data_31140 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31140 _Entry.Title ; Tetrahymena thermophila MLP1 RRM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-01-21 _Entry.Accession_date 2024-01-21 _Entry.Last_release_date 2024-01-26 _Entry.Original_release_date 2024-01-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 L. Donaldson L. W. . . 31140 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'La-motif protein' . 31140 'RNA BINDING PROTEIN' . 31140 'RNA processing' . 31140 'snRNP binding protein' . 31140 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31140 spectral_peak_list 1 31140 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 518 31140 '15N chemical shifts' 137 31140 '1H chemical shifts' 784 31140 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 . . 2024-08-27 . original BMRB . 31140 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8VRC 'BMRB Entry Tracking System' 31140 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31140 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR structure of the second RNA binding domain from Tetrahymena thermophila Mlp1 ; _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 L. Donaldson L. W. . . 31140 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31140 _Assembly.ID 1 _Assembly.Name 'LA motif RNA-binding domain protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31140 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31140 _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 ; GSHMASMDPAEAAEKEAREA EKKELINFYETFQPIIFSTA CEQEGVANWRNITEALLKQH NVHAPYCRFGKLEGNFALNK DKTSQEVIDQLVQDGLQFGE SKVTIKVSEGEALSKFWELH GRHYNGVMELKKKEVNQT ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15708.631 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 31140 1 2 . SER . 31140 1 3 . HIS . 31140 1 4 . MET . 31140 1 5 . ALA . 31140 1 6 . SER . 31140 1 7 . MET . 31140 1 8 . ASP . 31140 1 9 . PRO . 31140 1 10 . ALA . 31140 1 11 . GLU . 31140 1 12 . ALA . 31140 1 13 . ALA . 31140 1 14 . GLU . 31140 1 15 . LYS . 31140 1 16 . GLU . 31140 1 17 . ALA . 31140 1 18 . ARG . 31140 1 19 . GLU . 31140 1 20 . ALA . 31140 1 21 . GLU . 31140 1 22 . LYS . 31140 1 23 . LYS . 31140 1 24 . GLU . 31140 1 25 . LEU . 31140 1 26 . ILE . 31140 1 27 . ASN . 31140 1 28 . PHE . 31140 1 29 . TYR . 31140 1 30 . GLU . 31140 1 31 . THR . 31140 1 32 . PHE . 31140 1 33 . GLN . 31140 1 34 . PRO . 31140 1 35 . ILE . 31140 1 36 . ILE . 31140 1 37 . PHE . 31140 1 38 . SER . 31140 1 39 . THR . 31140 1 40 . ALA . 31140 1 41 . CYS . 31140 1 42 . GLU . 31140 1 43 . GLN . 31140 1 44 . GLU . 31140 1 45 . GLY . 31140 1 46 . VAL . 31140 1 47 . ALA . 31140 1 48 . ASN . 31140 1 49 . TRP . 31140 1 50 . ARG . 31140 1 51 . ASN . 31140 1 52 . ILE . 31140 1 53 . THR . 31140 1 54 . GLU . 31140 1 55 . ALA . 31140 1 56 . LEU . 31140 1 57 . LEU . 31140 1 58 . LYS . 31140 1 59 . GLN . 31140 1 60 . HIS . 31140 1 61 . ASN . 31140 1 62 . VAL . 31140 1 63 . HIS . 31140 1 64 . ALA . 31140 1 65 . PRO . 31140 1 66 . TYR . 31140 1 67 . CYS . 31140 1 68 . ARG . 31140 1 69 . PHE . 31140 1 70 . GLY . 31140 1 71 . LYS . 31140 1 72 . LEU . 31140 1 73 . GLU . 31140 1 74 . GLY . 31140 1 75 . ASN . 31140 1 76 . PHE . 31140 1 77 . ALA . 31140 1 78 . LEU . 31140 1 79 . ASN . 31140 1 80 . LYS . 31140 1 81 . ASP . 31140 1 82 . LYS . 31140 1 83 . THR . 31140 1 84 . SER . 31140 1 85 . GLN . 31140 1 86 . GLU . 31140 1 87 . VAL . 31140 1 88 . ILE . 31140 1 89 . ASP . 31140 1 90 . GLN . 31140 1 91 . LEU . 31140 1 92 . VAL . 31140 1 93 . GLN . 31140 1 94 . ASP . 31140 1 95 . GLY . 31140 1 96 . LEU . 31140 1 97 . GLN . 31140 1 98 . PHE . 31140 1 99 . GLY . 31140 1 100 . GLU . 31140 1 101 . SER . 31140 1 102 . LYS . 31140 1 103 . VAL . 31140 1 104 . THR . 31140 1 105 . ILE . 31140 1 106 . LYS . 31140 1 107 . VAL . 31140 1 108 . SER . 31140 1 109 . GLU . 31140 1 110 . GLY . 31140 1 111 . GLU . 31140 1 112 . ALA . 31140 1 113 . LEU . 31140 1 114 . SER . 31140 1 115 . LYS . 31140 1 116 . PHE . 31140 1 117 . TRP . 31140 1 118 . GLU . 31140 1 119 . LEU . 31140 1 120 . HIS . 31140 1 121 . GLY . 31140 1 122 . ARG . 31140 1 123 . HIS . 31140 1 124 . TYR . 31140 1 125 . ASN . 31140 1 126 . GLY . 