking' 30007 2 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 30007 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30007 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30007 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 30007 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30007 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30007 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [1H,15N]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 2 '3D 15N-TOCSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 3 '3D 15N-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30007 1 9 '3D 13C-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30007 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 30007 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . . . . . 30007 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . . . . . 30007 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 30007 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 30007 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 30007 1 2 '3D 15N-TOCSY-HSQC' . . . 30007 1 3 '3D 15N-NOESY-HSQC' . . . 30007 1 4 '3D HNCA' . . . 30007 1 5 '3D HNCACB' . . . 30007 1 6 '3D HCCH-TOCSY' . . . 30007 1 7 '3D CBCA(CO)NH' . . . 30007 1 8 '3D HN(CO)CA' . . . 30007 1 9 '3D 13C-NOESY-HSQC' . . . 30007 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 2 $software_2 . . 30007 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 43.668 0 . 1 . . 1 A 2046 GLY CA . 30007 1 2 . 1 1 1 1 GLY HA2 H 1 3.828 0 . 1 . . 1 A 2046 GLY HA2 . 30007 1 3 . 1 1 1 1 GLY HA3 H 1 3.828 0 . 1 . . 1 A 2046 GLY HA2 . 30007 1 4 . 1 1 3 3 HIS CA C 13 55.735 0 . 1 . . 1 A 2048 HIS CA . 30007 1 5 . 1 1 3 3 HIS CB C 13 30.776 0 . 1 . . 1 A 2048 HIS CB . 30007 1 6 . 1 1 3 3 HIS CD2 C 13 119.689 0 . 1 . . 1 A 2048 HIS CD2 . 30007 1 7 . 1 1 3 3 HIS CE1 C 13 138.289 0 . 1 . . 1 A 2048 HIS CE1 . 30007 1 8 . 1 1 3 3 HIS HA H 1 4.717 0 . 1 . . 1 A 2048 HIS HA . 30007 1 9 . 1 1 3 3 HIS HD2 H 1 7.027 0 . 1 . . 1 A 2048 HIS HD2 . 30007 1 10 . 1 1 3 3 HIS HE1 H 1 7.84 0 . 1 . . 1 A 2048 HIS HE1 . 30007 1 11 . 1 1 4 4 MET CA C 13 55.849 0.111 . 1 . . 1 A 2049 MET CA . 30007 1 12 . 1 1 4 4 MET CB C 13 33.219 0 . 1 . . 1 A 2049 MET CB . 30007 1 13 . 1 1 4 4 MET CE C 13 16.98 0 . 1 . . 1 A 2049 MET CE . 30007 1 14 . 1 1 4 4 MET H H 1 8.302 0.011 . 1 . . 1 A 2049 MET H . 30007 1 15 . 1 1 4 4 MET HA H 1 4.322 0.008 . 1 . . 1 A 2049 MET HA . 30007 1 16 . 1 1 4 4 MET HB2 H 1 2.021 0.001 . 2 . . 1 A 2049 MET HB2 . 30007 1 17 . 1 1 4 4 MET HB3 H 1 2.021 0.001 . 2 . . 1 A 2049 MET HB3 . 30007 1 18 . 1 1 4 4 MET HE1 H 1 2.024 0 . 1 . . 1 A 2049 MET HE1 . 30007 1 19 . 1 1 4 4 MET HE2 H 1 2.024 0 . 1 . . 1 A 2049 MET HE2 . 30007 1 20 . 1 1 4 4 MET HE3 H 1 2.024 0 . 1 . . 1 A 2049 MET HE3 . 30007 1 21 . 1 1 4 4 MET HG2 H 1 2.43 0.013 . 1 . . 1 A 2049 MET HG2 . 30007 1 22 . 1 1 4 4 MET HG3 H 1 2.43 0.013 . 1 . . 1 A 2049 MET HG3 . 30007 1 23 . 1 1 4 4 MET N N 15 121.664 0.03 . 1 . . 1 A 2049 MET N . 30007 1 24 . 1 1 5 5 ARG CA C 13 55.692 0.093 . 1 . . 1 A 2050 ARG CA . 30007 1 25 . 1 1 5 5 ARG CB C 13 30.395 0.082 . 1 . . 1 A 2050 ARG CB . 30007 1 26 . 1 1 5 5 ARG CD C 13 43.026 0.082 . 1 . . 1 A 2050 ARG CD . 30007 1 27 . 1 1 5 5 ARG CG C 13 26.628 0.058 . 1 . . 1 A 2050 ARG CG . 30007 1 28 . 1 1 5 5 ARG H H 1 8.697 0.022 . 1 . . 1 A 2050 ARG H . 30007 1 29 . 1 1 5 5 ARG HA H 1 4.476 0.007 . 1 . . 1 A 2050 ARG HA . 30007 1 30 . 1 1 5 5 ARG HB2 H 1 1.865 0.023 . 2 . . 1 A 2050 ARG HB2 . 30007 1 31 . 1 1 5 5 ARG HB3 H 1 1.842 0.019 . 2 . . 1 A 2050 ARG HB3 . 30007 1 32 . 1 1 5 5 ARG HD2 H 1 3.193 0.004 . 1 . . 1 A 2050 ARG HD2 . 30007 1 33 . 1 1 5 5 ARG HD3 H 1 3.193 0.004 . 1 . . 1 A 2050 ARG HD3 . 30007 1 34 . 1 1 5 5 ARG HG2 H 1 1.651 0.028 . 2 . . 1 A 2050 ARG HG2 . 30007 1 35 . 1 1 5 5 ARG HG3 H 1 1.622 0.011 . 2 . . 1 A 2050 ARG HG3 . 30007 1 36 . 1 1 5 5 ARG N N 15 123.91 0.15 . 1 . . 1 A 2050 ARG N . 30007 1 37 . 1 1 6 6 LEU C C 13 174.745 0 . 1 . . 1 A 2051 LEU C . 30007 1 38 . 1 1 6 6 LEU CA C 13 54.441 0.172 . 1 . . 1 A 2051 LEU CA . 30007 1 39 . 1 1 6 6 LEU CB C 13 42.248 0.152 . 1 . . 1 A 2051 LEU CB . 30007 1 40 . 1 1 6 6 LEU CD1 C 13 22.536 0.011 . 1 . . 1 A 2051 LEU CD1 . 30007 1 41 . 1 1 6 6 LEU CG C 13 26.362 0.103 . 1 . . 1 A 2051 LEU CG . 30007 1 42 . 1 1 6 6 LEU H H 1 8.735 0.021 . 1 . . 1 A 2051 LEU H . 30007 1 43 . 1 1 6 6 LEU HA H 1 4.489 0.011 . 1 . . 1 A 2051 LEU HA . 30007 1 44 . 1 1 6 6 LEU HB3 H 1 1.608 0.028 . 1 . . 1 A 2051 LEU HB3 . 30007 1 45 . 1 1 6 6 LEU HD11 H 1 0.824 0.011 . 1 . . 1 A 2051 LEU HD11 . 30007 1 46 . 1 1 6 6 LEU HD12 H 1 0.824 0.011 . 1 . . 1 A 2051 LEU HD12 . 30007 1 47 . 1 1 6 6 LEU HD13 H 1 0.824 0.011 . 1 . . 1 A 2051 LEU HD13 . 30007 1 48 . 1 1 6 6 LEU HD21 H 1 0.824 0.011 . 1 . . 1 A 2051 LEU HD21 . 30007 1 49 . 1 1 6 6 LEU HD22 H 1 0.824 0.011 . 1 . . 1 A 2051 LEU HD22 . 30007 1 50 . 1 1 6 6 LEU HD23 H 1 0.824 0.011 . 1 . . 1 A 2051 LEU HD23 . 30007 1 51 . 1 1 6 6 LEU HG H 1 1.595 0.001 . 1 . . 1 A 2051 LEU HG . 30007 1 52 . 1 1 6 6 LEU N N 15 122.072 0.121 . 1 . . 1 A 2051 LEU N . 30007 1 53 . 1 1 7 7 ASN CA C 13 54.76 0.095 . 1 . . 1 A 2052 ASN CA . 30007 1 54 . 1 1 7 7 ASN CB C 13 38.183 0.265 . 1 . . 1 A 2052 ASN CB . 30007 1 55 . 1 1 7 7 ASN H H 1 8.307 0.016 . 1 . . 1 A 2052 ASN H . 30007 1 56 . 1 1 7 7 ASN HA H 1 4.471 0.01 . 1 . . 1 A 2052 ASN HA . 30007 1 57 . 1 1 7 7 ASN HB2 H 1 2.772 0.012 . 2 . . 1 A 2052 ASN HB2 . 30007 1 58 . 1 1 7 7 ASN HB3 H 1 2.797 0 . 2 . . 1 A 2052 ASN HB3 . 30007 1 59 . 1 1 7 7 ASN HD21 H 1 7.805 0.016 . 1 . . 1 A 2052 ASN HD21 . 30007 1 60 . 1 1 7 7 ASN HD22 H 1 7.07 0.016 . 1 . . 1 A 2052 ASN HD22 . 30007 1 61 . 1 1 7 7 ASN N N 15 117.856 0.128 . 1 . . 1 A 2052 ASN N . 30007 1 62 . 1 1 7 7 ASN ND2 N 15 113.878 0.124 . 1 . . 1 A 2052 ASN ND2 . 30007 1 63 . 1 1 8 8 GLY C C 13 171.374 0 . 1 . . 1 A 2053 GLY C . 30007 1 64 . 1 1 8 8 GLY CA C 13 45.171 0.068 . 1 . . 1 A 2053 GLY CA . 30007 1 65 . 1 1 8 8 GLY H H 1 8.386 0.019 . 1 . . 1 A 2053 GLY H . 30007 1 66 . 1 1 8 8 GLY HA2 H 1 3.841 0.003 . 2 . . 1 A 2053 GLY HA2 . 30007 1 67 . 1 1 8 8 GLY HA3 H 1 4.046 0.007 . 2 . . 1 A 2053 GLY HA3 . 30007 1 68 . 1 1 8 8 GLY N N 15 114.272 0.13 . 1 . . 1 A 2053 GLY N . 30007 1 69 . 1 1 9 9 LEU C C 13 174.605 0 . 1 . . 1 A 2054 LEU C . 30007 1 70 . 1 1 9 9 LEU CA C 13 53.446 0.113 . 1 . . 1 A 2054 LEU CA . 30007 1 71 . 1 1 9 9 LEU CB C 13 43.47 0.13 . 1 . . 1 A 2054 LEU CB . 30007 1 72 . 1 1 9 9 LEU CG C 13 26.522 0 . 1 . . 1 A 2054 LEU CG . 30007 1 73 . 1 1 9 9 LEU H H 1 7.418 0.012 . 1 . . 1 A 2054 LEU H . 30007 1 74 . 1 1 9 9 LEU HA H 1 4.659 0.011 . 1 . . 1 A 2054 LEU HA . 30007 1 75 . 1 1 9 9 LEU HB2 H 1 1.562 0.016 . 2 . . 1 A 2054 LEU HB2 . 30007 1 76 . 1 1 9 9 LEU HB3 H 1 1.863 0.01 . 2 . . 1 A 2054 LEU HB3 . 30007 1 77 . 1 1 9 9 LEU HD11 H 1 0.799 0.014 . 1 . . 1 A 2054 LEU HD11 . 30007 1 78 . 1 1 9 9 LEU HD12 H 1 0.799 0.014 . 1 . . 1 A 2054 LEU HD12 . 30007 1 79 . 1 1 9 9 LEU HD13 H 1 0.799 0.014 . 1 . . 1 A 2054 LEU HD13 . 30007 1 80 . 1 1 9 9 LEU HG H 1 1.581 0 . 1 . . 1 A 2054 LEU HG . 30007 1 81 . 1 1 9 9 LEU N N 15 120.347 0.128 . 1 . . 1 A 2054 LEU N . 30007 1 82 . 1 1 10 10 SER CA C 13 56.393 0.077 . 1 . . 1 A 2055 SER CA . 30007 1 83 . 1 1 10 10 SER CB C 13 61.849 0 . 1 . . 1 A 2055 SER CB . 30007 1 84 . 1 1 10 10 SER H H 1 9.041 0.022 . 1 . . 1 A 2055 SER H . 30007 1 85 . 1 1 10 10 SER HA H 1 4.748 0.008 . 1 . . 1 A 2055 SER HA . 30007 1 86 . 1 1 10 10 SER N N 15 119.496 0.12 . 1 . . 1 A 2055 SER N . 30007 1 87 . 1 1 11 11 PRO C C 13 176.636 0 . 1 . . 1 A 2056 PRO C . 30007 1 88 . 1 1 11 11 PRO CA C 13 66.243 0.082 . 1 . . 1 A 2056 PRO CA . 30007 1 89 . 1 1 11 11 PRO CB C 13 31.518 0.119 . 1 . . 1 A 2056 PRO CB . 30007 1 90 . 1 1 11 11 PRO CD C 13 49.492 0 . 1 . . 1 A 2056 PRO CD . 30007 1 91 . 1 1 11 11 PRO CG C 13 27.35 0 . 1 . . 1 A 2056 PRO CG . 30007 1 92 . 1 1 11 11 PRO HA H 1 4.373 0.01 . 1 . . 1 A 2056 PRO HA . 30007 1 93 . 1 1 11 11 PRO HB2 H 1 2.488 0.019 . 2 . . 1 A 2056 PRO HB2 . 30007 1 94 . 1 1 11 11 PRO HB3 H 1 2.01 0.004 . 2 . . 1 A 2056 PRO HB3 . 30007 1 95 . 1 1 12 12 GLN C C 13 176.511 0 . 1 . . 1 A 2057 GLN C . 30007 1 96 . 1 1 12 12 GLN CA C 13 59.18 0.096 . 1 . . 1 A 2057 GLN CA . 30007 1 97 . 1 1 12 12 GLN CB C 13 27.785 0 . 1 . . 1 A 2057 GLN CB . 30007 1 98 . 1 1 12 12 GLN CG C 13 33.548 0.024 . 1 . . 1 A 2057 GLN CG . 30007 1 99 . 1 1 12 12 GLN H H 1 8.533 0.014 . 1 . . 1 A 2057 GLN H . 30007 1 100 . 1 1 12 12 GLN HA H 1 4.067 0.013 . 1 . . 1 A 2057 GLN HA . 30007 1 101 . 1 1 12 12 GLN HB2 H 1 2.054 0 . 2 . . 1 A 2057 GLN HB2 . 30007 1 102 . 1 1 12 12 GLN HB3 H 1 2.05 0.014 . 2 . . 1 A 2057 GLN HB3 . 30007 1 103 . 1 1 12 12 GLN HE22 H 1 7.646 0.017 . 1 . . 1 A 2057 GLN HE22 . 30007 1 104 . 1 1 12 12 GLN HG2 H 1 2.449 0.014 . 2 . . 1 A 2057 GLN HG2 . 30007 1 105 . 1 1 12 12 GLN HG3 H 1 2.43 0 . 2 . . 1 A 2057 GLN HG3 . 30007 1 106 . 1 1 12 12 GLN N N 15 116.364 0.125 . 1 . . 1 A 2057 GLN N . 30007 1 107 . 1 1 12 12 GLN NE2 N 15 112.643 0.065 . 1 . . 1 A 2057 GLN NE2 . 30007 1 108 . 1 1 13 13 GLN C C 13 177.613 0 . 1 . . 1 A 2058 GLN C . 30007 1 109 . 1 1 13 13 GLN CA C 13 58.339 0.082 . 1 . . 1 A 2058 GLN CA . 30007 1 110 . 1 1 13 13 GLN CB C 13 29.271 0.132 . 