31140 1 127 . VAL . 31140 1 128 . MET . 31140 1 129 . GLU . 31140 1 130 . LEU . 31140 1 131 . LYS . 31140 1 132 . LYS . 31140 1 133 . LYS . 31140 1 134 . GLU . 31140 1 135 . VAL . 31140 1 136 . ASN . 31140 1 137 . GLN . 31140 1 138 . THR . 31140 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 31140 1 . SER 2 2 31140 1 . HIS 3 3 31140 1 . MET 4 4 31140 1 . ALA 5 5 31140 1 . SER 6 6 31140 1 . MET 7 7 31140 1 . ASP 8 8 31140 1 . PRO 9 9 31140 1 . ALA 10 10 31140 1 . GLU 11 11 31140 1 . ALA 12 12 31140 1 . ALA 13 13 31140 1 . GLU 14 14 31140 1 . LYS 15 15 31140 1 . GLU 16 16 31140 1 . ALA 17 17 31140 1 . ARG 18 18 31140 1 . GLU 19 19 31140 1 . ALA 20 20 31140 1 . GLU 21 21 31140 1 . LYS 22 22 31140 1 . LYS 23 23 31140 1 . GLU 24 24 31140 1 . LEU 25 25 31140 1 . ILE 26 26 31140 1 . ASN 27 27 31140 1 . PHE 28 28 31140 1 . TYR 29 29 31140 1 . GLU 30 30 31140 1 . THR 31 31 31140 1 . PHE 32 32 31140 1 . GLN 33 33 31140 1 . PRO 34 34 31140 1 . ILE 35 35 31140 1 . ILE 36 36 31140 1 . PHE 37 37 31140 1 . SER 38 38 31140 1 . THR 39 39 31140 1 . ALA 40 40 31140 1 . CYS 41 41 31140 1 . GLU 42 42 31140 1 . GLN 43 43 31140 1 . GLU 44 44 31140 1 . GLY 45 45 31140 1 . VAL 46 46 31140 1 . ALA 47 47 31140 1 . ASN 48 48 31140 1 . TRP 49 49 31140 1 . ARG 50 50 31140 1 . ASN 51 51 31140 1 . ILE 52 52 31140 1 . THR 53 53 31140 1 . GLU 54 54 31140 1 . ALA 55 55 31140 1 . LEU 56 56 31140 1 . LEU 57 57 31140 1 . LYS 58 58 31140 1 . GLN 59 59 31140 1 . HIS 60 60 31140 1 . ASN 61 61 31140 1 . VAL 62 62 31140 1 . HIS 63 63 31140 1 . ALA 64 64 31140 1 . PRO 65 65 31140 1 . TYR 66 66 31140 1 . CYS 67 67 31140 1 . ARG 68 68 31140 1 . PHE 69 69 31140 1 . GLY 70 70 31140 1 . LYS 71 71 31140 1 . LEU 72 72 31140 1 . GLU 73 73 31140 1 . GLY 74 74 31140 1 . ASN 75 75 31140 1 . PHE 76 76 31140 1 . ALA 77 77 31140 1 . LEU 78 78 31140 1 . ASN 79 79 31140 1 . LYS 80 80 31140 1 . ASP 81 81 31140 1 . LYS 82 82 31140 1 . THR 83 83 31140 1 . SER 84 84 31140 1 . GLN 85 85 31140 1 . GLU 86 86 31140 1 . VAL 87 87 31140 1 . ILE 88 88 31140 1 . ASP 89 89 31140 1 . GLN 90 90 31140 1 . LEU 91 91 31140 1 . VAL 92 92 31140 1 . GLN 93 93 31140 1 . ASP 94 94 31140 1 . GLY 95 95 31140 1 . LEU 96 96 31140 1 . GLN 97 97 31140 1 . PHE 98 98 31140 1 . GLY 99 99 31140 1 . GLU 100 100 31140 1 . SER 101 101 31140 1 . LYS 102 102 31140 1 . VAL 103 103 31140 1 . THR 104 104 31140 1 . ILE 105 105 31140 1 . LYS 106 106 31140 1 . VAL 107 107 31140 1 . SER 108 108 31140 1 . GLU 109 109 31140 1 . GLY 110 110 31140 1 . GLU 111 111 31140 1 . ALA 112 112 31140 1 . LEU 113 113 31140 1 . SER 114 114 31140 1 . LYS 115 115 31140 1 . PHE 116 116 31140 1 . TRP 117 117 31140 1 . GLU 118 118 31140 1 . LEU 119 119 31140 1 . HIS 120 120 31140 1 . GLY 121 121 31140 1 . ARG 122 122 31140 1 . HIS 123 123 31140 1 . TYR 124 124 31140 1 . ASN 125 125 31140 1 . GLY 126 126 31140 1 . VAL 127 127 31140 1 . MET 128 128 31140 1 . GLU 129 129 31140 1 . LEU 130 130 31140 1 . LYS 131 131 31140 1 . LYS 132 132 31140 1 . LYS 133 133 31140 1 . GLU 134 134 31140 1 . VAL 135 135 31140 1 . ASN 136 136 31140 1 . GLN 137 137 31140 1 . THR 138 138 31140 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 31140 _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 . 312017 . . 'Tetrahymena thermophila SB210' 'Tetrahymena thermophila' . . Eukaryota . Tetrahymena thermophila SB210 . . . . . . . . . . TTHERM_00384860 . 31140 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 31140 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli BL21:DE3 . . . . . . . . . 31140 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31140 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 135 mM sodium chloride, 0.8 mM [U-99% 13C; U-99% 15N] protein, 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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31140 1 2 'sodium chloride' 'natural abundance' . . . . . . 135 . . mM . . . . 