1 . . 1 A 2058 GLN CB . 30007 1 111 . 1 1 13 13 GLN CG C 13 34.161 0.175 . 1 . . 1 A 2058 GLN CG . 30007 1 112 . 1 1 13 13 GLN H H 1 7.935 0.017 . 1 . . 1 A 2058 GLN H . 30007 1 113 . 1 1 13 13 GLN HA H 1 4.157 0.007 . 1 . . 1 A 2058 GLN HA . 30007 1 114 . 1 1 13 13 GLN HB2 H 1 2.077 0.009 . 2 . . 1 A 2058 GLN HB2 . 30007 1 115 . 1 1 13 13 GLN HB3 H 1 2.432 0.017 . 2 . . 1 A 2058 GLN HB3 . 30007 1 116 . 1 1 13 13 GLN HE22 H 1 7.699 0.011 . 1 . . 1 A 2058 GLN HE22 . 30007 1 117 . 1 1 13 13 GLN HG2 H 1 2.445 0 . 1 . . 1 A 2058 GLN HG2 . 30007 1 118 . 1 1 13 13 GLN HG3 H 1 2.445 0 . 1 . . 1 A 2058 GLN HG3 . 30007 1 119 . 1 1 13 13 GLN N N 15 120.229 0.147 . 1 . . 1 A 2058 GLN N . 30007 1 120 . 1 1 13 13 GLN NE2 N 15 112.58 0.088 . 1 . . 1 A 2058 GLN NE2 . 30007 1 121 . 1 1 14 14 GLN C C 13 175.313 0 . 1 . . 1 A 2059 GLN C . 30007 1 122 . 1 1 14 14 GLN CA C 13 59.388 0.101 . 1 . . 1 A 2059 GLN CA . 30007 1 123 . 1 1 14 14 GLN CB C 13 28.724 0.12 . 1 . . 1 A 2059 GLN CB . 30007 1 124 . 1 1 14 14 GLN CG C 13 34.289 0 . 1 . . 1 A 2059 GLN CG . 30007 1 125 . 1 1 14 14 GLN H H 1 9.123 0.017 . 1 . . 1 A 2059 GLN H . 30007 1 126 . 1 1 14 14 GLN HA H 1 3.834 0.009 . 1 . . 1 A 2059 GLN HA . 30007 1 127 . 1 1 14 14 GLN HB3 H 1 2.598 0.007 . 1 . . 1 A 2059 GLN HB3 . 30007 1 128 . 1 1 14 14 GLN HE21 H 1 7.085 0.014 . 1 . . 1 A 2059 GLN HE21 . 30007 1 129 . 1 1 14 14 GLN HE22 H 1 7.41 0.014 . 1 . . 1 A 2059 GLN HE22 . 30007 1 130 . 1 1 14 14 GLN N N 15 121.485 0.11 . 1 . . 1 A 2059 GLN N . 30007 1 131 . 1 1 14 14 GLN NE2 N 15 112.061 0.113 . 1 . . 1 A 2059 GLN NE2 . 30007 1 132 . 1 1 15 15 GLN C C 13 175.177 0 . 1 . . 1 A 2060 GLN C . 30007 1 133 . 1 1 15 15 GLN CA C 13 59.861 0.087 . 1 . . 1 A 2060 GLN CA . 30007 1 134 . 1 1 15 15 GLN CB C 13 27.574 0.154 . 1 . . 1 A 2060 GLN CB . 30007 1 135 . 1 1 15 15 GLN CG C 13 33.64 0.147 . 1 . . 1 A 2060 GLN CG . 30007 1 136 . 1 1 15 15 GLN H H 1 7.993 0.014 . 1 . . 1 A 2060 GLN H . 30007 1 137 . 1 1 15 15 GLN HA H 1 3.54 0.009 . 1 . . 1 A 2060 GLN HA . 30007 1 138 . 1 1 15 15 GLN HB3 H 1 2.033 0 . 1 . . 1 A 2060 GLN HB3 . 30007 1 139 . 1 1 15 15 GLN HE21 H 1 7.065 0.011 . 1 . . 1 A 2060 GLN HE21 . 30007 1 140 . 1 1 15 15 GLN HE22 H 1 6.896 0.108 . 1 . . 1 A 2060 GLN HE22 . 30007 1 141 . 1 1 15 15 GLN HG2 H 1 2.112 0.006 . 2 . . 1 A 2060 GLN HG2 . 30007 1 142 . 1 1 15 15 GLN HG3 H 1 1.947 0.014 . 2 . . 1 A 2060 GLN HG3 . 30007 1 143 . 1 1 15 15 GLN N N 15 117.726 0.118 . 1 . . 1 A 2060 GLN N . 30007 1 144 . 1 1 15 15 GLN NE2 N 15 110.252 0.088 . 1 . . 1 A 2060 GLN NE2 . 30007 1 145 . 1 1 16 16 GLN C C 13 176.469 0 . 1 . . 1 A 2061 GLN C . 30007 1 146 . 1 1 16 16 GLN CA C 13 58.604 0.1 . 1 . . 1 A 2061 GLN CA . 30007 1 147 . 1 1 16 16 GLN CB C 13 28.277 0.042 . 1 . . 1 A 2061 GLN CB . 30007 1 148 . 1 1 16 16 GLN CG C 13 33.393 0.021 . 1 . . 1 A 2061 GLN CG . 30007 1 149 . 1 1 16 16 GLN H H 1 8.116 0.014 . 1 . . 1 A 2061 GLN H . 30007 1 150 . 1 1 16 16 GLN HA H 1 4.119 0.021 . 1 . . 1 A 2061 GLN HA . 30007 1 151 . 1 1 16 16 GLN HB2 H 1 2.159 0.009 . 2 . . 1 A 2061 GLN HB2 . 30007 1 152 . 1 1 16 16 GLN HB3 H 1 2.151 0 . 2 . . 1 A 2061 GLN HB3 . 30007 1 153 . 1 1 16 16 GLN HE21 H 1 7.541 0.008 . 1 . . 1 A 2061 GLN HE21 . 30007 1 154 . 1 1 16 16 GLN HG2 H 1 2.448 0 . 2 . . 1 A 2061 GLN HG2 . 30007 1 155 . 1 1 16 16 GLN HG3 H 1 2.468 0.012 . 2 . . 1 A 2061 GLN HG3 . 30007 1 156 . 1 1 16 16 GLN N N 15 118.546 0.106 . 1 . . 1 A 2061 GLN N . 30007 1 157 . 1 1 16 16 GLN NE2 N 15 112.538 0.127 . 1 . . 1 A 2061 GLN NE2 . 30007 1 158 . 1 1 17 17 THR C C 13 174.656 0 . 1 . . 1 A 2062 THR C . 30007 1 159 . 1 1 17 17 THR CA C 13 66.841 0.132 . 1 . . 1 A 2062 THR CA . 30007 1 160 . 1 1 17 17 THR CB C 13 68.611 0.059 . 1 . . 1 A 2062 THR CB . 30007 1 161 . 1 1 17 17 THR CG2 C 13 20.911 0.167 . 1 . . 1 A 2062 THR CG2 . 30007 1 162 . 1 1 17 17 THR H H 1 8.395 0.014 . 1 . . 1 A 2062 THR H . 30007 1 163 . 1 1 17 17 THR HA H 1 3.983 0.014 . 1 . . 1 A 2062 THR HA . 30007 1 164 . 1 1 17 17 THR HB H 1 4.255 0.009 . 1 . . 1 A 2062 THR HB . 30007 1 165 . 1 1 17 17 THR HG21 H 1 1.198 0.009 . 1 . . 1 A 2062 THR HG21 . 30007 1 166 . 1 1 17 17 THR HG22 H 1 1.198 0.009 . 1 . . 1 A 2062 THR HG22 . 30007 1 167 . 1 1 17 17 THR HG23 H 1 1.198 0.009 . 1 . . 1 A 2062 THR HG23 . 30007 1 168 . 1 1 17 17 THR N N 15 117.761 0.124 . 1 . . 1 A 2062 THR N . 30007 1 169 . 1 1 18 18 LEU C C 13 174.868 0 . 1 . . 1 A 2063 LEU C . 30007 1 170 . 1 1 18 18 LEU CA C 13 57.354 0.075 . 1 . . 1 A 2063 LEU CA . 30007 1 171 . 1 1 18 18 LEU CB C 13 42.533 0.152 . 1 . . 1 A 2063 LEU CB . 30007 1 172 . 1 1 18 18 LEU CD2 C 13 25.006 0 . 1 . . 1 A 2063 LEU CD2 . 30007 1 173 . 1 1 18 18 LEU H H 1 7.956 0.013 . 1 . . 1 A 2063 LEU H . 30007 1 174 . 1 1 18 18 LEU HA H 1 4.11 0.009 . 1 . . 1 A 2063 LEU HA . 30007 1 175 . 1 1 18 18 LEU HB2 H 1 1.996 0.01 . 2 . . 1 A 2063 LEU HB2 . 30007 1 176 . 1 1 18 18 LEU HB3 H 1 1.303 0.007 . 2 . . 1 A 2063 LEU HB3 . 30007 1 177 . 1 1 18 18 LEU HD11 H 1 0.785 0 . 1 . . 1 A 2063 LEU HD11 . 30007 1 178 . 1 1 18 18 LEU HD12 H 1 0.785 0 . 1 . . 1 A 2063 LEU HD12 . 30007 1 179 . 1 1 18 18 LEU HD13 H 1 0.785 0 . 1 . . 1 A 2063 LEU HD13 . 30007 1 180 . 1 1 18 18 LEU HG H 1 1.594 0 . 1 . . 1 A 2063 LEU HG . 30007 1 181 . 1 1 18 18 LEU N N 15 122.462 0.117 . 1 . . 1 A 2063 LEU N . 30007 1 182 . 1 1 19 19 ALA C C 13 173.422 0 . 1 . . 1 A 2064 ALA C . 30007 1 183 . 1 1 19 19 ALA CA C 13 55.196 0.112 . 1 . . 1 A 2064 ALA CA . 30007 1 184 . 1 1 19 19 ALA CB C 13 17.782 0.114 . 1 . . 1 A 2064 ALA CB . 30007 1 185 . 1 1 19 19 ALA H H 1 8.887 0.018 . 1 . . 1 A 2064 ALA H . 30007 1 186 . 1 1 19 19 ALA HA H 1 4.207 0.009 . 1 . . 1 A 2064 ALA HA . 30007 1 187 . 1 1 19 19 ALA HB1 H 1 1.561 0.015 . 1 . . 1 A 2064 ALA HB1 . 30007 1 188 . 1 1 19 19 ALA HB2 H 1 1.561 0.015 . 1 . . 1 A 2064 ALA HB2 . 30007 1 189 . 1 1 19 19 ALA HB3 H 1 1.561 0.015 . 1 . . 1 A 2064 ALA HB3 . 30007 1 190 . 1 1 19 19 ALA N N 15 123.793 0.133 . 1 . . 1 A 2064 ALA N . 30007 1 191 . 1 1 20 20 THR C C 13 173.536 0 . 1 . . 1 A 2065 THR C . 30007 1 192 . 1 1 20 20 THR CA C 13 66.321 0.157 . 1 . . 1 A 2065 THR CA . 30007 1 193 . 1 1 20 20 THR CB C 13 68.618 0.162 . 1 . . 1 A 2065 THR CB . 30007 1 194 . 1 1 20 20 THR CG2 C 13 21.383 0.043 . 1 . . 1 A 2065 THR CG2 . 30007 1 195 . 1 1 20 20 THR H H 1 8.29 0.018 . 1 . . 1 A 2065 THR H . 30007 1 196 . 1 1 20 20 THR HA H 1 4.014 0.009 . 1 . . 1 A 2065 THR HA . 30007 1 197 . 1 1 20 20 THR HB H 1 4.332 0.014 . 1 . . 1 A 2065 THR HB . 30007 1 198 . 1 1 20 20 THR HG21 H 1 1.321 0.016 . 1 . . 1 A 2065 THR HG21 . 30007 1 199 . 1 1 20 20 THR HG22 H 1 1.321 0.016 . 1 . . 1 A 2065 THR HG22 . 30007 1 200 . 1 1 20 20 THR HG23 H 1 1.321 0.016 . 1 . . 1 A 2065 THR HG23 . 30007 1 201 . 1 1 20 20 THR N N 15 116.945 0.122 . 1 . . 1 A 2065 THR N . 30007 1 202 . 1 1 21 21 LEU C C 13 176.914 0 . 1 . . 1 A 2066 LEU C . 30007 1 203 . 1 1 21 21 LEU CA C 13 58.453 0.091 . 1 . . 1 A 2066 LEU CA . 30007 1 204 . 1 1 21 21 LEU CB C 13 41.763 0.116 . 1 . . 1 A 2066 LEU CB . 30007 1 205 . 1 1 21 21 LEU CG C 13 26.647 0 . 1 . . 1 A 2066 LEU CG . 30007 1 206 . 1 1 21 21 LEU H H 1 7.789 0.013 . 1 . . 1 A 2066 LEU H . 30007 1 207 . 1 1 21 21 LEU HA H 1 4.221 0.012 . 1 . . 1 A 2066 LEU HA . 30007 1 208 . 1 1 21 21 LEU HB2 H 1 1.964 0.021 . 2 . . 1 A 2066 LEU HB2 . 30007 1 209 . 1 1 21 21 LEU HB3 H 1 1.781 0.015 . 2 . . 1 A 2066 LEU HB3 . 30007 1 210 . 1 1 21 21 LEU HD11 H 1 0.783 0.01 . 2 . . 1 A 2066 LEU HD11 . 30007 1 211 . 1 1 21 21 LEU HD12 H 1 0.783 0.01 . 2 . . 1 A 2066 LEU HD12 . 30007 1 212 . 1 1 21 21 LEU HD13 H 1 0.783 0.01 . 2 . . 1 A 2066 LEU HD13 . 30007 1 213 . 1 1 21 21 LEU HD21 H 1 0.792 0 . 2 . . 1 A 2066 LEU HD21 . 30007 1 214 . 1 1 21 21 LEU HD22 H 1 0.792 0 . 2 . . 1 A 2066 LEU HD22 . 30007 1 215 . 1 1 21 21 LEU HD23 H 1 0.792 0 . 2 . . 1 A 2066 LEU HD23 . 30007 1 216 . 1 1 21 21 LEU N N 15 124.381 0.107 . 1 . . 1 A 2066 LEU N . 30007 1 217 . 1 1 22 22 VAL C C 13 176.657 0 . 1 . . 1 A 2067 VAL C . 30007 1 218 . 1 1 22 22 VAL CA C 13 67.435 0.153 . 1 . . 1 A 2067 VAL CA . 30007 1 219 . 1 1 22 22 VAL CB C 13 31.452 0.166 . 1 . . 1 A 2067 VAL CB . 30007 1 220 . 1 1 22 22 VAL CG1 C 13 23.535 0 . 2 . . 1 A 2067 VAL CG1 . 30007 1 221 . 1 1 22 22 VAL CG2 C 13 20.959 0 . 2 . . 1 A 2067 VAL CG2 . 30007 1 222 . 1 1 22 22 VAL H H 1 8.815 0.017 . 1 . . 1 A 2067 VAL H . 30007 1 223 . 1 1 22 22 VAL HA H 1 3.526 0.011 . 1 . . 1 A 2067 VAL HA . 30007 1 224 . 1 1 22 22 VAL HB H 1 2.246 0.014 . 1 . . 1 A 2067 VAL HB . 30007 1 225 . 1 1 22 22 VAL HG11 H 1 1.078 0.015 . 2 . . 1 A 2067 VAL HG11 . 30007 1 226 . 1 1 22 22 VAL HG12 H 1 1.078 0.015 . 2 . . 1 A 2067 VAL HG12 . 30007 1 227 . 1 1 22 22 VAL HG13 H 1 1.078 0.015 . 2 . . 1 A 2067 VAL HG13 . 30007 1 228 . 1 1 22 22 VAL HG21 H 1 1.046 0 . 2 . . 1 A 2067 VAL HG21 . 30007 1 229 . 1 1 22 22 VAL HG22 H 1 1.046 0 . 2 . . 1 A 2067 VAL HG22 . 30007 1 230 . 1 1 22 22 VAL HG23 H 1 1.046 0 . 2 . . 1 A 2067 VAL HG23 . 30007 1 231 . 1 1 22 22 VAL N N 15 119.968 0.105 . 1 . . 1 A 2067 VAL N . 30007 1 232 . 1 1 23 23 ALA C C 13 176.56 0 . 1 . . 1 A 2068 ALA C . 30007 1 233 . 1 1 23 23 ALA CA C 13 56.015 0.133 . 1 . . 1 A 2068 ALA CA . 30007 1 234 . 1 1 23 23 ALA CB C 13 17.687 0.106 . 1 . . 1 A 2068 ALA CB . 30007 1 235 . 1 1 23 23 ALA H H 1 8.571 0.013 . 1 . . 1 A 2068 ALA H . 30007 1 236 . 1 1 23 23 ALA HA H 1 4.036 0.012 . 1 . . 1 A 2068 ALA HA . 30007 1 237 . 1 1 23 23 ALA HB1 H 1 1.647 0.011 . 1 . . 1 A 2068 ALA HB1 . 30007 1 238 . 1 1 23 23 ALA HB2 H 1 1.647 0.011 . 1 . . 1 A 2068 ALA HB2 . 30007 1 239 . 1 1 23 23 ALA HB3 H 1 1.647 0.011 . 1 . . 1 A 2068 ALA HB3 . 30007 1 240 . 1 1 23 23 ALA N N 15 125.535 0.101 . 1 . . 1 A 2068 ALA N . 30007 1 241 . 1 1 24 24 ALA C C 13 178.214 0 . 1 . . 1 A 2069 ALA C . 30007 1 242 . 1 1 24 24 ALA CA C 13 55.018 0.101 . 1 . . 1 A 2069 ALA CA . 30007 1 243 . 1 1 24 24 ALA CB C 13 17.594 0.173 . 1 . . 1 A 2069 ALA CB . 30007 1 244 . 1 1 24 24 ALA H H 1 8.668 0.012 . 1 . . 1 A 2069 ALA H . 30007 1 245 . 1 1 24 24 ALA HA H 1 4.078 0.009 . 1 . . 1 A 2069 ALA HA . 30007 1 246 . 1 1 24 24 ALA HB1 H 1 1.545 0.011 . 1 . . 1 A 2069 ALA HB1 . 30007 1 247 . 1 1 24 24 ALA HB2 H 1 1.545 0.011 . 1 . . 1 A 2069 ALA HB2 . 30007 1 248 . 1 1 24 24 ALA HB3 H 1 1.545 0.011 . 1 . . 1 A 2069 ALA HB3 . 30007 1 249 . 1 1 24 24 ALA N N 15 120.524 0.145 . 1 . . 1 A 2069 ALA N . 30007 1 250 . 1 1 25 25 ALA C C 13 176.806 0 . 1 . . 1 A 2070 ALA C . 30007 1 251 . 1 1 25 25 ALA CA C 13 54.935 0.069 . 1 . . 1 A 2070 ALA CA . 30007 1 252 . 1 1 25 25 ALA CB C 13 18.511 0.143 . 1 . . 1 A 2070 ALA CB . 30007 1 253 . 1 1 25 25 ALA H H 1 8.585 0.013 . 1 . . 1 A 2070 ALA H . 30007 1 254 . 1 1 25 25 ALA HA H 1 4.162 0.009 . 1 . . 1 A 2070 ALA HA . 30007 1 255 . 1 1 25 25 ALA HB1 H 1 1.432 0.015 . 1 . . 1 A 2070 ALA HB1 . 30007 1 256 . 1 1 25 25 ALA HB2 H 1 1.432 0.015 . 1 . . 1 A 2070 ALA HB2 . 30007 1 257 . 1 1 25 25 ALA HB3 H 1 1.432 0.015 . 1 . . 1 A 2070 ALA HB3 . 30007 1 258 . 1 1 25 25 ALA N N 15 121.627 0.15 . 1 . . 1 A 2070 ALA N . 30007 1 259 . 1 1 26 26 THR C C 13 172.814 0 . 1 . . 1 A 2071 THR C . 30007 1 260 . 1 1 26 26 THR CA C 13 67.803 0.065 . 1 . . 1 A 2071 THR CA . 30007 1 261 . 1 1 26 26 THR CB C 13 67.976 0 . 1 . . 1 A 2071 THR CB . 30007 1 262 . 1 1 26 26 THR CG2 C 13 21.56 0 . 1 . . 1 A 2071 THR CG2 . 30007 1 263 . 1 1 26 26 THR H H 1 8.207 0.012 . 1 . . 1 A 2071 THR H . 30007 1 264 . 1 1 26 26 THR HA H 1 3.692 0.007 . 1 . . 1 A 2071 THR HA . 30007 1 265 . 1 1 26 26 THR HB H 1 4.321 0.013 . 1 . . 1 A 2071 THR HB . 30007 1 266 . 1 1 26 26 THR N N 15 115.456 0.137 . 1 . . 1 A 2071 THR N . 30007 1 267 . 1 1 27 27 ALA C C 13 177.168 0 . 1 . . 1 A 2072 ALA C . 30007 1 268 . 1 1 27 27 ALA CA C 13 55.118 0.095 . 1 . . 1 A 2072 ALA CA . 30007 1 269 . 1 1 27 27 ALA CB C 13 17.84 0.135 . 1 . . 1 A 2072 ALA CB . 30007 1 270 . 1 1 27 27 ALA H H 1 8.396 0.014 . 1 . . 1 A 2072 ALA H . 30007 1 271 . 1 1 27 27 ALA HA H 1 3.704 0.009 . 1 . . 1 A 2072 ALA HA . 30007 1 272 . 1 1 27 27 ALA HB1 H 1 1.394 0.011 . 1 . . 1 A 2072 ALA HB1 . 30007 1 273 . 1 1 27 27 ALA HB2 H 1 1.394 0.011 . 1 . . 1 A 2072 ALA HB2 . 30007 1 274 . 1 1 27 27 ALA HB3 H 1 1.394 0.011 . 1 . . 1 A 2072 ALA HB3 . 30007 1 275 . 1 1 27 27 ALA N N 15 121.864 0.13 . 1 . . 1 A 2072 ALA N . 30007 1 276 . 1 1 28 28 THR C C 13 173.272 0 . 1 . . 1 A 2073 THR C . 30007 1 277 . 1 1 28 28 THR CA C 13 67.15 0.791 . 1 . . 1 A 2073 THR CA . 30007 1 278 . 1 1 28 28 THR CB C 13 68.464 0.007 . 1 . . 1 A 2073 THR CB . 30007 1 279 . 1 1 28 28 THR CG2 C 13 21.168 0 . 1 . . 1 A 2073 THR CG2 . 30007 1 280 . 1 1 28 28 THR H H 1 8.198 0.011 . 1 . . 1 A 2073 THR H . 30007 1 281 . 1 1 28 28 THR HA H 1 4.137 0.21 . 1 . . 1 A 2073 THR HA . 30007 1 282 . 1 1 28 28 THR HG21 H 1 1.251 0.014 . 1 . . 1 A 2073 THR HG21 . 30007 1 283 . 1 1 28 28 THR HG22 H 1 1.251 0.014 . 1 . . 1 A 2073 THR HG22 . 30007 1 284 . 1 1 28 28 THR HG23 H 1 1.251 0.014 . 1 . . 1 A 2073 THR HG23 . 30007 1 285 . 1 1 28 28 THR N N 15 114.63 0.137 . 1 . . 1 A 2073 THR N . 30007 1 286 . 1 1 29 29 VAL C C 13 175.028 0 . 1 . . 1 A 2074 VAL C . 30007 1 287 . 1 1 29 29 VAL CA C 13 64.834 0.082 . 1 . . 1 A 2074 VAL CA . 30007 1 288 . 1 1 29 29 VAL CB C 13 31.042 0.087 . 1 . . 1 A 2074 VAL CB . 30007 1 289 . 1 1 29 29 VAL CG1 C 13 20.955 0 . 1 . . 1 A 2074 VAL CG1 . 30007 1 290 . 1 1 29 29 VAL CG2 C 13 20.955 0 . 1 . . 1 A 2074 VAL CG2 . 30007 1 291 . 1 1 29 29 VAL H H 1 7.904 0.015 . 1 . . 1 A 2074 VAL H . 30007 1 292 . 1 1 29 29 VAL HA H 1 3.998 0.012 . 1 . . 1 A 2074 VAL HA . 30007 1 293 . 1 1 29 29 VAL HB H 1 2.192 0.014 . 1 . . 1 A 2074 VAL HB . 30007 1 294 . 1 1 29 29 VAL HG11 H 1 1.029 0.013 . 2 . . 1 A 2074 VAL HG11 . 30007 1 295 . 1 1 29 29 VAL HG12 H 1 1.029 0.013 . 2 . . 1 A 2074 VAL HG12 . 30007 1 296 . 1 1 29 29 VAL HG13 H 1 1.029 0.013 . 2 . . 1 A 2074 VAL HG13 . 30007 1 297 . 1 1 29 29 VAL HG21 H 1 0.982 0.015 . 2 . . 1 A 2074 VAL HG21 . 30007 1 298 . 1 1 29 29 VAL HG22 H 1 0.982 0.015 . 2 . . 1 A 2074 VAL HG22 . 30007 1 299 . 1 1 29 29 VAL HG23 H 1 0.982 0.015 . 2 . . 1 A 2074 VAL HG23 . 30007 1 300 . 1 1 29 29 VAL N N 15 118.784 0.162 . 1 . . 1 A 2074 VAL N . 30007 1 301 . 1 1 30 30 LEU C C 13 175.309 0 . 1 . . 1 A 2075 LEU C . 30007 1 302 . 1 1 30 30 LEU CA C 13 55.11 0.095 . 1 . . 1 A 2075 LEU CA . 30007 1 303 . 1 1 30 30 LEU CB C 13 42.527 0.184 . 1 . . 1 A 2075 LEU CB . 30007 1 304 . 1 1 30 30 LEU CD1 C 13 23.154 0.1 . 1 . . 1 A 2075 LEU CD1 . 30007 1 305 . 1 1 30 30 LEU CG C 13 26.185 0 . 1 . . 1 A 2075 LEU CG . 30007 1 306 . 1 1 30 30 LEU H H 1 7.684 0.013 . 1 . . 1 A 2075 LEU H . 30007 1 307 . 1 1 30 30 LEU HA H 1 4.301 0.006 . 1 . . 1 A 2075 LEU HA . 30007 1 308 . 1 1 30 30 LEU HB2 H 1 1.37 0.004 . 2 . . 1 A 2075 LEU HB2 . 30007 1 309 . 1 1 30 30 LEU HB3 H 1 1.575 0.011 . 2 . . 1 A 2075 LEU HB3 . 30007 1 310 . 1 1 30 30 LEU HD11 H 1 0.866 0.005 . 1 . . 1 A 2075 LEU HD11 . 30007 1 311 . 1 1 30 30 LEU HD12 H 1 0.866 0.005 . 1 . . 1 A 2075 LEU HD12 . 30007 1 312 . 1 1 30 30 LEU HD13 H 1 0.866 0.005 . 1 . . 1 A 2075 LEU HD13 . 30007 1 313 . 1 1 30 30 LEU N N 15 118.237 0.106 . 1 . . 1 A 2075 LEU N . 30007 1 314 . 1 1 31 31 GLY CA C 13 45.846 0.013 . 1 . . 1 A 2076 GLY CA . 30007 1 315 . 1 1 31 31 GLY H H 1 7.777 0.009 . 1 . . 1 A 2076 GLY H . 30007 1 316 . 1 1 31 31 GLY HA2 H 1 4.136 0.014 . 2 . . 1 A 2076 GLY HA2 . 30007 1 317 . 1 1 31 31 GLY HA3 H 1 3.77 0.011 . 2 . . 1 A 2076 GLY HA3 . 30007 1 318 . 1 1 31 31 GLY N N 15 107.447 0.106 . 1 . . 1 A 2076 GLY N . 30007 1 319 . 1 1 33 33 HIS C C 13 172.701 0 . 1 . . 1 A 2078 HIS C . 30007 1 320 . 1 1 33 33 HIS CA C 13 56.87 0.173 . 1 . . 1 A 2078 HIS CA . 30007 1 321 . 1 1 33 33 HIS CB C 13 31.015 0.246 . 1 . . 1 A 2078 HIS CB . 30007 1 322 . 1 1 33 33 HIS H H 1 8.707 0.018 . 1 . . 1 A 2078 HIS H . 30007 1 323 . 1 1 33 33 HIS HA H 1 4.527 0.008 . 1 . . 1 A 2078 HIS HA . 30007 1 324 . 1 1 33 33 HIS HB2 H 1 3.211 0 . 2 . . 1 A 2078 HIS HB2 . 30007 1 325 . 1 1 33 33 HIS HB3 H 1 3.115 0.036 . 2 . . 1 A 2078 HIS HB3 . 30007 1 326 . 1 1 33 33 HIS N N 15 120.832 0.085 . 1 . . 1 A 2078 HIS N . 30007 1 327 . 1 1 34 34 THR CA C 13 58.52 0.035 . 1 . . 1 A 2079 THR CA . 30007 1 328 . 1 1 34 34 THR CB C 13 69.161 0 . 1 . . 1 A 2079 THR CB . 30007 1 329 . 1 1 34 34 THR H H 1 8.734 0.027 . 1 . . 1 A 2079 THR H . 30007 1 330 . 1 1 34 34 THR HA H 1 4.368 0 . 1 . . 1 A 2079 THR HA . 30007 1 331 . 1 1 34 34 THR N N 15 113.426 0.131 . 1 . . 1 A 2079 THR N . 30007 1 332 . 1 1 35 35 PRO C C 13 175.436 0 . 1 . . 1 A 2080 PRO C . 30007 1 333 . 1 1 35 35 PRO CA C 13 64.548 0.073 . 1 . . 1 A 2080 PRO CA . 30007 1 334 . 1 1 35 35 PRO CB C 13 31.323 0.095 . 1 . . 1 A 2080 PRO CB . 30007 1 335 . 1 1 35 35 PRO CD C 13 50.515 0 . 1 . . 1 A 2080 PRO CD . 30007 1 336 . 1 1 35 35 PRO CG C 13 26.861 0 . 1 . . 1 A 2080 PRO CG . 30007 1 337 . 1 1 35 35 PRO HA H 1 4.267 0.019 . 1 . . 1 A 2080 PRO HA . 30007 1 338 . 1 1 35 35 PRO HB2 H 1 2.089 0.002 . 2 . . 1 A 2080 PRO HB2 . 30007 1 339 . 1 1 35 35 PRO HB3 H 1 2.087 0 . 2 . . 1 A 2080 PRO HB3 . 30007 1 340 . 1 1 36 36 GLU C C 13 174.443 0 . 1 . . 1 A 2081 GLU C . 30007 1 341 . 1 1 36 36 GLU CA C 13 58.487 0.121 . 1 . . 1 A 2081 GLU CA . 30007 1 342 . 1 1 36 36 GLU CB C 13 28.671 0.125 . 1 . . 1 A 2081 GLU CB . 30007 1 343 . 1 1 36 36 GLU CG C 13 36.083 0.148 . 1 . . 1 A 2081 GLU CG . 30007 1 344 . 1 1 36 36 GLU H H 1 9.068 0.021 . 1 . . 1 A 2081 GLU H . 30007 1 345 . 1 1 36 36 GLU HA H 1 4.128 0.005 . 1 . . 1 A 2081 GLU HA . 30007 1 346 . 1 1 36 36 GLU HB2 H 1 2.034 0.012 . 2 . . 1 A 2081 GLU HB2 . 30007 1 347 . 1 1 36 36 GLU HB3 H 1 2.02 0 . 2 . . 1 A 2081 GLU HB3 . 30007 1 348 . 1 1 36 36 GLU HG2 H 1 2.296 0.007 . 2 . . 1 A 2081 GLU HG2 . 30007 1 349 . 1 1 36 36 GLU HG3 H 1 2.289 0 . 2 . . 1 A 2081 GLU HG3 . 30007 1 350 . 1 1 36 36 GLU N N 15 117.797 0.14 . 1 . . 1 A 2081 GLU N . 30007 1 351 . 1 1 37 37 SER C C 13 171.579 0 . 1 . . 1 A 2082 SER C . 30007 1 352 . 1 1 37 37 SER CA C 13 58.663 0.172 . 1 . . 1 A 2082 SER CA . 30007 1 353 . 1 1 37 37 SER CB C 13 63.234 0.218 . 1 . . 1 A 2082 SER CB . 30007 1 354 . 1 1 37 37 SER H H 1 8.103 0.014 . 1 . . 1 A 2082 SER H . 30007 1 355 . 1 1 37 37 SER HA H 1 4.427 0.008 . 1 . . 1 A 2082 SER HA . 30007 1 356 . 1 1 37 37 SER HB2 H 1 3.966 0.021 . 2 . . 1 A 2082 SER HB2 . 30007 1 357 . 1 1 37 37 SER HB3 H 1 3.863 0.016 . 2 . . 1 A 2082 SER HB3 . 30007 1 358 . 1 1 37 37 SER N N 15 113.94 0.114 . 1 . . 1 A 2082 SER N . 30007 1 359 . 1 1 38 38 ILE C C 13 172.544 0 . 1 . . 1 A 2083 ILE C . 30007 1 360 . 1 1 38 38 ILE CA C 13 59.225 0.135 . 1 . . 1 A 2083 ILE CA . 