31140 1 3 protein '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 31140 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 31140 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 155 . mM 31140 1 pH 7.4 . pH 31140 1 pressure 1 . atm 31140 1 temperature 298 . K 31140 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31140 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31140 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31140 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31140 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.5.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31140 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31140 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31140 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31140 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31140 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31140 _Software.ID 4 _Software.Type . _Software.Name Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Baker laboratory / RosettaCommons.org' . . 31140 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31140 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31140 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version 3.5p17 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31140 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31140 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31140 _Software.ID 6 _Software.Type . _Software.Name NMRtist _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. & Guntert, P.' . . 31140 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31140 6 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 31140 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 31140 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 700 . . . 31140 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 31140 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 9 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 10 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 12 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31140 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 31140 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 31140 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31140 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31140 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 31140 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 31140 1 2 '2D 1H-13C HSQC' . . . 31140 1 3 '2D 1H-13C HSQC aliphatic' . . . 31140 1 4 '2D 1H-13C HSQC aromatic' . . . 31140 1 5 '3D HNCACB' . . . 31140 1 6 '3D 1H-15N NOESY' . . . 31140 1 7 '3D 1H-13C NOESY' . . . 31140 1 8 '3D HN(CA)CO' . . . 31140 1 9 '3D HNCA' . . . 31140 1 10 '3D HNCO' . . . 31140 1 11 '3D HBHA(CO)NH' . . . 31140 1 12 '3D C(CO)NH' . . . 31140 1 13 '3D CBCA(CO)NH' . . . 31140 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 ALA H H 1 8.296 0.024 . 1 . . . . A 5 ALA H . 31140 1 2 . 1 . 1 5 5 ALA HB1 H 1 1.400 0.000 . 1 . . . . A 5 ALA HB1 . 31140 1 3 . 1 . 1 5 5 ALA HB2 H 1 1.400 0.000 . 1 . . . . A 5 ALA HB2 . 31140 1 4 . 1 . 1 5 5 ALA HB3 H 1 1.400 0.000 . 1 . . . . A 5 ALA HB3 . 31140 1 5 . 1 . 1 5 5 ALA CA C 13 52.882 0.126 . 1 . . . . A 5 ALA CA . 31140 1 6 . 1 . 1 5 5 ALA CB C 13 19.415 0.123 . 1 . . . . A 5 ALA CB . 31140 1 7 . 1 . 1 5 5 ALA N N 15 124.950 0.000 . 1 . . . . A 5 ALA N . 31140 1 8 . 1 . 1 6 6 SER H H 1 8.226 0.011 . 1 . . . . A 6 SER H . 31140 1 9 . 1 . 1 6 6 SER CA C 13 58.190 0.041 . 1 . . . . A 6 SER CA . 31140 1 10 . 1 . 1 6 6 SER CB C 13 63.787 0.041 . 1 . . . . A 6 SER CB . 31140 1 11 . 1 . 1 6 6 SER N N 15 114.605 0.000 . 1 . . . . A 6 SER N . 31140 1 12 . 1 . 1 7 7 MET H H 1 8.266 0.000 . 1 . . . . A 7 MET H . 31140 1 13 . 1 . 1 7 7 MET HE1 H 1 2.005 0.000 . 1 . . . . A 7 MET HE1 . 31140 1 14 . 1 . 1 7 7 MET HE2 H 1 2.005 0.000 . 1 . . . . A 7 MET HE2 . 31140 1 15 . 1 . 1 7 7 MET HE3 H 1 2.005 0.000 . 1 . . . . A 7 MET HE3 . 31140 1 16 . 1 . 1 7 7 MET CA C 13 55.310 0.000 . 1 . . . . A 7 MET CA . 31140 1 17 . 1 . 1 7 7 MET CB C 13 33.329 0.081 . 1 . . . . A 7 MET CB . 31140 1 18 . 1 . 1 7 7 MET CE C 13 16.951 0.000 . 1 . . . . A 7 MET CE . 31140 1 19 . 1 . 1 7 7 MET N N 15 122.033 0.000 . 1 . . . . A 7 MET N . 31140 1 20 . 1 . 1 8 8 ASP H H 1 8.548 0.003 . 1 . . . . A 8 ASP H . 31140 1 21 . 1 . 1 8 8 ASP CA C 13 52.553 0.000 . 1 . . . . A 8 ASP CA . 31140 1 22 . 1 . 1 8 8 ASP CB C 13 41.440 0.000 . 1 . . . . A 8 ASP CB . 31140 1 23 . 1 . 1 8 8 ASP N N 15 124.298 0.000 . 1 . . . . A 8 ASP N . 31140 1 24 . 1 . 1 9 9 PRO CA C 13 64.310 0.000 . 1 . . . . A 9 PRO CA . 31140 1 25 . 1 . 1 9 9 PRO CB C 13 32.309 0.000 . 1 . . . . A 9 PRO CB . 31140 1 26 . 1 . 1 10 10 ALA H H 1 8.430 0.003 . 1 . . . . A 10 ALA H . 31140 1 27 . 1 . 1 10 10 ALA HB1 H 1 1.450 0.000 . 1 . . . . A 10 ALA HB1 . 31140 1 28 . 1 . 1 10 10 ALA HB2 H 1 1.450 0.000 . 1 . . . . A 10 ALA HB2 . 31140 1 29 . 1 . 1 10 10 ALA HB3 H 1 1.450 0.000 . 1 . . . . A 10 ALA HB3 . 31140 1 30 . 1 . 1 10 10 ALA CA C 13 54.144 0.051 . 1 . . . . A 10 ALA CA . 31140 1 31 . 1 . 1 10 10 ALA CB C 13 18.618 0.184 . 1 . . . . A 10 ALA CB . 31140 1 32 . 1 . 1 10 10 ALA N N 15 122.455 0.000 . 1 . . . . A 10 ALA N . 31140 1 33 . 1 . 1 11 11 GLU H H 1 8.013 0.007 . 1 . . . . A 11 GLU H . 31140 1 34 . 1 . 1 11 11 GLU CA C 13 57.940 0.034 . 1 . . . . A 11 GLU CA . 31140 1 35 . 1 . 1 11 11 GLU CB C 13 29.720 0.000 . 1 . . . . A 11 GLU CB . 31140 1 36 . 1 . 1 11 11 GLU N N 15 119.955 0.000 . 1 . . . . A 11 GLU N . 31140 1 37 . 1 . 1 12 12 ALA H H 1 8.187 0.003 . 1 . . . . A 12 ALA H . 31140 1 38 . 1 . 1 12 12 ALA HB1 H 1 1.510 0.000 . 1 . . . . A 12 ALA HB1 . 31140 1 39 . 1 . 1 12 12 ALA HB2 H 1 1.510 0.000 . 1 . . . . A 12 ALA HB2 . 31140 1 40 . 1 . 1 12 12 ALA HB3 H 1 1.510 0.000 . 1 . . . . A 12 ALA HB3 . 31140 1 41 . 1 . 1 12 12 ALA CA C 13 54.506 0.088 . 1 . . . . A 12 ALA CA . 31140 1 42 . 1 . 1 12 12 ALA CB C 13 18.652 0.120 . 1 . . . . A 12 ALA CB . 31140 1 43 . 1 . 1 12 12 ALA N N 15 123.193 0.000 . 1 . . . . A 12 ALA N . 31140 1 44 . 1 . 1 13 13 ALA H H 1 8.065 0.003 . 1 . . . . A 13 ALA H . 31140 1 45 . 1 . 1 13 13 ALA HB1 H 1 1.447 0.033 . 1 . . . . A 13 ALA HB1 . 31140 1 46 . 1 . 1 13 13 ALA HB2 H 1 1.447 0.033 . 1 . . . . A 13 ALA HB2 . 31140 1 47 . 1 . 1 13 13 ALA HB3 H 1 1.447 0.033 . 1 . . . . A 13 ALA HB3 . 31140 1 48 . 1 . 1 13 13 ALA CA C 13 54.418 0.000 . 1 . . . . A 13 ALA CA . 31140 1 49 . 1 . 1 13 13 ALA CB C 13 18.557 0.154 . 1 . . . . A 13 ALA CB . 31140 1 50 . 1 . 1 13 13 ALA N N 15 121.245 0.000 . 1 . . . . A 13 ALA N . 31140 1 51 . 1 . 1 14 14 GLU H H 1 8.078 0.006 . 1 . . . . A 14 GLU H . 31140 1 52 . 1 . 1 14 14 GLU CA C 13 59.060 0.090 . 1 . . . . A 14 GLU CA . 31140 1 53 . 1 . 1 14 14 GLU CB C 13 32.288 0.000 . 1 . . . . A 14 GLU CB . 31140 1 54 . 1 . 1 14 14 GLU N N 15 120.755 0.000 . 1 . . . . A 14 GLU N . 31140 1 55 . 1 . 1 15 15 LYS H H 1 8.204 0.012 . 1 . . . . A 15 LYS H . 31140 1 56 . 1 . 1 15 15 LYS CA C 13 58.788 0.000 . 1 . . . . A 15 LYS CA . 31140 1 57 . 1 . 1 15 15 LYS N N 15 119.555 0.000 . 1 . . . . A 15 LYS N . 31140 1 58 . 1 . 1 19 19 GLU CA C 13 54.737 0.000 . 1 . . . . A 19 GLU CA . 31140 1 59 . 1 . 1 19 19 GLU CB C 13 29.633 0.000 . 1 . . . . A 19 GLU CB . 31140 1 60 . 1 . 1 20 20 ALA H H 1 8.138 0.002 . 1 . . . . A 20 ALA H . 31140 1 61 . 1 . 1 20 20 ALA CA C 13 54.323 0.000 . 1 . . . . A 20 ALA CA . 31140 1 62 . 1 . 1 20 20 ALA CB C 13 18.322 0.089 . 1 . . . . A 20 ALA CB . 31140 1 63 . 1 . 1 20 20 ALA N N 15 122.994 0.000 . 1 . . . . A 20 ALA N . 31140 1 64 . 1 . 1 21 21 GLU H H 1 8.209 0.005 . 1 . . . . A 21 GLU H . 31140 1 65 . 1 . 1 21 21 GLU CA C 13 58.340 0.000 . 1 . . . . A 21 GLU CA . 31140 1 66 . 1 . 1 21 21 GLU N N 15 119.122 0.000 . 1 . . . . A 21 GLU N . 31140 1 67 . 1 . 1 24 24 GLU CA C 13 58.407 0.000 . 1 . . . . A 24 GLU CA . 31140 1 68 . 1 . 1 25 25 LEU H H 1 8.072 0.009 . 1 . . . . A 25 LEU H . 31140 1 69 . 1 . 1 25 25 LEU HA H 1 4.221 0.000 . 1 . . . . A 25 LEU HA . 31140 1 70 . 1 . 1 25 25 LEU HB2 H 1 1.741 0.009 . 2 . . . . A 25 LEU HB2 . 31140 1 71 . 1 . 1 25 25 LEU HB3 H 1 1.823 0.000 . 2 . . . . A 25 LEU HB3 . 31140 1 72 . 1 . 1 25 25 LEU HD11 H 1 0.906 0.004 . 2 . . . . A 25 LEU HD11 . 31140 1 73 . 1 . 1 25 25 LEU HD12 H 1 0.906 0.004 . 2 . . . . A 25 LEU HD12 . 31140 1 74 . 1 . 1 25 25 LEU HD13 H 1 0.906 0.004 . 2 . . . . A 25 LEU HD13 . 31140 1 75 . 1 . 1 25 25 LEU HD21 H 1 0.877 0.008 . 2 . . . . A 25 LEU HD21 . 31140 1 76 . 1 . 1 25 25 LEU HD22 H 1 0.877 0.008 . 2 . . . . A 25 LEU HD22 . 31140 1 77 . 1 . 