30007 1 361 . 1 1 38 38 ILE CB C 13 36.177 0.115 . 1 . . 1 A 2083 ILE CB . 30007 1 362 . 1 1 38 38 ILE CD1 C 13 11.47 0.151 . 1 . . 1 A 2083 ILE CD1 . 30007 1 363 . 1 1 38 38 ILE CG1 C 13 26.528 0.124 . 1 . . 1 A 2083 ILE CG1 . 30007 1 364 . 1 1 38 38 ILE CG2 C 13 16.874 0.164 . 1 . . 1 A 2083 ILE CG2 . 30007 1 365 . 1 1 38 38 ILE H H 1 7.606 0.013 . 1 . . 1 A 2083 ILE H . 30007 1 366 . 1 1 38 38 ILE HA H 1 4.035 0.014 . 1 . . 1 A 2083 ILE HA . 30007 1 367 . 1 1 38 38 ILE HB H 1 2.178 0.007 . 1 . . 1 A 2083 ILE HB . 30007 1 368 . 1 1 38 38 ILE HD11 H 1 0.746 0.01 . 1 . . 1 A 2083 ILE HD11 . 30007 1 369 . 1 1 38 38 ILE HD12 H 1 0.746 0.01 . 1 . . 1 A 2083 ILE HD12 . 30007 1 370 . 1 1 38 38 ILE HD13 H 1 0.746 0.01 . 1 . . 1 A 2083 ILE HD13 . 30007 1 371 . 1 1 38 38 ILE HG12 H 1 1.691 0.017 . 2 . . 1 A 2083 ILE HG12 . 30007 1 372 . 1 1 38 38 ILE HG13 H 1 2.184 0.006 . 2 . . 1 A 2083 ILE HG13 . 30007 1 373 . 1 1 38 38 ILE HG21 H 1 0.775 0.011 . 1 . . 1 A 2083 ILE HG21 . 30007 1 374 . 1 1 38 38 ILE HG22 H 1 0.775 0.011 . 1 . . 1 A 2083 ILE HG22 . 30007 1 375 . 1 1 38 38 ILE HG23 H 1 0.775 0.011 . 1 . . 1 A 2083 ILE HG23 . 30007 1 376 . 1 1 38 38 ILE N N 15 122.959 0.13 . 1 . . 1 A 2083 ILE N . 30007 1 377 . 1 1 39 39 SER CA C 13 54.763 0.074 . 1 . . 1 A 2084 SER CA . 30007 1 378 . 1 1 39 39 SER CB C 13 62.503 0 . 1 . . 1 A 2084 SER CB . 30007 1 379 . 1 1 39 39 SER H H 1 8.334 0.016 . 1 . . 1 A 2084 SER H . 30007 1 380 . 1 1 39 39 SER HA H 1 3.968 0 . 1 . . 1 A 2084 SER HA . 30007 1 381 . 1 1 39 39 SER N N 15 125.309 0.119 . 1 . . 1 A 2084 SER N . 30007 1 382 . 1 1 40 40 PRO C C 13 173.122 0 . 1 . . 1 A 2085 PRO C . 30007 1 383 . 1 1 40 40 PRO CA C 13 64.447 0.067 . 1 . . 1 A 2085 PRO CA . 30007 1 384 . 1 1 40 40 PRO CB C 13 31.82 0.092 . 1 . . 1 A 2085 PRO CB . 30007 1 385 . 1 1 40 40 PRO CD C 13 50.788 0.11 . 1 . . 1 A 2085 PRO CD . 30007 1 386 . 1 1 40 40 PRO CG C 13 27.045 0.111 . 1 . . 1 A 2085 PRO CG . 30007 1 387 . 1 1 40 40 PRO HA H 1 4.222 0.014 . 1 . . 1 A 2085 PRO HA . 30007 1 388 . 1 1 40 40 PRO HB2 H 1 2.408 0.007 . 2 . . 1 A 2085 PRO HB2 . 30007 1 389 . 1 1 40 40 PRO HB3 H 1 1.957 0.015 . 2 . . 1 A 2085 PRO HB3 . 30007 1 390 . 1 1 40 40 PRO HD2 H 1 3.83 0.018 . 2 . . 1 A 2085 PRO HD2 . 30007 1 391 . 1 1 40 40 PRO HD3 H 1 4.055 0.015 . 2 . . 1 A 2085 PRO HD3 . 30007 1 392 . 1 1 40 40 PRO HG2 H 1 1.978 0 . 1 . . 1 A 2085 PRO HG2 . 30007 1 393 . 1 1 40 40 PRO HG3 H 1 1.978 0 . 1 . . 1 A 2085 PRO HG3 . 30007 1 394 . 1 1 41 41 ALA C C 13 175.154 0 . 1 . . 1 A 2086 ALA C . 30007 1 395 . 1 1 41 41 ALA CA C 13 51.142 0.08 . 1 . . 1 A 2086 ALA CA . 30007 1 396 . 1 1 41 41 ALA CB C 13 19.021 0.212 . 1 . . 1 A 2086 ALA CB . 30007 1 397 . 1 1 41 41 ALA H H 1 7.608 0.014 . 1 . . 1 A 2086 ALA H . 30007 1 398 . 1 1 41 41 ALA HA H 1 4.451 0.009 . 1 . . 1 A 2086 ALA HA . 30007 1 399 . 1 1 41 41 ALA HB1 H 1 1.314 0.016 . 1 . . 1 A 2086 ALA HB1 . 30007 1 400 . 1 1 41 41 ALA HB2 H 1 1.314 0.016 . 1 . . 1 A 2086 ALA HB2 . 30007 1 401 . 1 1 41 41 ALA HB3 H 1 1.314 0.016 . 1 . . 1 A 2086 ALA HB3 . 30007 1 402 . 1 1 41 41 ALA N N 15 115.458 0.102 . 1 . . 1 A 2086 ALA N . 30007 1 403 . 1 1 42 42 THR C C 13 169.434 0 . 1 . . 1 A 2087 THR C . 30007 1 404 . 1 1 42 42 THR CA C 13 63.009 0.095 . 1 . . 1 A 2087 THR CA . 30007 1 405 . 1 1 42 42 THR CB C 13 69.149 0.101 . 1 . . 1 A 2087 THR CB . 30007 1 406 . 1 1 42 42 THR CG2 C 13 22.148 0.133 . 1 . . 1 A 2087 THR CG2 . 30007 1 407 . 1 1 42 42 THR H H 1 7.558 0.016 . 1 . . 1 A 2087 THR H . 30007 1 408 . 1 1 42 42 THR HA H 1 4.004 0.016 . 1 . . 1 A 2087 THR HA . 30007 1 409 . 1 1 42 42 THR HB H 1 3.981 0.009 . 1 . . 1 A 2087 THR HB . 30007 1 410 . 1 1 42 42 THR HG21 H 1 1.358 0.014 . 1 . . 1 A 2087 THR HG21 . 30007 1 411 . 1 1 42 42 THR HG22 H 1 1.358 0.014 . 1 . . 1 A 2087 THR HG22 . 30007 1 412 . 1 1 42 42 THR HG23 H 1 1.358 0.014 . 1 . . 1 A 2087 THR HG23 . 30007 1 413 . 1 1 42 42 THR N N 15 118.786 0.14 . 1 . . 1 A 2087 THR N . 30007 1 414 . 1 1 43 43 ALA C C 13 177.237 0 . 1 . . 1 A 2088 ALA C . 30007 1 415 . 1 1 43 43 ALA CA C 13 51.52 0.063 . 1 . . 1 A 2088 ALA CA . 30007 1 416 . 1 1 43 43 ALA CB C 13 17.692 0.128 . 1 . . 1 A 2088 ALA CB . 30007 1 417 . 1 1 43 43 ALA H H 1 8.78 0.016 . 1 . . 1 A 2088 ALA H . 30007 1 418 . 1 1 43 43 ALA HA H 1 4.461 0.01 . 1 . . 1 A 2088 ALA HA . 30007 1 419 . 1 1 43 43 ALA HB1 H 1 1.533 0.011 . 1 . . 1 A 2088 ALA HB1 . 30007 1 420 . 1 1 43 43 ALA HB2 H 1 1.533 0.011 . 1 . . 1 A 2088 ALA HB2 . 30007 1 421 . 1 1 43 43 ALA HB3 H 1 1.533 0.011 . 1 . . 1 A 2088 ALA HB3 . 30007 1 422 . 1 1 43 43 ALA N N 15 126.227 0.109 . 1 . . 1 A 2088 ALA N . 30007 1 423 . 1 1 44 44 PHE C C 13 176.583 0 . 1 . . 1 A 2089 PHE C . 30007 1 424 . 1 1 44 44 PHE CA C 13 62.466 0.105 . 1 . . 1 A 2089 PHE CA . 30007 1 425 . 1 1 44 44 PHE CB C 13 37.918 0.14 . 1 . . 1 A 2089 PHE CB . 30007 1 426 . 1 1 44 44 PHE CE1 C 13 132.012 0.039 . 3 . . 1 A 2089 PHE CE1 . 30007 1 427 . 1 1 44 44 PHE CE2 C 13 132.012 0.039 . 3 . . 1 A 2089 PHE CE2 . 30007 1 428 . 1 1 44 44 PHE CZ C 13 128.366 0.071 . 1 . . 1 A 2089 PHE CZ . 30007 1 429 . 1 1 44 44 PHE H H 1 8.652 0.016 . 1 . . 1 A 2089 PHE H . 30007 1 430 . 1 1 44 44 PHE HA H 1 4.179 0.007 . 1 . . 1 A 2089 PHE HA . 30007 1 431 . 1 1 44 44 PHE HB2 H 1 2.842 0.023 . 2 . . 1 A 2089 PHE HB2 . 30007 1 432 . 1 1 44 44 PHE HB3 H 1 2.78 0.014 . 2 . . 1 A 2089 PHE HB3 . 30007 1 433 . 1 1 44 44 PHE HD1 H 1 7.157 0.003 . 3 . . 1 A 2089 PHE HD1 . 30007 1 434 . 1 1 44 44 PHE HD2 H 1 7.157 0.003 . 3 . . 1 A 2089 PHE HD2 . 30007 1 435 . 1 1 44 44 PHE HE1 H 1 7.632 0.009 . 3 . . 1 A 2089 PHE HE1 . 30007 1 436 . 1 1 44 44 PHE HE2 H 1 7.632 0.009 . 3 . . 1 A 2089 PHE HE2 . 30007 1 437 . 1 1 44 44 PHE HZ H 1 6.912 0.005 . 1 . . 1 A 2089 PHE HZ . 30007 1 438 . 1 1 44 44 PHE N N 15 121.628 0.121 . 1 . . 1 A 2089 PHE N . 30007 1 439 . 1 1 45 45 LYS C C 13 176.796 0 . 1 . . 1 A 2090 LYS C . 30007 1 440 . 1 1 45 45 LYS CA C 13 59.335 0.13 . 1 . . 1 A 2090 LYS CA . 30007 1 441 . 1 1 45 45 LYS CB C 13 32.197 0.15 . 1 . . 1 A 2090 LYS CB . 30007 1 442 . 1 1 45 45 LYS CD C 13 29.031 0 . 1 . . 1 A 2090 LYS CD . 30007 1 443 . 1 1 45 45 LYS CE C 13 41.852 0 . 1 . . 1 A 2090 LYS CE . 30007 1 444 . 1 1 45 45 LYS CG C 13 24.274 0.21 . 1 . . 1 A 2090 LYS CG . 30007 1 445 . 1 1 45 45 LYS H H 1 9.232 0.016 . 1 . . 1 A 2090 LYS H . 30007 1 446 . 1 1 45 45 LYS HA H 1 4.317 0.009 . 1 . . 1 A 2090 LYS HA . 30007 1 447 . 1 1 45 45 LYS HB2 H 1 1.772 0.013 . 2 . . 1 A 2090 LYS HB2 . 30007 1 448 . 1 1 45 45 LYS HB3 H 1 1.966 0.005 . 2 . . 1 A 2090 LYS HB3 . 30007 1 449 . 1 1 45 45 LYS HE2 H 1 3.019 0 . 1 . . 1 A 2090 LYS HE2 . 30007 1 450 . 1 1 45 45 LYS HE3 H 1 3.019 0 . 1 . . 1 A 2090 LYS HE3 . 30007 1 451 . 1 1 45 45 LYS HG3 H 1 1.494 0.018 . 1 . . 1 A 2090 LYS HG3 . 30007 1 452 . 1 1 45 45 LYS N N 15 118.118 0.102 . 1 . . 1 A 2090 LYS N . 30007 1 453 . 1 1 46 46 ASP C C 13 175.342 0 . 1 . . 1 A 2091 ASP C . 30007 1 454 . 1 1 46 46 ASP CA C 13 56.368 0.196 . 1 . . 1 A 2091 ASP CA . 30007 1 455 . 1 1 46 46 ASP CB C 13 40.149 0.114 . 1 . . 1 A 2091 ASP CB . 30007 1 456 . 1 1 46 46 ASP H H 1 7.211 0.013 . 1 . . 1 A 2091 ASP H . 30007 1 457 . 1 1 46 46 ASP HA H 1 4.626 0.01 . 1 . . 1 A 2091 ASP HA . 30007 1 458 . 1 1 46 46 ASP HB2 H 1 2.779 0 . 2 . . 1 A 2091 ASP HB2 . 30007 1 459 . 1 1 46 46 ASP HB3 H 1 2.84 0 . 2 . . 1 A 2091 ASP HB3 . 30007 1 460 . 1 1 46 46 ASP N N 15 119.956 0.104 . 1 . . 1 A 2091 ASP N . 30007 1 461 . 1 1 47 47 LEU C C 13 174.16 0 . 1 . . 1 A 2092 LEU C . 30007 1 462 . 1 1 47 47 LEU CA C 13 55.347 0.113 . 1 . . 1 A 2092 LEU CA . 30007 1 463 . 1 1 47 47 LEU CB C 13 42.474 0.094 . 1 . . 1 A 2092 LEU CB . 30007 1 464 . 1 1 47 47 LEU CD2 C 13 22.14 0 . 1 . . 1 A 2092 LEU CD2 . 30007 1 465 . 1 1 47 47 LEU CG C 13 25.465 0 . 1 . . 1 A 2092 LEU CG . 30007 1 466 . 1 1 47 47 LEU H H 1 7.819 0.013 . 1 . . 1 A 2092 LEU H . 30007 1 467 . 1 1 47 47 LEU HA H 1 4.381 0.014 . 1 . . 1 A 2092 LEU HA . 30007 1 468 . 1 1 47 47 LEU HB2 H 1 2.116 0.012 . 2 . . 1 A 2092 LEU HB2 . 30007 1 469 . 1 1 47 47 LEU HB3 H 1 1.62 0.01 . 2 . . 1 A 2092 LEU HB3 . 30007 1 470 . 1 1 47 47 LEU HD11 H 1 0.764 0.012 . 2 . . 1 A 2092 LEU HD11 . 30007 1 471 . 1 1 47 47 LEU HD12 H 1 0.764 0.012 . 2 . . 1 A 2092 LEU HD12 . 30007 1 472 . 1 1 47 47 LEU HD13 H 1 0.764 0.012 . 2 . . 1 A 2092 LEU HD13 . 30007 1 473 . 1 1 47 47 LEU HD21 H 1 0.865 0 . 2 . . 1 A 2092 LEU HD21 . 30007 1 474 . 1 1 47 47 LEU HD22 H 1 0.865 0 . 2 . . 1 A 2092 LEU HD22 . 30007 1 475 . 1 1 47 47 LEU HD23 H 1 0.865 0 . 2 . . 1 A 2092 LEU HD23 . 30007 1 476 . 1 1 47 47 LEU HG H 1 1.614 0.013 . 1 . . 1 A 2092 LEU HG . 30007 1 477 . 1 1 47 47 LEU N N 15 119.414 0.108 . 1 . . 1 A 2092 LEU N . 30007 1 478 . 1 1 48 48 GLY C C 13 172.562 0 . 1 . . 1 A 2093 GLY C . 30007 1 479 . 1 1 48 48 GLY CA C 13 44.66 0.093 . 1 . . 1 A 2093 GLY CA . 30007 1 480 . 1 1 48 48 GLY H H 1 7.508 0.015 . 1 . . 1 A 2093 GLY H . 30007 1 481 . 1 1 48 48 GLY HA2 H 1 3.761 0.008 . 2 . . 1 A 2093 GLY HA2 . 30007 1 482 . 1 1 48 48 GLY HA3 H 1 4.461 0.014 . 2 . . 1 A 2093 GLY HA3 . 30007 1 483 . 1 1 48 48 GLY N N 15 102.704 0.099 . 1 . . 1 A 2093 GLY N . 30007 1 484 . 1 1 49 49 ILE C C 13 171.72 0 . 1 . . 1 A 2094 ILE C . 30007 1 485 . 1 1 49 49 ILE CA C 13 59.489 0.127 . 1 . . 1 A 2094 ILE CA . 