1 25 25 LEU HD23 H 1 0.877 0.008 . 2 . . . . A 25 LEU HD23 . 31140 1 78 . 1 . 1 25 25 LEU C C 13 178.349 0.000 . 1 . . . . A 25 LEU C . 31140 1 79 . 1 . 1 25 25 LEU CA C 13 57.436 0.035 . 1 . . . . A 25 LEU CA . 31140 1 80 . 1 . 1 25 25 LEU CB C 13 42.179 0.041 . 1 . . . . A 25 LEU CB . 31140 1 81 . 1 . 1 25 25 LEU CG C 13 26.938 0.000 . 1 . . . . A 25 LEU CG . 31140 1 82 . 1 . 1 25 25 LEU CD1 C 13 24.810 0.024 . 2 . . . . A 25 LEU CD1 . 31140 1 83 . 1 . 1 25 25 LEU CD2 C 13 24.028 0.000 . 2 . . . . A 25 LEU CD2 . 31140 1 84 . 1 . 1 25 25 LEU N N 15 122.813 0.000 . 1 . . . . A 25 LEU N . 31140 1 85 . 1 . 1 26 26 ILE H H 1 8.287 0.011 . 1 . . . . A 26 ILE H . 31140 1 86 . 1 . 1 26 26 ILE HA H 1 3.900 0.005 . 1 . . . . A 26 ILE HA . 31140 1 87 . 1 . 1 26 26 ILE HB H 1 1.916 0.004 . 1 . . . . A 26 ILE HB . 31140 1 88 . 1 . 1 26 26 ILE HG12 H 1 1.701 0.007 . 1 . . . . A 26 ILE HG12 . 31140 1 89 . 1 . 1 26 26 ILE HG21 H 1 0.970 0.038 . 1 . . . . A 26 ILE HG21 . 31140 1 90 . 1 . 1 26 26 ILE HG22 H 1 0.970 0.038 . 1 . . . . A 26 ILE HG22 . 31140 1 91 . 1 . 1 26 26 ILE HG23 H 1 0.970 0.038 . 1 . . . . A 26 ILE HG23 . 31140 1 92 . 1 . 1 26 26 ILE HD11 H 1 0.896 0.006 . 1 . . . . A 26 ILE HD11 . 31140 1 93 . 1 . 1 26 26 ILE HD12 H 1 0.896 0.006 . 1 . . . . A 26 ILE HD12 . 31140 1 94 . 1 . 1 26 26 ILE HD13 H 1 0.896 0.006 . 1 . . . . A 26 ILE HD13 . 31140 1 95 . 1 . 1 26 26 ILE C C 13 177.960 0.000 . 1 . . . . A 26 ILE C . 31140 1 96 . 1 . 1 26 26 ILE CA C 13 64.399 0.063 . 1 . . . . A 26 ILE CA . 31140 1 97 . 1 . 1 26 26 ILE CB C 13 38.250 0.015 . 1 . . . . A 26 ILE CB . 31140 1 98 . 1 . 1 26 26 ILE CG1 C 13 29.068 0.000 . 1 . . . . A 26 ILE CG1 . 31140 1 99 . 1 . 1 26 26 ILE CG2 C 13 17.436 0.025 . 1 . . . . A 26 ILE CG2 . 31140 1 100 . 1 . 1 26 26 ILE CD1 C 13 13.642 0.029 . 1 . . . . A 26 ILE CD1 . 31140 1 101 . 1 . 1 26 26 ILE N N 15 119.857 0.000 . 1 . . . . A 26 ILE N . 31140 1 102 . 1 . 1 27 27 ASN H H 1 8.149 0.011 . 1 . . . . A 27 ASN H . 31140 1 103 . 1 . 1 27 27 ASN HA H 1 4.555 0.012 . 1 . . . . A 27 ASN HA . 31140 1 104 . 1 . 1 27 27 ASN HB2 H 1 2.834 0.005 . 1 . . . . A 27 ASN HB2 . 31140 1 105 . 1 . 1 27 27 ASN HD21 H 1 7.770 0.016 . 1 . . . . A 27 ASN HD21 . 31140 1 106 . 1 . 1 27 27 ASN HD22 H 1 7.062 0.030 . 1 . . . . A 27 ASN HD22 . 31140 1 107 . 1 . 1 27 27 ASN C C 13 176.764 0.016 . 1 . . . . A 27 ASN C . 31140 1 108 . 1 . 1 27 27 ASN CA C 13 56.165 0.089 . 1 . . . . A 27 ASN CA . 31140 1 109 . 1 . 1 27 27 ASN CB C 13 39.056 0.000 . 1 . . . . A 27 ASN CB . 31140 1 110 . 1 . 1 27 27 ASN N N 15 118.966 0.065 . 1 . . . . A 27 ASN N . 31140 1 111 . 1 . 1 27 27 ASN ND2 N 15 113.045 0.000 . 1 . . . . A 27 ASN ND2 . 31140 1 112 . 1 . 1 28 28 PHE H H 1 8.417 0.009 . 1 . . . . A 28 PHE H . 31140 1 113 . 1 . 1 28 28 PHE HA H 1 4.192 0.024 . 1 . . . . A 28 PHE HA . 31140 1 114 . 1 . 1 28 28 PHE HB2 H 1 3.200 0.007 . 2 . . . . A 28 PHE HB2 . 31140 1 115 . 1 . 1 28 28 PHE HB3 H 1 3.249 0.006 . 2 . . . . A 28 PHE HB3 . 31140 1 116 . 1 . 1 28 28 PHE HD1 H 1 6.734 0.004 . 1 . . . . A 28 PHE HD1 . 31140 1 117 . 1 . 1 28 28 PHE HD2 H 1 6.734 0.004 . 1 . . . . A 28 PHE HD2 . 31140 1 118 . 1 . 1 28 28 PHE HE1 H 1 7.170 0.003 . 1 . . . . A 28 PHE HE1 . 31140 1 119 . 1 . 1 28 28 PHE HE2 H 1 7.170 0.003 . 1 . . . . A 28 PHE HE2 . 31140 1 120 . 1 . 1 28 28 PHE C C 13 176.655 0.020 . 1 . . . . A 28 PHE C . 31140 1 121 . 1 . 1 28 28 PHE CA C 13 60.612 0.027 . 1 . . . . A 28 PHE CA . 31140 1 122 . 1 . 1 28 28 PHE CB C 13 38.872 0.036 . 1 . . . . A 28 PHE CB . 31140 1 123 . 1 . 1 28 28 PHE CD1 C 13 133.323 0.000 . 1 . . . . A 28 PHE CD1 . 31140 1 124 . 1 . 1 28 28 PHE CD2 C 13 133.323 0.000 . 1 . . . . A 28 PHE CD2 . 31140 1 125 . 1 . 1 28 28 PHE CE1 C 13 130.886 0.000 . 1 . . . . A 28 PHE CE1 . 31140 1 126 . 1 . 1 28 28 PHE CE2 C 13 130.886 0.000 . 1 . . . . A 28 PHE CE2 . 31140 1 127 . 1 . 1 28 28 PHE N N 15 122.235 0.000 . 1 . . . . A 28 PHE N . 31140 1 128 . 1 . 1 29 29 TYR H H 1 7.981 0.013 . 1 . . . . A 29 TYR H . 31140 1 129 . 1 . 1 29 29 TYR HA H 1 4.235 0.026 . 1 . . . . A 29 TYR HA . 31140 1 130 . 1 . 1 29 29 TYR HB2 H 1 2.903 0.014 . 2 . . . . A 29 TYR HB2 . 31140 1 131 . 1 . 1 29 29 TYR HB3 H 1 3.070 0.010 . 2 . . . . A 29 TYR HB3 . 31140 1 132 . 1 . 1 29 29 TYR HD1 H 1 7.112 0.028 . 1 . . . . A 29 TYR HD1 . 31140 1 133 . 1 . 1 29 29 TYR HD2 H 1 7.112 0.028 . 1 . . . . A 29 TYR HD2 . 31140 1 134 . 1 . 1 29 29 TYR HE1 H 1 6.688 0.008 . 1 . . . . A 29 TYR HE1 . 31140 1 135 . 1 . 1 29 29 TYR HE2 H 1 6.688 0.008 . 1 . . . . A 29 TYR HE2 . 31140 1 136 . 1 . 1 29 29 TYR C C 13 177.733 0.000 . 1 . . . . A 29 TYR C . 31140 1 137 . 1 . 1 29 29 TYR CA C 13 61.133 0.000 . 1 . . . . A 29 TYR CA . 31140 1 138 . 1 . 1 29 29 TYR CB C 13 38.648 0.000 . 1 . . . . A 29 TYR CB . 31140 1 139 . 1 . 1 29 29 TYR CD1 C 13 132.779 0.038 . 1 . . . . A 29 TYR CD1 . 31140 1 140 . 1 . 1 29 29 TYR CD2 C 13 132.779 0.038 . 1 . . . . A 29 TYR CD2 . 31140 1 141 . 1 . 1 29 29 TYR CE1 C 13 118.200 0.033 . 1 . . . . A 29 TYR CE1 . 31140 1 142 . 1 . 1 29 29 TYR CE2 C 13 118.200 0.033 . 1 . . . . A 29 TYR CE2 . 31140 1 143 . 1 . 1 29 29 TYR N N 15 115.540 0.024 . 1 . . . . A 29 TYR N . 31140 1 144 . 1 . 1 30 30 GLU H H 1 8.581 0.018 . 1 . . . . A 30 GLU H . 31140 1 145 . 1 . 1 30 30 GLU HA H 1 4.745 0.010 . 1 . . . . A 30 GLU HA . 31140 1 146 . 1 . 1 30 30 GLU HB2 H 1 2.224 0.003 . 2 . . . . A 30 GLU HB2 . 31140 1 147 . 1 . 1 30 30 GLU HB3 H 1 2.156 0.021 . 2 . . . . A 30 GLU HB3 . 31140 1 148 . 1 . 1 30 30 GLU HG2 H 1 2.424 0.000 . 2 . . . . A 30 GLU HG2 . 31140 1 149 . 1 . 1 30 30 GLU HG3 H 1 2.348 0.006 . 2 . . . . A 30 GLU HG3 . 31140 1 150 . 1 . 1 30 30 GLU C C 13 177.884 0.000 . 1 . . . . A 30 GLU C . 31140 1 151 . 1 . 1 30 30 GLU CA C 13 58.939 0.016 . 1 . . . . A 30 GLU CA . 31140 1 152 . 1 . 1 30 30 GLU CB C 13 30.356 0.000 . 1 . . . . A 30 GLU CB . 31140 1 153 . 1 . 1 30 30 GLU CG C 13 36.450 0.000 . 1 . . . . A 30 GLU CG . 31140 1 154 . 1 . 1 30 30 GLU N N 15 120.286 0.000 . 1 . . . . A 30 GLU N . 31140 1 155 . 1 . 1 31 31 THR H H 1 7.720 0.016 . 1 . . . . A 31 THR H . 31140 1 156 . 1 . 1 31 31 THR HA H 1 4.744 0.000 . 1 . . . . A 31 THR HA . 31140 1 157 . 1 . 1 31 31 THR HB H 1 4.469 0.009 . 1 . . . . A 31 THR HB . 31140 1 158 . 1 . 1 31 31 THR HG21 H 1 1.231 0.004 . 1 . . . . A 31 THR HG21 . 31140 1 159 . 1 . 1 31 31 THR HG22 H 1 1.231 0.004 . 1 . . . . A 31 THR HG22 . 31140 1 160 . 1 . 1 31 31 THR HG23 H 1 1.231 0.004 . 1 . . . . A 31 THR HG23 . 31140 1 161 . 1 . 1 31 31 THR C C 13 174.057 0.000 . 1 . . . . A 31 THR C . 31140 1 162 . 1 . 1 31 31 THR CA C 13 60.959 0.055 . 1 . . . . A 31 THR CA . 31140 1 163 . 1 . 1 31 31 THR CB C 13 70.030 0.063 . 1 . . . . A 31 THR CB . 31140 1 164 . 1 . 1 31 31 THR CG2 C 13 21.337 0.052 . 1 . . . . A 31 THR CG2 . 31140 1 165 . 1 . 1 31 31 THR N N 15 106.632 0.000 . 1 . . . . A 31 THR N . 31140 1 166 . 1 . 1 32 32 PHE H H 1 7.204 0.011 . 1 . . . . A 32 PHE H . 31140 1 167 . 1 . 1 32 32 PHE HA H 1 3.915 0.027 . 1 . . . . A 32 PHE HA . 31140 1 168 . 1 . 1 32 32 PHE HB2 H 1 3.124 0.019 . 2 . . . . A 32 PHE HB2 . 31140 1 169 . 1 . 1 32 32 PHE HB3 H 1 2.944 0.020 . 2 . . . . A 32 PHE HB3 . 31140 1 170 . 1 . 1 32 32 PHE HD1 H 1 6.859 0.013 . 1 . . . . A 32 PHE HD1 . 31140 1 171 . 1 . 1 32 32 PHE HD2 H 1 6.859 0.013 . 1 . . . . A 32 PHE HD2 . 31140 1 172 . 1 . 1 32 32 PHE HE1 H 1 7.332 0.017 . 1 . . . . A 32 PHE HE1 . 31140 1 173 . 1 . 1 32 32 PHE HE2 H 1 7.332 0.017 . 1 . . . . A 32 PHE HE2 . 31140 1 174 . 1 . 1 32 32 PHE C C 13 174.852 0.000 . 1 . . . . A 32 PHE C . 31140 1 175 . 1 . 1 32 32 PHE CA C 13 59.639 0.074 . 1 . . . . A 32 PHE CA . 31140 1 176 . 1 . 1 32 32 PHE CB C 13 39.963 0.026 . 1 . . . . A 32 PHE CB . 31140 1 177 . 1 . 1 32 32 PHE CD1 C 13 132.325 0.050 . 1 . . . . A 32 PHE CD1 . 31140 1 178 . 1 . 1 32 32 PHE CD2 C 13 132.325 0.050 . 1 . . . . A 32 PHE CD2 . 31140 1 179 . 1 . 1 32 32 PHE CE1 C 13 130.753 0.006 . 1 . . . . A 32 PHE CE1 . 31140 1 180 . 1 . 1 32 32 PHE CE2 C 13 130.753 0.006 . 1 . . . . A 32 PHE CE2 . 31140 1 181 . 1 . 1 32 32 PHE N N 15 124.407 0.000 . 1 . . . . A 32 PHE N . 31140 1 182 . 1 . 1 33 33 GLN H H 1 7.775 0.011 . 1 . . . . A 33 GLN H . 31140 1 183 . 1 . 1 33 33 GLN HA H 1 4.945 0.008 . 1 . . . . A 33 GLN HA . 31140 1 184 . 1 . 1 33 33 GLN HB2 H 1 2.006 0.009 . 2 . . . . A 33 GLN HB2 . 31140 1 185 . 1 . 