30007 1 486 . 1 1 49 49 ILE CB C 13 36.025 0.169 . 1 . . 1 A 2094 ILE CB . 30007 1 487 . 1 1 49 49 ILE CD1 C 13 10.906 0.094 . 1 . . 1 A 2094 ILE CD1 . 30007 1 488 . 1 1 49 49 ILE CG1 C 13 27.592 0.23 . 1 . . 1 A 2094 ILE CG1 . 30007 1 489 . 1 1 49 49 ILE CG2 C 13 17.081 0.182 . 1 . . 1 A 2094 ILE CG2 . 30007 1 490 . 1 1 49 49 ILE H H 1 7.586 0.016 . 1 . . 1 A 2094 ILE H . 30007 1 491 . 1 1 49 49 ILE HA H 1 4.022 0.01 . 1 . . 1 A 2094 ILE HA . 30007 1 492 . 1 1 49 49 ILE HB H 1 1.72 0.01 . 1 . . 1 A 2094 ILE HB . 30007 1 493 . 1 1 49 49 ILE HD11 H 1 0.755 0.021 . 1 . . 1 A 2094 ILE HD11 . 30007 1 494 . 1 1 49 49 ILE HD12 H 1 0.755 0.021 . 1 . . 1 A 2094 ILE HD12 . 30007 1 495 . 1 1 49 49 ILE HD13 H 1 0.755 0.021 . 1 . . 1 A 2094 ILE HD13 . 30007 1 496 . 1 1 49 49 ILE HG13 H 1 1.443 0.006 . 1 . . 1 A 2094 ILE HG13 . 30007 1 497 . 1 1 49 49 ILE HG21 H 1 0.707 0.017 . 1 . . 1 A 2094 ILE HG21 . 30007 1 498 . 1 1 49 49 ILE HG22 H 1 0.707 0.017 . 1 . . 1 A 2094 ILE HG22 . 30007 1 499 . 1 1 49 49 ILE HG23 H 1 0.707 0.017 . 1 . . 1 A 2094 ILE HG23 . 30007 1 500 . 1 1 49 49 ILE N N 15 122.323 0.178 . 1 . . 1 A 2094 ILE N . 30007 1 501 . 1 1 50 50 ASP C C 13 173.52 0 . 1 . . 1 A 2095 ASP C . 30007 1 502 . 1 1 50 50 ASP CA C 13 52.042 0.122 . 1 . . 1 A 2095 ASP CA . 30007 1 503 . 1 1 50 50 ASP CB C 13 42.355 0.066 . 1 . . 1 A 2095 ASP CB . 30007 1 504 . 1 1 50 50 ASP H H 1 8.053 0.019 . 1 . . 1 A 2095 ASP H . 30007 1 505 . 1 1 50 50 ASP HA H 1 4.875 0 . 1 . . 1 A 2095 ASP HA . 30007 1 506 . 1 1 50 50 ASP HB2 H 1 3.258 0.006 . 2 . . 1 A 2095 ASP HB2 . 30007 1 507 . 1 1 50 50 ASP HB3 H 1 2.685 0.013 . 2 . . 1 A 2095 ASP HB3 . 30007 1 508 . 1 1 50 50 ASP N N 15 128.76 0.116 . 1 . . 1 A 2095 ASP N . 30007 1 509 . 1 1 51 51 SER C C 13 173.872 0 . 1 . . 1 A 2096 SER C . 30007 1 510 . 1 1 51 51 SER CA C 13 62.111 0.219 . 1 . . 1 A 2096 SER CA . 30007 1 511 . 1 1 51 51 SER H H 1 8.687 0.017 . 1 . . 1 A 2096 SER H . 30007 1 512 . 1 1 51 51 SER HA H 1 3.997 0.011 . 1 . . 1 A 2096 SER HA . 30007 1 513 . 1 1 51 51 SER N N 15 112.699 0.157 . 1 . . 1 A 2096 SER N . 30007 1 514 . 1 1 52 52 LEU C C 13 178.287 0 . 1 . . 1 A 2097 LEU C . 30007 1 515 . 1 1 52 52 LEU CA C 13 57.713 0.136 . 1 . . 1 A 2097 LEU CA . 30007 1 516 . 1 1 52 52 LEU CB C 13 41.505 0.141 . 1 . . 1 A 2097 LEU CB . 30007 1 517 . 1 1 52 52 LEU CD1 C 13 23.457 0 . 1 . . 1 A 2097 LEU CD1 . 30007 1 518 . 1 1 52 52 LEU CD2 C 13 24.044 0 . 1 . . 1 A 2097 LEU CD2 . 30007 1 519 . 1 1 52 52 LEU CG C 13 26.749 0.076 . 1 . . 1 A 2097 LEU CG . 30007 1 520 . 1 1 52 52 LEU H H 1 8.281 0.014 . 1 . . 1 A 2097 LEU H . 30007 1 521 . 1 1 52 52 LEU HA H 1 4.417 0.007 . 1 . . 1 A 2097 LEU HA . 30007 1 522 . 1 1 52 52 LEU HB2 H 1 1.729 0.009 . 2 . . 1 A 2097 LEU HB2 . 30007 1 523 . 1 1 52 52 LEU HB3 H 1 2.014 0.017 . 2 . . 1 A 2097 LEU HB3 . 30007 1 524 . 1 1 52 52 LEU HD11 H 1 0.9 0 . 2 . . 1 A 2097 LEU HD11 . 30007 1 525 . 1 1 52 52 LEU HD12 H 1 0.9 0 . 2 . . 1 A 2097 LEU HD12 . 30007 1 526 . 1 1 52 52 LEU HD13 H 1 0.9 0 . 2 . . 1 A 2097 LEU HD13 . 30007 1 527 . 1 1 52 52 LEU HD21 H 1 0.985 0.024 . 2 . . 1 A 2097 LEU HD21 . 30007 1 528 . 1 1 52 52 LEU HD22 H 1 0.985 0.024 . 2 . . 1 A 2097 LEU HD22 . 30007 1 529 . 1 1 52 52 LEU HD23 H 1 0.985 0.024 . 2 . . 1 A 2097 LEU HD23 . 30007 1 530 . 1 1 52 52 LEU N N 15 122.472 0.154 . 1 . . 1 A 2097 LEU N . 30007 1 531 . 1 1 53 53 THR C C 13 175.187 0 . 1 . . 1 A 2098 THR C . 30007 1 532 . 1 1 53 53 THR CA C 13 64.765 0.088 . 1 . . 1 A 2098 THR CA . 30007 1 533 . 1 1 53 53 THR CB C 13 68.903 0.116 . 1 . . 1 A 2098 THR CB . 30007 1 534 . 1 1 53 53 THR CG2 C 13 23.649 0.131 . 1 . . 1 A 2098 THR CG2 . 30007 1 535 . 1 1 53 53 THR H H 1 8.905 0.018 . 1 . . 1 A 2098 THR H . 30007 1 536 . 1 1 53 53 THR HA H 1 4.082 0.013 . 1 . . 1 A 2098 THR HA . 30007 1 537 . 1 1 53 53 THR HB H 1 4.2 0.019 . 1 . . 1 A 2098 THR HB . 30007 1 538 . 1 1 53 53 THR HG21 H 1 1.39 0.01 . 1 . . 1 A 2098 THR HG21 . 30007 1 539 . 1 1 53 53 THR HG22 H 1 1.39 0.01 . 1 . . 1 A 2098 THR HG22 . 30007 1 540 . 1 1 53 53 THR HG23 H 1 1.39 0.01 . 1 . . 1 A 2098 THR HG23 . 30007 1 541 . 1 1 53 53 THR N N 15 114.364 0.097 . 1 . . 1 A 2098 THR N . 30007 1 542 . 1 1 54 54 ALA C C 13 178.095 0 . 1 . . 1 A 2099 ALA C . 30007 1 543 . 1 1 54 54 ALA CA C 13 55.343 0.102 . 1 . . 1 A 2099 ALA CA . 30007 1 544 . 1 1 54 54 ALA CB C 13 18.175 0.177 . 1 . . 1 A 2099 ALA CB . 30007 1 545 . 1 1 54 54 ALA H H 1 8.985 0.021 . 1 . . 1 A 2099 ALA H . 30007 1 546 . 1 1 54 54 ALA HA H 1 3.695 0.009 . 1 . . 1 A 2099 ALA HA . 30007 1 547 . 1 1 54 54 ALA HB1 H 1 1.239 0.013 . 1 . . 1 A 2099 ALA HB1 . 30007 1 548 . 1 1 54 54 ALA HB2 H 1 1.239 0.013 . 1 . . 1 A 2099 ALA HB2 . 30007 1 549 . 1 1 54 54 ALA HB3 H 1 1.239 0.013 . 1 . . 1 A 2099 ALA HB3 . 30007 1 550 . 1 1 54 54 ALA N N 15 124.612 0.101 . 1 . . 1 A 2099 ALA N . 30007 1 551 . 1 1 55 55 LEU C C 13 175.944 0 . 1 . . 1 A 2100 LEU C . 30007 1 552 . 1 1 55 55 LEU CA C 13 57.392 0.096 . 1 . . 1 A 2100 LEU CA . 30007 1 553 . 1 1 55 55 LEU CB C 13 41.163 0.089 . 1 . . 1 A 2100 LEU CB . 30007 1 554 . 1 1 55 55 LEU CD1 C 13 23.965 0.154 . 1 . . 1 A 2100 LEU CD1 . 30007 1 555 . 1 1 55 55 LEU CG C 13 26.563 0.11 . 1 . . 1 A 2100 LEU CG . 30007 1 556 . 1 1 55 55 LEU H H 1 7.251 0.015 . 1 . . 1 A 2100 LEU H . 30007 1 557 . 1 1 55 55 LEU HA H 1 4.143 0.018 . 1 . . 1 A 2100 LEU HA . 30007 1 558 . 1 1 55 55 LEU HB2 H 1 1.883 0.013 . 1 . . 1 A 2100 LEU HB2 . 30007 1 559 . 1 1 55 55 LEU HD11 H 1 1.008 0.012 . 2 . . 1 A 2100 LEU HD11 . 30007 1 560 . 1 1 55 55 LEU HD12 H 1 1.008 0.012 . 2 . . 1 A 2100 LEU HD12 . 30007 1 561 . 1 1 55 55 LEU HD13 H 1 1.008 0.012 . 2 . . 1 A 2100 LEU HD13 . 30007 1 562 . 1 1 55 55 LEU HD21 H 1 0.994 0 . 2 . . 1 A 2100 LEU HD21 . 30007 1 563 . 1 1 55 55 LEU HD22 H 1 0.994 0 . 2 . . 1 A 2100 LEU HD22 . 30007 1 564 . 1 1 55 55 LEU HD23 H 1 0.994 0 . 2 . . 1 A 2100 LEU HD23 . 30007 1 565 . 1 1 55 55 LEU N N 15 120.017 0.105 . 1 . . 1 A 2100 LEU N . 30007 1 566 . 1 1 56 56 GLU C C 13 177.193 0 . 1 . . 1 A 2101 GLU C . 30007 1 567 . 1 1 56 56 GLU CA C 13 58.963 0.077 . 1 . . 1 A 2101 GLU CA . 30007 1 568 . 1 1 56 56 GLU CB C 13 29.326 0.133 . 1 . . 1 A 2101 GLU CB . 30007 1 569 . 1 1 56 56 GLU CG C 13 35.369 0.105 . 1 . . 1 A 2101 GLU CG . 30007 1 570 . 1 1 56 56 GLU H H 1 7.563 0.013 . 1 . . 1 A 2101 GLU H . 30007 1 571 . 1 1 56 56 GLU HA H 1 4.143 0.012 . 1 . . 1 A 2101 GLU HA . 30007 1 572 . 1 1 56 56 GLU HB2 H 1 2.102 0.01 . 2 . . 1 A 2101 GLU HB2 . 30007 1 573 . 1 1 56 56 GLU HB3 H 1 2.275 0 . 2 . . 1 A 2101 GLU HB3 . 30007 1 574 . 1 1 56 56 GLU N N 15 119.516 0.113 . 1 . . 1 A 2101 GLU N . 30007 1 575 . 1 1 57 57 LEU C C 13 175.398 0 . 1 . . 1 A 2102 LEU C . 30007 1 576 . 1 1 57 57 LEU CA C 13 58.232 0.178 . 1 . . 1 A 2102 LEU CA . 30007 1 577 . 1 1 57 57 LEU CB C 13 41.745 0.129 . 1 . . 1 A 2102 LEU CB . 30007 1 578 . 1 1 57 57 LEU CD1 C 13 25.733 0.208 . 2 . . 1 A 2102 LEU CD1 . 30007 1 579 . 1 1 57 57 LEU CD2 C 13 23.486 0.072 . 2 . . 1 A 2102 LEU CD2 . 30007 1 580 . 1 1 57 57 LEU CG C 13 27.152 0.011 . 1 . . 1 A 2102 LEU CG . 30007 1 581 . 1 1 57 57 LEU H H 1 8.588 0.017 . 1 . . 1 A 2102 LEU H . 30007 1 582 . 1 1 57 57 LEU HA H 1 3.97 0.007 . 1 . . 1 A 2102 LEU HA . 30007 1 583 . 1 1 57 57 LEU HB2 H 1 1.463 0.014 . 2 . . 1 A 2102 LEU HB2 . 30007 1 584 . 1 1 57 57 LEU HB3 H 1 1.823 0.013 . 2 . . 1 A 2102 LEU HB3 . 30007 1 585 . 1 1 57 57 LEU HD11 H 1 0.475 0.017 . 2 . . 1 A 2102 LEU HD11 . 30007 1 586 . 1 1 57 57 LEU HD12 H 1 0.475 0.017 . 2 . . 1 A 2102 LEU HD12 . 30007 1 587 . 1 1 57 57 LEU HD13 H 1 0.475 0.017 . 2 . . 1 A 2102 LEU HD13 . 30007 1 588 . 1 1 57 57 LEU HD21 H 1 0.772 0.016 . 2 . . 1 A 2102 LEU HD21 . 30007 1 589 . 1 1 57 57 LEU HD22 H 1 0.772 0.016 . 2 . . 1 A 2102 LEU HD22 . 30007 1 590 . 1 1 57 57 LEU HD23 H 1 0.772 0.016 . 2 . . 1 A 2102 LEU HD23 . 30007 1 591 . 1 1 57 57 LEU HG H 1 1.289 0.013 . 1 . . 1 A 2102 LEU HG . 30007 1 592 . 1 1 57 57 LEU N N 15 122.236 0.112 . 1 . . 1 A 2102 LEU N . 30007 1 593 . 1 1 58 58 ARG C C 13 175.906 0 . 1 . . 1 A 2103 ARG C . 30007 1 594 . 1 1 58 58 ARG CA C 13 60.332 0.086 . 1 . . 1 A 2103 ARG CA . 30007 1 595 . 1 1 58 58 ARG CB C 13 28.6 0.078 . 1 . . 1 A 2103 ARG CB . 30007 1 596 . 1 1 58 58 ARG CD C 13 41.943 0 . 1 . . 1 A 2103 ARG CD . 30007 1 597 . 1 1 58 58 ARG CG C 13 25.689 0 . 1 . . 1 A 2103 ARG CG . 30007 1 598 . 1 1 58 58 ARG H H 1 7.8 0.012 . 1 . . 1 A 2103 ARG H . 30007 1 599 . 1 1 58 58 ARG HA H 1 3.699 0.012 . 1 . . 1 A 2103 ARG HA . 30007 1 600 . 1 1 58 58 ARG HB2 H 1 2.08 0.017 . 2 . . 1 A 2103 ARG HB2 . 30007 1 601 . 1 1 58 58 ARG HB3 H 1 2.104 0 . 2 . . 1 A 2103 ARG HB3 . 30007 1 602 . 1 1 58 58 ARG N N 15 119.536 0.117 . 1 . . 1 A 2103 ARG N . 30007 1 603 . 1 1 59 59 ASN C C 13 175.551 0 . 1 . . 1 A 2104 ASN C . 30007 1 604 . 1 1 59 59 ASN CA C 13 55.936 0.188 . 1 . . 1 A 2104 ASN CA . 30007 1 605 . 1 1 59 59 ASN CB C 13 36.906 0.141 . 1 . . 1 A 2104 ASN CB . 30007 1 606 . 1 1 59 59 ASN H H 1 8.893 0.014 . 1 . . 1 A 2104 ASN H . 30007 1 607 . 1 1 59 59 ASN HA H 1 4.388 0.016 . 1 . . 1 A 2104 ASN HA . 30007 1 608 . 1 1 59 59 ASN HB2 H 1 2.89 0.012 . 2 . . 1 A 2104 ASN HB2 . 30007 1 609 . 1 1 59 59 ASN HB3 H 1 3.083 0.011 . 2 . . 1 A 2104 ASN HB3 . 30007 1 610 . 1 1 59 59 ASN HD21 H 1 7.84 0.019 . 