1 33 33 GLN HB3 H 1 1.914 0.012 . 2 . . . . A 33 GLN HB3 . 31140 1 186 . 1 . 1 33 33 GLN HG2 H 1 2.427 0.000 . 2 . . . . A 33 GLN HG2 . 31140 1 187 . 1 . 1 33 33 GLN HG3 H 1 2.351 0.007 . 2 . . . . A 33 GLN HG3 . 31140 1 188 . 1 . 1 33 33 GLN HE21 H 1 7.573 0.001 . 1 . . . . A 33 GLN HE21 . 31140 1 189 . 1 . 1 33 33 GLN HE22 H 1 6.946 0.002 . 1 . . . . A 33 GLN HE22 . 31140 1 190 . 1 . 1 33 33 GLN C C 13 172.656 0.000 . 1 . . . . A 33 GLN C . 31140 1 191 . 1 . 1 33 33 GLN CA C 13 51.565 0.061 . 1 . . . . A 33 GLN CA . 31140 1 192 . 1 . 1 33 33 GLN CB C 13 30.270 0.057 . 1 . . . . A 33 GLN CB . 31140 1 193 . 1 . 1 33 33 GLN CG C 13 33.442 0.072 . 1 . . . . A 33 GLN CG . 31140 1 194 . 1 . 1 33 33 GLN N N 15 129.573 0.000 . 1 . . . . A 33 GLN N . 31140 1 195 . 1 . 1 33 33 GLN NE2 N 15 113.001 0.010 . 1 . . . . A 33 GLN NE2 . 31140 1 196 . 1 . 1 34 34 PRO HA H 1 4.970 0.015 . 1 . . . . A 34 PRO HA . 31140 1 197 . 1 . 1 34 34 PRO HB2 H 1 2.628 0.015 . 2 . . . . A 34 PRO HB2 . 31140 1 198 . 1 . 1 34 34 PRO HB3 H 1 2.359 0.016 . 2 . . . . A 34 PRO HB3 . 31140 1 199 . 1 . 1 34 34 PRO HG2 H 1 1.833 0.020 . 2 . . . . A 34 PRO HG2 . 31140 1 200 . 1 . 1 34 34 PRO HG3 H 1 1.629 0.000 . 2 . . . . A 34 PRO HG3 . 31140 1 201 . 1 . 1 34 34 PRO HD2 H 1 3.924 0.019 . 2 . . . . A 34 PRO HD2 . 31140 1 202 . 1 . 1 34 34 PRO HD3 H 1 3.905 0.000 . 2 . . . . A 34 PRO HD3 . 31140 1 203 . 1 . 1 34 34 PRO C C 13 178.027 0.000 . 1 . . . . A 34 PRO C . 31140 1 204 . 1 . 1 34 34 PRO CA C 13 62.939 0.026 . 1 . . . . A 34 PRO CA . 31140 1 205 . 1 . 1 34 34 PRO CB C 13 33.088 0.023 . 1 . . . . A 34 PRO CB . 31140 1 206 . 1 . 1 35 35 ILE H H 1 8.867 0.005 . 1 . . . . A 35 ILE H . 31140 1 207 . 1 . 1 35 35 ILE HA H 1 4.489 0.021 . 1 . . . . A 35 ILE HA . 31140 1 208 . 1 . 1 35 35 ILE HB H 1 1.575 0.012 . 1 . . . . A 35 ILE HB . 31140 1 209 . 1 . 1 35 35 ILE HG12 H 1 1.376 0.010 . 2 . . . . A 35 ILE HG12 . 31140 1 210 . 1 . 1 35 35 ILE HG13 H 1 0.584 0.012 . 2 . . . . A 35 ILE HG13 . 31140 1 211 . 1 . 1 35 35 ILE HG21 H 1 0.857 0.033 . 1 . . . . A 35 ILE HG21 . 31140 1 212 . 1 . 1 35 35 ILE HG22 H 1 0.857 0.033 . 1 . . . . A 35 ILE HG22 . 31140 1 213 . 1 . 1 35 35 ILE HG23 H 1 0.857 0.033 . 1 . . . . A 35 ILE HG23 . 31140 1 214 . 1 . 1 35 35 ILE HD11 H 1 0.831 0.021 . 1 . . . . A 35 ILE HD11 . 31140 1 215 . 1 . 1 35 35 ILE HD12 H 1 0.831 0.021 . 1 . . . . A 35 ILE HD12 . 31140 1 216 . 1 . 1 35 35 ILE HD13 H 1 0.831 0.021 . 1 . . . . A 35 ILE HD13 . 31140 1 217 . 1 . 1 35 35 ILE C C 13 174.183 0.046 . 1 . . . . A 35 ILE C . 31140 1 218 . 1 . 1 35 35 ILE CA C 13 60.813 0.094 . 1 . . . . A 35 ILE CA . 31140 1 219 . 1 . 1 35 35 ILE CB C 13 40.631 0.057 . 1 . . . . A 35 ILE CB . 31140 1 220 . 1 . 1 35 35 ILE CG1 C 13 27.382 0.004 . 1 . . . . A 35 ILE CG1 . 31140 1 221 . 1 . 1 35 35 ILE CG2 C 13 15.568 0.046 . 1 . . . . A 35 ILE CG2 . 31140 1 222 . 1 . 1 35 35 ILE CD1 C 13 14.177 0.028 . 1 . . . . A 35 ILE CD1 . 31140 1 223 . 1 . 1 35 35 ILE N N 15 119.408 0.000 . 1 . . . . A 35 ILE N . 31140 1 224 . 1 . 1 36 36 ILE H H 1 7.868 0.015 . 1 . . . . A 36 ILE H . 31140 1 225 . 1 . 1 36 36 ILE HA H 1 4.807 0.000 . 1 . . . . A 36 ILE HA . 31140 1 226 . 1 . 1 36 36 ILE HB H 1 1.571 0.014 . 1 . . . . A 36 ILE HB . 31140 1 227 . 1 . 1 36 36 ILE HG12 H 1 0.639 0.024 . 2 . . . . A 36 ILE HG12 . 31140 1 228 . 1 . 1 36 36 ILE HG13 H 1 1.507 0.029 . 2 . . . . A 36 ILE HG13 . 31140 1 229 . 1 . 1 36 36 ILE HG21 H 1 -0.161 0.014 . 1 . . . . A 36 ILE HG21 . 31140 1 230 . 1 . 1 36 36 ILE HG22 H 1 -0.161 0.014 . 1 . . . . A 36 ILE HG22 . 31140 1 231 . 1 . 1 36 36 ILE HG23 H 1 -0.161 0.014 . 1 . . . . A 36 ILE HG23 . 31140 1 232 . 1 . 1 36 36 ILE HD11 H 1 0.116 0.007 . 1 . . . . A 36 ILE HD11 . 31140 1 233 . 1 . 1 36 36 ILE HD12 H 1 0.116 0.007 . 1 . . . . A 36 ILE HD12 . 31140 1 234 . 1 . 1 36 36 ILE HD13 H 1 0.116 0.007 . 1 . . . . A 36 ILE HD13 . 31140 1 235 . 1 . 1 36 36 ILE C C 13 174.901 0.023 . 1 . . . . A 36 ILE C . 31140 1 236 . 1 . 1 36 36 ILE CA C 13 57.794 0.055 . 1 . . . . A 36 ILE CA . 31140 1 237 . 1 . 1 36 36 ILE CB C 13 35.612 0.028 . 1 . . . . A 36 ILE CB . 31140 1 238 . 1 . 1 36 36 ILE CG1 C 13 25.649 0.062 . 1 . . . . A 36 ILE CG1 . 