1 . . 1 A 2104 ASN HD21 . 30007 1 611 . 1 1 59 59 ASN HD22 H 1 6.956 0.017 . 1 . . 1 A 2104 ASN HD22 . 30007 1 612 . 1 1 59 59 ASN N N 15 120.028 0.113 . 1 . . 1 A 2104 ASN N . 30007 1 613 . 1 1 59 59 ASN ND2 N 15 111.758 0.096 . 1 . . 1 A 2104 ASN ND2 . 30007 1 614 . 1 1 60 60 THR C C 13 173.076 0 . 1 . . 1 A 2105 THR C . 30007 1 615 . 1 1 60 60 THR CA C 13 66.699 0.122 . 1 . . 1 A 2105 THR CA . 30007 1 616 . 1 1 60 60 THR CB C 13 68.732 0.135 . 1 . . 1 A 2105 THR CB . 30007 1 617 . 1 1 60 60 THR CG2 C 13 21.198 0 . 1 . . 1 A 2105 THR CG2 . 30007 1 618 . 1 1 60 60 THR H H 1 8.539 0.015 . 1 . . 1 A 2105 THR H . 30007 1 619 . 1 1 60 60 THR HA H 1 4.133 0.007 . 1 . . 1 A 2105 THR HA . 30007 1 620 . 1 1 60 60 THR HB H 1 4.305 0.017 . 1 . . 1 A 2105 THR HB . 30007 1 621 . 1 1 60 60 THR HG21 H 1 1.303 0.01 . 1 . . 1 A 2105 THR HG21 . 30007 1 622 . 1 1 60 60 THR HG22 H 1 1.303 0.01 . 1 . . 1 A 2105 THR HG22 . 30007 1 623 . 1 1 60 60 THR HG23 H 1 1.303 0.01 . 1 . . 1 A 2105 THR HG23 . 30007 1 624 . 1 1 60 60 THR N N 15 119.181 0.119 . 1 . . 1 A 2105 THR N . 30007 1 625 . 1 1 61 61 LEU C C 13 178.434 0 . 1 . . 1 A 2106 LEU C . 30007 1 626 . 1 1 61 61 LEU CA C 13 58.067 0.073 . 1 . . 1 A 2106 LEU CA . 30007 1 627 . 1 1 61 61 LEU CB C 13 41.412 0.071 . 1 . . 1 A 2106 LEU CB . 30007 1 628 . 1 1 61 61 LEU CD1 C 13 26.081 0.132 . 1 . . 1 A 2106 LEU CD1 . 30007 1 629 . 1 1 61 61 LEU H H 1 8.3 0.016 . 1 . . 1 A 2106 LEU H . 30007 1 630 . 1 1 61 61 LEU HA H 1 4.171 0.009 . 1 . . 1 A 2106 LEU HA . 30007 1 631 . 1 1 61 61 LEU HB2 H 1 1.984 0.025 . 2 . . 1 A 2106 LEU HB2 . 30007 1 632 . 1 1 61 61 LEU HB3 H 1 1.403 0.338 . 2 . . 1 A 2106 LEU HB3 . 30007 1 633 . 1 1 61 61 LEU HD11 H 1 0.489 0.003 . 1 . . 1 A 2106 LEU HD11 . 30007 1 634 . 1 1 61 61 LEU HD12 H 1 0.489 0.003 . 1 . . 1 A 2106 LEU HD12 . 30007 1 635 . 1 1 61 61 LEU HD13 H 1 0.489 0.003 . 1 . . 1 A 2106 LEU HD13 . 30007 1 636 . 1 1 61 61 LEU N N 15 121.622 0.123 . 1 . . 1 A 2106 LEU N . 30007 1 637 . 1 1 62 62 THR C C 13 174.491 0 . 1 . . 1 A 2107 THR C . 30007 1 638 . 1 1 62 62 THR CA C 13 67.257 0.133 . 1 . . 1 A 2107 THR CA . 30007 1 639 . 1 1 62 62 THR CB C 13 68.901 0.175 . 1 . . 1 A 2107 THR CB . 30007 1 640 . 1 1 62 62 THR CG2 C 13 21.076 0 . 1 . . 1 A 2107 THR CG2 . 30007 1 641 . 1 1 62 62 THR H H 1 9.171 0.015 . 1 . . 1 A 2107 THR H . 30007 1 642 . 1 1 62 62 THR HA H 1 4.188 0.011 . 1 . . 1 A 2107 THR HA . 30007 1 643 . 1 1 62 62 THR HB H 1 4.326 0.017 . 1 . . 1 A 2107 THR HB . 30007 1 644 . 1 1 62 62 THR HG21 H 1 1.306 0.015 . 1 . . 1 A 2107 THR HG21 . 30007 1 645 . 1 1 62 62 THR HG22 H 1 1.306 0.015 . 1 . . 1 A 2107 THR HG22 . 30007 1 646 . 1 1 62 62 THR HG23 H 1 1.306 0.015 . 1 . . 1 A 2107 THR HG23 . 30007 1 647 . 1 1 62 62 THR N N 15 123.337 0.131 . 1 . . 1 A 2107 THR N . 30007 1 648 . 1 1 63 63 HIS C C 13 175.19 0 . 1 . . 1 A 2108 HIS C . 30007 1 649 . 1 1 63 63 HIS CA C 13 59.644 0.074 . 1 . . 1 A 2108 HIS CA . 30007 1 650 . 1 1 63 63 HIS CB C 13 30.08 0.101 . 1 . . 1 A 2108 HIS CB . 30007 1 651 . 1 1 63 63 HIS H H 1 8.022 0.012 . 1 . . 1 A 2108 HIS H . 30007 1 652 . 1 1 63 63 HIS HA H 1 4.384 0.014 . 1 . . 1 A 2108 HIS HA . 30007 1 653 . 1 1 63 63 HIS HB2 H 1 3.309 0.015 . 2 . . 1 A 2108 HIS HB2 . 30007 1 654 . 1 1 63 63 HIS HB3 H 1 3.287 0 . 2 . . 1 A 2108 HIS HB3 . 30007 1 655 . 1 1 63 63 HIS HD2 H 1 7.009 0.004 . 1 . . 1 A 2108 HIS HD2 . 30007 1 656 . 1 1 63 63 HIS N N 15 122.247 0.129 . 1 . . 1 A 2108 HIS N . 30007 1 657 . 1 1 64 64 ASN C C 13 173.714 0 . 1 . . 1 A 2109 ASN C . 30007 1 658 . 1 1 64 64 ASN CA C 13 55.662 0.139 . 1 . . 1 A 2109 ASN CA . 30007 1 659 . 1 1 64 64 ASN CB C 13 40.496 0.273 . 1 . . 1 A 2109 ASN CB . 30007 1 660 . 1 1 64 64 ASN H H 1 8.222 0.015 . 1 . . 1 A 2109 ASN H . 30007 1 661 . 1 1 64 64 ASN HA H 1 4.607 0.009 . 1 . . 1 A 2109 ASN HA . 30007 1 662 . 1 1 64 64 ASN HB2 H 1 2.693 0.013 . 2 . . 1 A 2109 ASN HB2 . 30007 1 663 . 1 1 64 64 ASN HB3 H 1 2.834 0.016 . 2 . . 1 A 2109 ASN HB3 . 30007 1 664 . 1 1 64 64 ASN HD21 H 1 7.451 0.017 . 1 . . 1 A 2109 ASN HD21 . 30007 1 665 . 1 1 64 64 ASN HD22 H 1 7.36 0.012 . 1 . . 1 A 2109 ASN HD22 . 30007 1 666 . 1 1 64 64 ASN N N 15 110.653 0.018 . 1 . . 1 A 2109 ASN N . 30007 1 667 . 1 1 64 64 ASN ND2 N 15 110.721 0.079 . 1 . . 1 A 2109 ASN ND2 . 30007 1 668 . 1 1 65 65 THR C C 13 172.979 0 . 1 . . 1 A 2110 THR C . 30007 1 669 . 1 1 65 65 THR CA C 13 62.758 0.111 . 1 . . 1 A 2110 THR CA . 30007 1 670 . 1 1 65 65 THR CB C 13 72.178 0.124 . 1 . . 1 A 2110 THR CB . 30007 1 671 . 1 1 65 65 THR CG2 C 13 21.214 0.243 . 1 . . 1 A 2110 THR CG2 . 30007 1 672 . 1 1 65 65 THR H H 1 8.021 0.013 . 1 . . 1 A 2110 THR H . 30007 1 673 . 1 1 65 65 THR HA H 1 4.538 0.009 . 1 . . 1 A 2110 THR HA . 30007 1 674 . 1 1 65 65 THR HB H 1 4.158 0.013 . 1 . . 1 A 2110 THR HB . 30007 1 675 . 1 1 65 65 THR HG21 H 1 1.254 0.012 . 1 . . 1 A 2110 THR HG21 . 30007 1 676 . 1 1 65 65 THR HG22 H 1 1.254 0.012 . 1 . . 1 A 2110 THR HG22 . 30007 1 677 . 1 1 65 65 THR HG23 H 1 1.254 0.012 . 1 . . 1 A 2110 THR HG23 . 30007 1 678 . 1 1 65 65 THR N N 15 104.998 0.112 . 1 . . 1 A 2110 THR N . 30007 1 679 . 1 1 66 66 GLY C C 13 171.285 0 . 1 . . 1 A 2111 GLY C . 30007 1 680 . 1 1 66 66 GLY CA C 13 45.641 0.113 . 1 . . 1 A 2111 GLY CA . 30007 1 681 . 1 1 66 66 GLY H H 1 8.251 0.015 . 1 . . 1 A 2111 GLY H . 30007 1 682 . 1 1 66 66 GLY HA2 H 1 4.125 0.02 . 2 . . 1 A 2111 GLY HA2 . 30007 1 683 . 1 1 66 66 GLY HA3 H 1 3.795 0.007 . 2 . . 1 A 2111 GLY HA3 . 30007 1 684 . 1 1 66 66 GLY N N 15 111.272 0.122 . 1 . . 1 A 2111 GLY N . 30007 1 685 . 1 1 67 67 LEU C C 13 173.162 0 . 1 . . 1 A 2112 LEU C . 30007 1 686 . 1 1 67 67 LEU CA C 13 53.603 0.076 . 1 . . 1 A 2112 LEU CA . 30007 1 687 . 1 1 67 67 LEU CB C 13 43.677 0.117 . 1 . . 1 A 2112 LEU CB . 30007 1 688 . 1 1 67 67 LEU H H 1 7.674 0.014 . 1 . . 1 A 2112 LEU H . 30007 1 689 . 1 1 67 67 LEU HA H 1 4.286 0.014 . 1 . . 1 A 2112 LEU HA . 30007 1 690 . 1 1 67 67 LEU HB2 H 1 1.574 0.014 . 2 . . 1 A 2112 LEU HB2 . 30007 1 691 . 1 1 67 67 LEU HB3 H 1 1.061 0.012 . 2 . . 1 A 2112 LEU HB3 . 30007 1 692 . 1 1 67 67 LEU HD11 H 1 0.679 0 . 1 . . 1 A 2112 LEU HD11 . 30007 1 693 . 1 1 67 67 LEU HD12 H 1 0.679 0 . 1 . . 1 A 2112 LEU HD12 . 30007 1 694 . 1 1 67 67 LEU HD13 H 1 0.679 0 . 1 . . 1 A 2112 LEU HD13 . 30007 1 695 . 1 1 67 67 LEU N N 15 119.94 0.115 . 1 . . 1 A 2112 LEU N . 30007 1 696 . 1 1 68 68 ASP C C 13 173.205 0 . 1 . . 1 A 2113 ASP C . 30007 1 697 . 1 1 68 68 ASP CA C 13 53.666 0.121 . 1 . . 1 A 2113 ASP CA . 30007 1 698 . 1 1 68 68 ASP CB C 13 39.855 0.136 . 1 . . 1 A 2113 ASP CB . 30007 1 699 . 1 1 68 68 ASP H H 1 8.568 0.017 . 1 . . 1 A 2113 ASP H . 30007 1 700 . 1 1 68 68 ASP HA H 1 4.625 0.01 . 1 . . 1 A 2113 ASP HA . 30007 1 701 . 1 1 68 68 ASP HB2 H 1 2.677 0.008 . 2 . . 1 A 2113 ASP HB2 . 30007 1 702 . 1 1 68 68 ASP HB3 H 1 2.536 0.008 . 2 . . 1 A 2113 ASP HB3 . 30007 1 703 . 1 1 68 68 ASP N N 15 120.892 0.135 . 1 . . 1 A 2113 ASP N . 30007 1 704 . 1 1 69 69 LEU CA C 13 51.269 0.01 . 1 . . 1 A 2114 LEU CA . 30007 1 705 . 1 1 69 69 LEU CB C 13 42.935 0.011 . 1 . . 1 A 2114 LEU CB . 30007 1 706 . 1 1 69 69 LEU H H 1 7.901 0.016 . 1 . . 1 A 2114 LEU H . 30007 1 707 . 1 1 69 69 LEU HA H 1 4.926 0.003 . 1 . . 1 A 2114 LEU HA . 30007 1 708 . 1 1 69 69 LEU HB2 H 1 1.577 0.01 . 2 . . 1 A 2114 LEU HB2 . 30007 1 709 . 1 1 69 69 LEU HB3 H 1 1.433 0.01 . 2 . . 1 A 2114 LEU HB3 . 30007 1 710 . 1 1 69 69 LEU N N 15 125.835 0.106 . 1 . . 1 A 2114 LEU N . 30007 1 711 . 1 1 70 70 PRO CB C 13 31.527 0.147 . 1 . . 1 A 2115 PRO CB . 30007 1 712 . 1 1 70 70 PRO CD C 13 49.899 0 . 1 . . 1 A 2115 PRO CD . 30007 1 713 . 1 1 70 70 PRO CG C 13 27.011 0 . 1 . . 1 A 2115 PRO CG . 30007 1 714 . 1 1 70 70 PRO HB2 H 1 2.358 0.009 . 2 . . 1 A 2115 PRO HB2 . 30007 1 715 . 1 1 70 70 PRO HB3 H 1 2.045 0.012 . 2 . . 1 A 2115 PRO HB3 . 30007 1 716 . 1 1 71 71 PRO C C 13 175.073 0 . 1 . . 1 A 2116 PRO C . 30007 1 717 . 1 1 71 71 PRO CA C 13 64.724 0.109 . 1 . . 1 A 2116 PRO CA . 30007 1 718 . 1 1 71 71 PRO HA H 1 4.086 0.015 . 1 . . 1 A 2116 PRO HA . 30007 1 719 . 1 1 72 72 THR C C 13 171.679 0 . 1 . . 1 A 2117 THR C . 30007 1 720 . 1 1 72 72 THR CA C 13 61.416 0.165 . 1 . . 1 A 2117 THR CA . 30007 1 721 . 1 1 72 72 THR CB C 13 67.762 0.108 . 1 . . 1 A 2117 THR CB . 30007 1 722 . 1 1 72 72 THR CG2 C 13 21.295 0 . 1 . . 1 A 2117 THR CG2 . 30007 1 723 . 1 1 72 72 THR H H 1 6.829 0.016 . 1 . . 1 A 2117 THR H . 30007 1 724 . 1 1 72 72 THR HA H 1 4.247 0.008 . 1 . . 1 A 2117 THR HA . 30007 1 725 . 1 1 72 72 THR HB H 1 4.81 0 . 1 . . 1 A 2117 THR HB . 30007 1 726 . 1 1 72 72 THR HG21 H 1 1.188 0.017 . 1 . . 1 A 2117 THR HG21 . 30007 1 727 . 1 1 72 72 THR HG22 H 1 1.188 0.017 . 1 . . 1 A 2117 THR HG22 . 30007 1 728 . 1 1 72 72 THR HG23 H 1 1.188 0.017 . 1 . . 1 A 2117 THR HG23 . 30007 1 729 . 1 1 72 72 THR N N 15 105.197 0.124 . 1 . . 1 A 2117 THR N . 30007 1 730 . 1 1 73 73 LEU C C 13 173.379 0 . 1 . . 1 A 2118 LEU C . 30007 1 731 . 1 1 73 73 LEU CA C 13 59.533 0.102 . 1 . . 1 A 2118 LEU CA . 30007 1 732 . 1 1 73 73 LEU CB C 13 43.323 0.083 . 1 . . 1 A 2118 LEU CB . 30007 1 733 . 1 1 73 73 LEU H H 1 7.37 0.018 . 1 . . 1 A 2118 LEU H . 30007 1 734 . 1 1 73 73 LEU HA H 1 4.068 0.007 . 1 . . 1 A 2118 LEU HA . 30007 1 735 . 1 1 73 73 LEU HB2 H 1 1.51 0.062 . 1 . . 1 A 2118 LEU HB2 . 30007 1 736 . 1 1 73 73 LEU HD11 H 1 1.067 0.015 . 2 . . 1 A 2118 LEU HD11 . 30007 1 737 . 1 1 73 73 LEU HD12 H 1 1.067 0.015 . 2 . . 1 A 2118 LEU HD12 . 30007 1 738 . 1 1 73 73 LEU HD13 H 1 1.067 0.015 . 2 . . 1 A 2118 LEU HD13 . 30007 1 739 . 1 1 73 73 LEU HD21 H 1 0.895 0.017 . 2 . . 1 A 2118 LEU HD21 . 30007 1 740 . 1 1 73 73 LEU HD22 H 1 0.895 0.017 . 2 . . 1 A 2118 LEU HD22 . 30007 1 741 . 1 1 73 73 LEU HD23 H 1 0.895 0.017 . 2 . . 1 A 2118 LEU HD23 . 30007 1 742 . 1 1 73 73 LEU N N 15 123.08 0.112 . 1 . . 1 A 2118 LEU N . 30007 1 743 . 1 1 74 74 ILE C C 13 173.654 0 . 1 . . 1 A 2119 ILE C . 30007 1 744 . 1 1 74 74 ILE CA C 13 60.818 0.115 . 1 . . 1 A 2119 ILE CA . 30007 1 745 . 1 1 74 74 ILE CB C 13 35.796 0.139 . 1 . . 1 A 2119 ILE CB . 30007 1 746 . 1 1 74 74 ILE CD1 C 13 11.854 0.178 . 1 . . 1 A 2119 ILE CD1 . 30007 1 747 . 1 1 74 74 ILE CG1 C 13 28.714 0.146 . 1 . . 1 A 2119 ILE CG1 . 30007 1 748 . 1 1 74 74 ILE CG2 C 13 18.465 0.18 . 1 . . 1 A 2119 ILE CG2 . 30007 1 749 . 1 1 74 74 ILE H H 1 8.102 0.019 . 1 . . 1 A 2119 ILE H . 30007 1 750 . 1 1 74 74 ILE HA H 1 3.862 0.007 . 1 . . 1 A 2119 ILE HA . 30007 1 751 . 1 1 74 74 ILE HB H 1 1.58 0.01 . 1 . . 1 A 2119 ILE HB . 30007 1 752 . 1 1 74 74 ILE HD11 H 1 0.212 0.009 . 1 . . 1 A 2119 ILE HD11 . 30007 1 753 . 1 1 74 74 ILE HD12 H 1 0.212 0.009 . 1 . . 1 A 2119 ILE HD12 . 30007 1 754 . 1 1 74 74 ILE HD13 H 1 0.212 0.009 . 1 . . 1 A 2119 ILE HD13 . 30007 1 755 . 1 1 74 74 ILE HG12 H 1 0.721 0.009 . 2 . . 1 A 2119 ILE HG12 . 30007 1 756 . 1 1 74 74 ILE HG13 H 1 1.085 0.013 . 2 . . 1 A 2119 ILE HG13 . 30007 1 757 . 1 1 74 74 ILE HG21 H 1 0.27 0.011 . 1 . . 1 A 2119 ILE HG21 . 30007 1 758 . 1 1 74 74 ILE HG22 H 1 0.27 0.011 . 1 . . 1 A 2119 ILE HG22 . 30007 1 759 . 1 1 74 74 ILE HG23 H 1 0.27 0.011 . 1 . . 1 A 2119 ILE HG23 . 30007 1 760 . 1 1 74 74 ILE N N 15 112.921 0.141 . 1 . . 1 A 2119 ILE N . 30007 1 761 . 1 1 75 75 PHE C C 13 174.899 0 . 1 . . 1 A 2120 PHE C . 30007 1 762 . 1 1 75 75 PHE CA C 13 58.703 0.086 . 1 . . 1 A 2120 PHE CA . 30007 1 763 . 1 1 75 75 PHE CB C 13 38.034 0.097 . 1 . . 1 A 2120 PHE CB . 30007 1 764 . 1 1 75 75 PHE CD1 C 13 131.111 0.045 . 3 . . 1 A 2120 PHE CD1 . 30007 1 765 . 1 1 75 75 PHE CD2 C 13 131.111 0.045 . 3 . . 1 A 2120 PHE CD2 . 30007 1 766 . 1 1 75 75 PHE CE1 C 13 131.033 0.035 . 3 . . 1 A 2120 PHE CE1 . 30007 1 767 . 1 1 75 75 PHE CE2 C 13 131.033 0.035 . 3 . . 1 A 2120 PHE CE2 . 30007 1 768 . 1 1 75 75 PHE CZ C 13 129.276 0.162 . 1 . . 1 A 2120 PHE CZ . 30007 1 769 . 1 1 75 75 PHE H H 1 7.522 0.014 . 1 . . 1 A 2120 PHE H . 30007 1 770 . 1 1 75 75 PHE HA H 1 4.416 0.014 . 1 . . 1 A 2120 PHE HA . 30007 1 771 . 1 1 75 75 PHE HB2 H 1 3.21 0.012 . 2 . . 1 A 2120 PHE HB2 . 30007 1 772 . 1 1 75 75 PHE HB3 H 1 2.962 0.01 . 2 . . 1 A 2120 PHE HB3 . 30007 1 773 . 1 1 75 75 PHE HD1 H 1 7.181 0.011 . 3 . . 1 A 2120 PHE HD1 . 30007 1 774 . 1 1 75 75 PHE HD2 H 1 7.181 0.011 . 3 . . 1 A 2120 PHE HD2 . 30007 1 775 . 1 1 75 75 PHE HE1 H 1 7.294 0.006 . 3 . . 1 A 2120 PHE HE1 . 30007 1 776 . 1 1 75 75 PHE HE2 H 1 7.294 0.006 . 3 . . 1 A 2120 PHE HE2 . 30007 1 777 . 1 1 75 75 PHE HZ H 1 7.148 0.018 . 1 . . 1 A 2120 PHE HZ . 30007 1 778 . 1 1 75 75 PHE N N 15 119.478 0.124 . 1 . . 1 A 2120 PHE N . 30007 1 779 . 1 1 76 76 ASP C C 13 173.377 0 . 1 . . 1 A 2121 ASP C . 30007 1 780 . 1 1 76 76 ASP CA C 13 56.126 0.169 . 1 . . 1 A 2121 ASP CA . 30007 1 781 . 1 1 76 76 ASP CB C 13 40.748 0.146 . 1 . . 1 A 2121 ASP CB . 30007 1 782 . 1 1 76 76 ASP H H 1 7.991 0.017 . 1 . . 1 A 2121 ASP H . 30007 1 783 . 1 1 76 76 ASP HA H 1 4.061 0.011 . 1 . . 1 A 2121 ASP HA . 30007 1 784 . 1 1 76 76 ASP HB2 H 1 1.899 0.01 . 2 . . 1 A 2121 ASP HB2 . 30007 1 785 . 1 1 76 76 ASP HB3 H 1 2.329 0.002 . 2 . . 1 A 2121 ASP HB3 . 30007 1 786 . 1 1 76 76 ASP N N 15 119.385 0.141 . 1 . . 1 A 2121 ASP N . 30007 1 787 . 1 1 77 77 HIS CA C 13 52.524 0.041 . 1 . . 1 A 2122 HIS CA . 30007 1 788 . 1 1 77 77 HIS CB C 13 30.42 0 . 1 . . 1 A 2122 HIS CB . 30007 1 789 . 1 1 77 77 HIS CD2 C 13 120.933 0 . 1 . . 1 A 2122 HIS CD2 . 30007 1 790 . 1 1 77 77 HIS H H 1 7.325 0.017 . 1 . . 1 A 2122 HIS H . 30007 1 791 . 1 1 77 77 HIS HA H 1 5.002 0.005 . 1 . . 1 A 2122 HIS HA . 30007 1 792 . 1 1 77 77 HIS HB2 H 1 3.153 0.005 . 2 . . 1 A 2122 HIS HB2 . 30007 1 793 . 1 1 77 77 HIS HB3 H 1 2.364 0.014 . 2 . . 1 A 2122 HIS HB3 . 30007 1 794 . 1 1 77 77 HIS HD2 H 1 6.789 0.004 . 1 . . 1 A 2122 HIS HD2 . 30007 1 795 . 1 1 77 77 HIS N N 15 117.326 0.101 . 1 . . 1 A 2122 HIS N . 30007 1 796 . 1 1 78 78 PRO C C 13 175.064 0 . 1 . . 1 A 2123 PRO C . 30007 1 797 . 1 1 78 78 PRO CA C 13 65.833 0.128 . 1 . . 1 A 2123 PRO CA . 30007 1 798 . 1 1 78 78 PRO CB C 13 32.785 0.187 . 1 . . 1 A 2123 PRO CB . 30007 1 799 . 1 1 78 78 PRO CD C 13 50.246 0 . 1 . . 1 A 2123 PRO CD . 30007 1 800 . 1 1 78 78 PRO CG C 13 26.336 0 . 1 . . 1 A 2123 PRO CG . 30007 1 801 . 1 1 78 78 PRO HA H 1 5.172 0.007 . 1 . . 1 A 2123 PRO HA . 30007 1 802 . 1 1 78 78 PRO HB2 H 1 2.381 0.022 . 2 . . 1 A 2123 PRO HB2 . 30007 1 803 . 1 1 78 78 PRO HB3 H 1 2.345 0.011 . 2 . . 1 A 2123 PRO HB3 . 30007 1 804 . 1 1 78 78 PRO HG2 H 1 2.004 0.018 . 2 . . 1 A 2123 PRO HG2 . 30007 1 805 . 1 1 78 78 PRO HG3 H 1 2.064 0.014 . 2 . . 1 A 2123 PRO HG3 . 30007 1 806 . 1 1 79 79 THR CA C 13 57.504 0.02 . 1 . . 1 A 2124 THR CA . 30007 1 807 . 1 1 79 79 THR CB C 13 70.371 0.087 . 1 . . 1 A 2124 THR CB . 30007 1 808 . 1 1 79 79 THR CG2 C 13 21.197 0.051 . 1 . . 1 A 2124 THR CG2 . 30007 1 809 . 1 1 79 79 THR H H 1 7.456 0.011 . 1 . . 1 A 2124 THR H . 30007 1 810 . 1 1 79 79 THR HB H 1 4.444 0.012 . 1 . . 1 A 2124 THR HB . 30007 1 811 . 1 1 79 79 THR HG21 H 1 1.019 0.005 . 1 . . 1 A 2124 THR HG21 . 30007 1 812 . 1 1 79 79 THR HG22 H 1 1.019 0.005 . 1 . . 1 A 2124 THR HG22 . 30007 1 813 . 1 1 79 79 THR HG23 H 1 1.019 0.005 . 1 . . 1 A 2124 THR HG23 . 30007 1 814 . 1 1 79 79 THR N N 15 111.251 0.125 . 1 . . 1 A 2124 THR N . 30007 1 815 . 1 1 80 80 PRO C C 13 176.977 0 . 1 . . 1 A 2125 PRO C . 30007 1 816 . 1 1 80 80 PRO CA C 13 66.177 0.111 . 1 . . 1 A 2125 PRO CA . 30007 1 817 . 1 1 80 80 PRO CB C 13 31.434 0.123 . 1 . . 1 A 2125 PRO CB . 30007 1 818 . 1 1 80 80 PRO CG C 13 25.962 0 . 1 . . 1 A 2125 PRO CG . 30007 1 819 . 1 1 80 80 PRO HA H 1 4.122 0.013 . 1 . . 1 A 2125 PRO HA . 30007 1 820 . 1 1 80 80 PRO HB3 H 1 2.268 0.004 . 1 . . 1 A 2125 PRO HB3 . 30007 1 821 . 1 1 81 81 HIS C C 13 174.852 0 . 1 . . 1 A 2126 HIS C . 30007 1 822 . 1 1 81 81 HIS CA C 13 60.546 0.057 . 1 . . 1 A 2126 HIS CA . 30007 1 823 . 1 1 81 81 HIS CB C 13 31.249 0.182 . 1 . . 1 A 2126 HIS CB . 30007 1 824 . 1 1 81 81 HIS CE1 C 13 138.493 0.019 . 1 . . 1 A 2126 HIS CE1 . 30007 1 825 . 1 1 81 81 HIS H H 1 9.068 0.018 . 1 . . 1 A 2126 HIS H . 30007 1 826 . 1 1 81 81 HIS HA H 1 4.279 0.014 . 1 . . 1 A 2126 HIS HA . 30007 1 827 . 1 1 81 81 HIS HB2 H 1 2.906 0.02 . 2 . . 1 A 2126 HIS HB2 . 30007 1 828 . 1 1 81 81 HIS HB3 H 1 2.91 0 . 2 . . 1 A 2126 HIS HB3 . 30007 1 829 . 1 1 81 81 HIS HE1 H 1 7.741 0.005 . 1 . . 1 A 2126 HIS HE1 . 30007 1 830 . 1 1 81 81 HIS N N 15 119.432 0.12 . 1 . . 1 A 2126 HIS N . 30007 1 831 . 1 1 82 82 ALA C C 13 179.05 0 . 1 . . 1 A 2127 ALA C . 30007 1 832 . 1 1 82 82 ALA CA C 13 54.732 0.101 . 1 . . 1 A 2127 ALA CA . 30007 1 833 . 1 1 82 82 ALA CB C 13 18.006 0.142 . 1 . . 1 A 2127 ALA CB . 30007 1 834 . 1 1 82 82 ALA H H 1 8.435 0.013 . 1 . . 1 A 2127 ALA H . 30007 1 835 . 1 1 82 82 ALA HA H 1 4.146 0.006 . 1 . . 1 A 2127 ALA HA . 30007 1 836 . 1 1 82 82 ALA HB1 H 1 1.703 0.011 . 1 . . 1 A 2127 ALA HB1 . 30007 1 837 . 1 1 82 82 ALA HB2 H 1 1.703 0.011 . 1 . . 1 A 2127 ALA HB2 . 30007 1 838 . 1 1 82 82 ALA HB3 H 1 1.703 0.011 . 1 . . 1 A 2127 ALA HB3 . 30007 1 839 . 1 1 82 82 ALA N N 15 122.321 0.126 . 1 . . 1 A 2127 ALA N . 30007 1 840 . 1 1 83 83 LEU C C 13 175.454 0 . 1 . . 1 A 2128 LEU C . 30007 1 841 . 1 1 83 83 LEU CA C 13 57.771 0.105 . 1 . . 1 A 2128 LEU CA . 30007 1 842 . 1 1 83 83 LEU CB C 13 41.229 0.124 . 1 . . 1 A 2128 LEU CB . 30007 1 843 . 1 1 83 83 LEU CG C 13 27.039 0 . 1 . . 1 A 2128 LEU CG . 30007 1 844 . 1 1 83 83 LEU H H 1 8.895 0.012 . 1 . . 1 A 2128 LEU H . 30007 1 845 . 1 1 83 83 LEU HA H 1 4.079 0.015 . 1 . . 1 A 2128 LEU HA . 30007 1 846 . 1 1 83 83 LEU HB2 H 1 1.978 0 . 2 . . 1 A 2128 LEU HB2 . 30007 1 847 . 1 1 83 83 LEU HB3 H 1 2.232 0.014 . 2 . . 1 A 2128 LEU HB3 . 30007 1 848 . 1 1 83 83 LEU HD21 H 1 0.988 0.004 . 1 . . 1 A 2128 LEU HD21 . 30007 1 849 . 1 1 83 83 LEU HD22 H 1 0.988 0.004 . 1 . . 1 A 2128 LEU HD22 . 30007 1 850 . 1 1 83 83 LEU HD23 H 1 0.988 0.004 . 1 . . 1 A 2128 LEU HD23 . 30007 1 851 . 1 1 83 83 LEU N N 15 120.337 0.131 . 1 . . 1 A 2128 LEU N . 30007 1 852 . 1 1 84 84 THR CA C 13 68.502 0.12 . 1 . . 1 A 2129 THR CA . 30007 1 853 . 1 1 84 84 THR CG2 C 13 21.287 0.112 . 1 . . 1 A 2129 THR CG2 . 30007 1 854 . 1 1 84 84 THR H H 1 8.938 0.016 . 1 . . 1 A 2129 THR H . 30007 1 855 . 1 1 84 84 THR HA H 1 4.401 0.007 . 1 . . 1 A 2129 THR HA . 30007 1 856 . 1 1 84 84 THR HB H 1 3.548 0.007 . 1 . . 1 A 2129 THR HB . 30007 1 857 . 1 1 84 84 THR HG21 H 1 1.094 0.017 . 1 . . 1 A 2129 THR HG21 . 30007 1 858 . 1 1 84 84 THR HG22 H 1 1.094 0.017 . 1 . . 1 A 2129 THR HG22 . 30007 1 859 . 1 1 84 84 THR HG23 H 1 1.094 0.017 . 1 . . 1 A 2129 THR HG23 . 30007 1 860 . 1 1 84 84 THR N N 15 118.317 0.13 . 1 . . 1 A 2129 THR N . 30007 1 861 . 1 1 85 85 GLN C C 13 175.899 0 . 1 . . 1 A 2130 GLN C . 30007 1 862 . 1 1 85 85 GLN CA C 13 58.594 0.058 . 1 . . 1 A 2130 GLN CA . 30007 1 863 . 1 1 85 85 GLN CB C 13 27.897 0.103 . 1 . . 1 A 2130 GLN CB . 30007 1 864 . 1 1 85 85 GLN CG C 13 33.212 0 . 1 . . 1 A 2130 GLN CG . 30007 1 865 . 1 1 85 85 GLN HA H 1 3.997 0 . 1 . . 1 A 2130 GLN HA . 30007 1 866 . 1 1 85 85 GLN HB2 H 1 2.138 0 . 1 . . 1 A 2130 GLN HB2 . 30007 1 867 . 1 1 85 85 GLN HB3 H 1 2.138 0 . 1 . . 1 A 2130 GLN HB3 . 30007 1 868 . 1 1 85 85 GLN HE21 H 1 7.089 0 . 1 . . 1 A 2130 GLN HE21 . 30007 1 869 . 1 1 85 85 GLN HE22 H 1 7.056 0.012 . 1 . . 1 A 2130 GLN HE22 . 30007 1 870 . 1 1 85 85 GLN NE2 N 15 113.307 0.137 . 1 . . 1 A 2130 GLN NE2 . 30007 1 871 . 1 1 86 86 HIS C C 13 174.875 0 . 1 . . 1 A 2131 HIS C . 30007 1 872 . 1 1 86 86 HIS CA C 13 59.711 0.1 . 1 . . 1 A 2131 HIS CA . 30007 1 873 . 1 1 86 86 HIS CB C 13 28.412 0.124 . 1 . . 1 A 2131 HIS CB . 30007 1 874 . 1 1 86 86 HIS CD2 C 13 123.727 0.06 . 1 . . 1 A 2131 HIS CD2 . 30007 1 875 . 1 1 86 86 HIS H H 1 7.933 0.02 . 1 . . 1 A 2131 HIS H . 30007 1 876 . 1 1 86 86 HIS HA H 1 4.251 0.009 . 1 . . 1 A 2131 HIS HA . 30007 1 877 . 1 1 86 86 HIS HB2 H 1 2.528 0.014 . 2 . . 1 A 2131 HIS HB2 . 30007 1 878 . 1 1 86 86 HIS HB3 H 1 2.849 0.009 . 2 . . 1 A 2131 HIS HB3 . 30007 1 879 . 1 1 86 86 HIS HD2 H 1 6.055 0.005 . 1 . . 1 A 2131 HIS HD2 . 30007 1 880 . 1 1 86 86 HIS N N 15 119.661 0.13 . 1 . . 1 A 2131 HIS N . 30007 1 881 . 1 1 87 87 LEU C C 13 175.525 0 . 1 . . 1 A 2132 LEU C . 30007 1 882 . 1 1 87 87 LEU CA C 13 57.644 0.086 . 1 . . 1 A 2132 LEU CA . 30007 1 883 . 1 1 87 87 LEU CB C 13 41.675 0.092 . 1 . . 1 A 2132 LEU CB . 30007 1 884 . 1 1 87 87 LEU CD1 C 13 22.475 0.007 . 1 . . 1 A 2132 LEU CD1 . 30007 1 885 . 1 1 87 87 LEU H H 1 8.612 0.014 . 1 . . 1 A 2132 LEU H . 30007 1 886 . 1 1 87 87 LEU HA H 1 3.559 0.012 . 1 . . 1 A 2132 LEU HA . 30007 1 887 . 1 1 87 87 LEU HB2 H 1 1.205 0.014 . 2 . . 1 A 2132 LEU HB2 . 30007 1 888 . 1 1 87 87 LEU HB3 H 1 2.042 0.018 . 2 . . 1 A 2132 LEU HB3 . 30007 1 889 . 1 1 87 87 LEU HD11 H 1 0.795 0.019 . 1 . . 1 A 2132 LEU HD11 . 30007 1 890 . 1 1 87 87 LEU HD12 H 1 0.795 0.019 . 1 . . 1 A 2132 LEU HD12 . 30007 1 891 . 1 1 87 87 LEU HD13 H 1 0.795 0.019 . 1 . . 1 A 2132 LEU HD13 . 30007 1 892 . 1 1 87 87 LEU HG H 1 2.069 0.03 . 1 . . 1 A 2132 LEU HG . 30007 1 893 . 1 1 87 87 LEU N N 15 116.872 0.107 . 1 . . 1 A 2132 LEU N . 30007 1 894 . 1 1 88 88 HIS C C 13 176.118 0 . 1 . . 1 A 2133 HIS C . 30007 1 895 . 1 1 88 88 HIS CA C 13 60.643 0.094 . 1 . . 1 A 2133 HIS CA . 30007 1 896 . 1 1 88 88 HIS CB C 13 31.222 0.122 . 1 . . 1 A 2133 HIS CB . 30007 1 897 . 1 1 88 88 HIS CD2 C 13 116.104 0.191 . 1 . . 1 A 2133 HIS CD2 . 30007 1 898 . 1 1 88 88 HIS H H 1 8.557 0.012 . 1 . . 1 A 2133 HIS H . 30007 1 899 . 1 1 88 88 HIS HA H 1 3.868 0.009 . 1 . . 1 A 2133 HIS HA . 30007 1 900 . 1 1 88 88 HIS HB2 H 1 2.976 0.006 . 2 . . 1 A 2133 HIS HB2 . 30007 1 901 . 1 1 88 88 HIS HB3 H 1 3.281 0.007 . 2 . . 1 A 2133 HIS HB3 . 30007 1 902 . 1 1 88 88 HIS HD2 H 1 6.654 0.01 . 1 . . 1 A 2133 HIS HD2 . 30007 1 903 . 1 1 88 88 HIS HE1 H 1 7.733 0.005 . 1 . . 1 A 2133 HIS HE1 . 30007 1 904 . 1 1 88 88 HIS N N 15 118.436 0.133 . 1 . . 1 A 2133 HIS N . 30007 1 905 . 1 1 89 89 THR C C 13 173.858 0 . 1 . . 1 A 2134 THR C . 30007 1 906 . 1 1 89 89 THR CA C 13 66.452 0.145 . 1 . . 1 A 2134 THR CA . 30007 1 907 . 1 1 89 89 THR CB C 13 68.392 0.117 . 1 . . 1 A 2134 THR CB . 30007 1 908 . 1 1 89 89 THR CG2 C 13 21.168 0 . 1 . . 1 A 2134 THR CG2 . 30007 1 909 . 1 1 89 89 THR H H 1 8.268 0.015 . 1 . . 1 A 2134 THR H . 30007 1 910 . 1 1 89 89 THR HB H 1 4.258 0.001 . 1 . . 1 A 2134 THR HB . 30007 1 911 . 1 1 89 89 THR HG21 H 1 1.204 0.02 . 1 . . 1 A 2134 THR HG21 . 30007 1 912 . 1 1 89 89 THR HG22 H 1 1.204 0.02 . 1 . . 1 A 2134 THR HG22 . 30007 1 913 . 1 1 89 89 THR HG23 H 1 1.204 0.02 . 1 . . 1 A 2134 THR HG23 . 30007 1 914 . 1 1 89 89 THR N N 15 116.915 0.143 . 1 . . 1 A 2134 THR N . 30007 1 915 . 1 1 90 90 ARG C C 13 176.517 0 . 1 . . 1 A 2135 ARG C . 30007 1 916 . 1 1 90 90 ARG CA C 13 57.781 0.211 . 1 . . 1 A 2135 ARG CA . 30007 1 917 . 1 1 90 90 ARG CB C 13 29.865 0.227 . 1 . . 1 A 2135 ARG CB . 30007 1 918 . 1 1 90 90 ARG CD C 13 41.827 0.009 . 1 . . 1 A 2135 ARG CD . 30007 1 919 . 1 1 90 90 ARG CG C 13 25.759 0 . 1 . . 1 A 2135 ARG CG . 30007 1 920 . 1 1 90 90 ARG H H 1 7.906 0.014 . 1 . . 1 A 2135 ARG H . 30007 1 921 . 1 1 90 90 ARG HA H 1 3.951 0.022 . 1 . . 1 A 2135 ARG HA . 30007 1 922 . 1 1 90 90 ARG HB2 H 1 1.663 0.02 . 2 . . 1 A 2135 ARG HB2 . 30007 1 923 . 1 1 90 90 ARG HB3 H 1 1.633 0.003 . 2 . . 1 A 2135 ARG HB3 . 30007 1 924 . 1 1 90 90 ARG HD2 H 1 2.928 0 . 1 . . 1 A 2135 ARG HD2 . 30007 1 925 . 1 1 90 90 ARG HD3 H 1 2.928 0 . 1 . . 1 A 2135 ARG HD3 . 30007 1 926 . 1 1 90 90 ARG HG2 H 1 1.162 0 . 1 . . 1 A 2135 ARG HG2 . 30007 1 927 . 1 1 90 90 ARG HG3 H 1 1.162 0 . 1 . . 1 A 2135 ARG HG3 . 30007 1 928 . 1 1 90 90 ARG N N 15 119.081 0.15 . 1 . . 1 A 2135 ARG N . 30007 1 929 . 1 1 91 91 LEU C C 13 175.745 0 . 1 . . 1 A 2136 LEU C . 30007 1 930 . 1 1 91 91 LEU CA C 13 56.34 0.069 . 1 . . 1 A 2136 LEU CA . 30007 1 931 . 1 1 91 91 LEU CB C 13 42.483 0.098 . 1 . . 1 A 2136 LEU CB . 30007 1 932 . 1 1 91 91 LEU CG C 13 26.232 0 . 1 . . 1 A 2136 LEU CG . 30007 1 933 . 1 1 91 91 LEU H H 1 8.144 0.018 . 1 . . 1 A 2136 LEU H . 30007 1 934 . 1 1 91 91 LEU HA H 1 4.233 0.009 . 1 . . 1 A 2136 LEU HA . 30007 1 935 . 1 1 91 91 LEU HB2 H 1 1.566 0.015 . 2 . . 1 A 2136 LEU HB2 . 30007 1 936 . 1 1 91 91 LEU HB3 H 1 1.768 0.01 . 2 . . 1 A 2136 LEU HB3 . 30007 1 937 . 1 1 91 91 LEU HD11 H 1 0.939 0.01 . 1 . . 1 A 2136 LEU HD11 . 30007 1 938 . 1 1 91 91 LEU HD12 H 1 0.939 0.01 . 1 . . 1 A 2136 LEU HD12 . 30007 1 939 . 1 1 91 91 LEU HD13 H 1 0.939 0.01 . 1 . . 1 A 2136 LEU HD13 . 30007 1 940 . 1 1 91 91 LEU N N 15 117.441 0.115 . 1 . . 1 A 2136 LEU N . 30007 1 941 . 1 1 92 92 THR C C 13 172.369 0 . 1 . . 1 A 2137 THR C . 30007 1 942 . 1 1 92 92 THR CA C 13 62.329 0.143 . 1 . . 1 A 2137 THR CA . 30007 1 943 . 1 1 92 92 THR CB C 13 69.71 0.13 . 1 . . 1 A 2137 THR CB . 30007 1 944 . 1 1 92 92 THR CG2 C 13 20.823 0.129 . 1 . . 1 A 2137 THR CG2 . 30007 1 945 . 1 1 92 92 THR H H 1 7.596 0.014 . 1 . . 1 A 2137 THR H . 30007 1 946 . 1 1 92 92 THR HA H 1 4.374 0.009 . 1 . . 1 A 2137 THR HA . 30007 1 947 . 1 1 92 92 THR HB H 1 4.238 0.011 . 1 . . 1 A 2137 THR HB . 30007 1 948 . 1 1 92 92 THR HG21 H 1 0.995 0.012 . 1 . . 1 A 2137 THR HG21 . 30007 1 949 . 1 1 92 92 THR HG22 H 1 0.995 0.012 . 1 . . 1 A 2137 THR HG22 . 30007 1 950 . 1 1 92 92 THR HG23 H 1 0.995 0.012 . 1 . . 1 A 2137 THR HG23 . 30007 1 951 . 1 1 92 92 THR N N 15 109.566 0.105 . 1 . . 1 A 2137 THR N . 30007 1 952 . 1 1 93 93 GLN CA C 13 55.771 0.15 . 1 . . 1 A 2138 GLN CA . 30007 1 953 . 1 1 93 93 GLN CB C 13 28.861 0.178 . 1 . . 1 A 2138 GLN CB . 30007 1 954 . 1 1 93 93 GLN CG C 13 33.196 0.06 . 1 . . 1 A 2138 GLN CG . 30007 1 955 . 1 1 93 93 GLN H H 1 7.749 0.012 . 1 . . 1 A 2138 GLN H . 30007 1 956 . 1 1 93 93 GLN HA H 1 4.394 0.01 . 1 . . 1 A 2138 GLN HA . 30007 1 957 . 1 1 93 93 GLN HB2 H 1 2.081 0.01 . 2 . . 1 A 2138 GLN HB2 . 30007 1 958 . 1 1 93 93 GLN HB3 H 1 2.105 0.019 . 2 . . 1 A 2138 GLN HB3 . 30007 1 959 . 1 1 93 93 GLN HE21 H 1 7.582 0.016 . 1 . . 1 A 2138 GLN HE21 . 30007 1 960 . 1 1 93 93 GLN HE22 H 1 6.894 0.015 . 1 . . 1 A 2138 GLN HE22 . 30007 1 961 . 1 1 93 93 GLN HG2 H 1 2.396 0.006 . 2 . . 1 A 2138 GLN HG2 . 30007 1 962 . 1 1 93 93 GLN HG3 H 1 2.406 0.01 . 2 . . 1 A 2138 GLN HG3 . 30007 1 963 . 1 1 93 93 GLN N N 15 121.334 0.109 . 1 . . 1 A 2138 GLN N . 30007 1 964 . 1 1 93 93 GLN NE2 N 15 112.624 0.102 . 1 . . 1 A 2138 GLN NE2 . 30007 1 965 . 1 1 94 94 SER C C 13 170.989 0 . 1 . . 1 A 2139 SER C . 30007 1 966 . 1 1 94 94 SER CA C 13 58.268 0.093 . 1 . . 1 A 2139 SER CA . 30007 1 967 . 1 1 94 94 SER CB C 13 63.483 0.191 . 1 . . 1 A 2139 SER CB . 30007 1 968 . 1 1 94 94 SER H H 1 8.312 0.005 . 1 . . 1 A 2139 SER H . 30007 1 969 . 1 1 94 94 SER HA H 1 4.437 0.01 . 1 . . 1 A 2139 SER HA . 30007 1 970 . 1 1 94 94 SER HB2 H 1 3.846 0.004 . 2 . . 1 A 2139 SER HB2 . 30007 1 971 . 1 1 94 94 SER HB3 H 1 3.857 0.011 . 2 . . 1 A 2139 SER HB3 . 30007 1 972 . 1 1 94 94 SER N N 15 117.148 0.021 . 1 . . 1 A 2139 SER N . 30007 1 973 . 1 1 95 95 HIS CA C 13 57.448 0.046 . 1 . . 1 A 2140 HIS CA . 30007 1 974 . 1 1 95 95 HIS CB C 13 30.845 0.067 . 1 . . 1 A 2140 HIS CB . 30007 1 975 . 1 1 95 95 HIS CD2 C 13 119.869 0.1 . 1 . . 1 A 2140 HIS CD2 . 30007 1 976 . 1 1 95 95 HIS CE1 C 13 137.307 0.043 . 1 . . 1 A 2140 HIS CE1 . 30007 1 977 . 1 1 95 95 HIS H H 1 8.02 0.02 . 1 . . 1 A 2140 HIS H . 30007 1 978 . 1 1 95 95 HIS HA H 1 4.468 0.008 . 1 . . 1 A 2140 HIS HA . 30007 1 979 . 1 1 95 95 HIS HB2 H 1 3.061 0.008 . 2 . . 1 A 2140 HIS HB2 . 30007 1 980 . 1 1 95 95 HIS HB3 H 1 3.18 0.013 . 2 . . 1 A 2140 HIS HB3 . 30007 1 981 . 1 1 95 95 HIS HD2 H 1 7.041 0.009 . 1 . . 1 A 2140 HIS HD2 . 30007 1 982 . 1 1 95 95 HIS HE1 H 1 7.989 0.025 . 1 . . 1 A 2140 HIS HE1 . 30007 1 983 . 1 1 95 95 HIS N N 15 126.341 0.133 . 1 . . 1 A 2140 HIS N . 30007 1 stop_ save_