31140 1 239 . 1 . 1 36 36 ILE CG2 C 13 14.827 0.012 . 1 . . . . A 36 ILE CG2 . 31140 1 240 . 1 . 1 36 36 ILE CD1 C 13 9.245 0.046 . 1 . . . . A 36 ILE CD1 . 31140 1 241 . 1 . 1 36 36 ILE N N 15 125.677 0.000 . 1 . . . . A 36 ILE N . 31140 1 242 . 1 . 1 37 37 PHE H H 1 8.602 0.011 . 1 . . . . A 37 PHE H . 31140 1 243 . 1 . 1 37 37 PHE HA H 1 4.737 0.016 . 1 . . . . A 37 PHE HA . 31140 1 244 . 1 . 1 37 37 PHE HB2 H 1 2.179 0.006 . 2 . . . . A 37 PHE HB2 . 31140 1 245 . 1 . 1 37 37 PHE HB3 H 1 0.795 0.020 . 2 . . . . A 37 PHE HB3 . 31140 1 246 . 1 . 1 37 37 PHE HD1 H 1 6.658 0.010 . 1 . . . . A 37 PHE HD1 . 31140 1 247 . 1 . 1 37 37 PHE HD2 H 1 6.658 0.010 . 1 . . . . A 37 PHE HD2 . 31140 1 248 . 1 . 1 37 37 PHE HE1 H 1 6.939 0.021 . 1 . . . . A 37 PHE HE1 . 31140 1 249 . 1 . 1 37 37 PHE HE2 H 1 6.939 0.021 . 1 . . . . A 37 PHE HE2 . 31140 1 250 . 1 . 1 37 37 PHE C C 13 176.804 0.000 . 1 . . . . A 37 PHE C . 31140 1 251 . 1 . 1 37 37 PHE CA C 13 56.312 0.043 . 1 . . . . A 37 PHE CA . 31140 1 252 . 1 . 1 37 37 PHE CB C 13 41.946 0.000 . 1 . . . . A 37 PHE CB . 31140 1 253 . 1 . 1 37 37 PHE CD1 C 13 132.977 0.322 . 1 . . . . A 37 PHE CD1 . 31140 1 254 . 1 . 1 37 37 PHE CD2 C 13 132.977 0.322 . 1 . . . . A 37 PHE CD2 . 31140 1 255 . 1 . 1 37 37 PHE N N 15 124.119 0.077 . 1 . . . . A 37 PHE N . 31140 1 256 . 1 . 1 38 38 SER H H 1 9.649 0.007 . 1 . . . . A 38 SER H . 31140 1 257 . 1 . 1 38 38 SER HA H 1 5.202 0.009 . 1 . . . . A 38 SER HA . 31140 1 258 . 1 . 1 38 38 SER HB2 H 1 4.041 0.017 . 2 . . . . A 38 SER HB2 . 31140 1 259 . 1 . 1 38 38 SER HB3 H 1 3.610 0.013 . 2 . . . . A 38 SER HB3 . 31140 1 260 . 1 . 1 38 38 SER C C 13 173.231 0.045 . 1 . . . . A 38 SER C . 31140 1 261 . 1 . 1 38 38 SER CA C 13 57.740 0.057 . 1 . . . . A 38 SER CA . 31140 1 262 . 1 . 1 38 38 SER CB C 13 65.156 0.039 . 1 . . . . A 38 SER CB . 31140 1 263 . 1 . 1 38 38 SER N N 15 118.497 0.000 . 1 . . . . A 38 SER N . 31140 1 264 . 1 . 1 39 39 THR H H 1 8.368 0.013 . 1 . . . . A 39 THR H . 31140 1 265 . 1 . 1 39 39 THR HA H 1 5.784 0.023 . 1 . . . . A 39 THR HA . 31140 1 266 . 1 . 1 39 39 THR HB H 1 4.171 0.012 . 1 . . . . A 39 THR HB . 31140 1 267 . 1 . 1 39 39 THR HG21 H 1 1.328 0.020 . 1 . . . . A 39 THR HG21 . 31140 1 268 . 1 . 1 39 39 THR HG22 H 1 1.328 0.020 . 1 . . . . A 39 THR HG22 . 31140 1 269 . 1 . 1 39 39 THR HG23 H 1 1.328 0.020 . 1 . . . . A 39 THR HG23 . 31140 1 270 . 1 . 1 39 39 THR C C 13 175.470 0.016 . 1 . . . . A 39 THR C . 31140 1 271 . 1 . 1 39 39 THR CA C 13 57.955 0.029 . 1 . . . . A 39 THR CA . 31140 1 272 . 1 . 1 39 39 THR CB C 13 71.971 0.024 . 1 . . . . A 39 THR CB . 31140 1 273 . 1 . 1 39 39 THR CG2 C 13 24.095 0.000 . 1 . . . . A 39 THR CG2 . 31140 1 274 . 1 . 1 39 39 THR N N 15 113.990 0.000 . 1 . . . . A 39 THR N . 31140 1 275 . 1 . 1 40 40 ALA H H 1 8.371 0.010 . 1 . . . . A 40 ALA H . 31140 1 276 . 1 . 1 40 40 ALA HA H 1 5.311 0.010 . 1 . . . . A 40 ALA HA . 31140 1 277 . 1 . 1 40 40 ALA HB1 H 1 1.452 0.034 . 1 . . . . A 40 ALA HB1 . 31140 1 278 . 1 . 1 40 40 ALA HB2 H 1 1.452 0.034 . 1 . . . . A 40 ALA HB2 . 31140 1 279 . 1 . 1 40 40 ALA HB3 H 1 1.452 0.034 . 1 . . . . A 40 ALA HB3 . 31140 1 280 . 1 . 1 40 40 ALA C C 13 174.749 0.001 . 1 . . . . A 40 ALA C . 31140 1 281 . 1 . 1 40 40 ALA CA C 13 51.996 0.035 . 1 . . . . A 40 ALA CA . 31140 1 282 . 1 . 1 40 40 ALA CB C 13 22.766 0.067 . 1 . . . . A 40 ALA CB . 31140 1 283 . 1 . 1 40 40 ALA N N 15 123.229 0.000 . 1 . . . . A 40 ALA N . 31140 1 284 . 1 . 1 41 41 CYS H H 1 8.305 0.006 . 1 . . . . A 41 CYS H . 31140 1 285 . 1 . 1 41 41 CYS HA H 1 4.922 0.008 . 1 . . . . A 41 CYS HA . 31140 1 286 . 1 . 1 41 41 CYS HB2 H 1 2.983 0.013 . 2 . . . . A 41 CYS HB2 . 31140 1 287 . 1 . 1 41 41 CYS HB3 H 1 2.732 0.011 . 2 . . . . A 41 CYS HB3 . 31140 1 288 . 1 . 1 41 41 CYS C C 13 173.178 0.000 . 1 . . . . A 41 CYS C . 31140 1 289 . 1 . 1 41 41 CYS CA C 13 57.856 0.051 . 1 . . . . A 41 CYS CA . 31140 1 290 . 1 . 1 41 41 CYS CB C 13 31.062 0.040 . 1 . . . . A 41 CYS CB . 31140 1 291 . 1 . 1 41 41 CYS N N 15 118.419 0.000 . 1 . . . . A 41 CYS N . 31140 1 292 . 1 . 1 42 42 GLU H H 1 8.897 0.014 . 1 . . . . A 42 GLU H . 31140 1 293 . 1 . 1 42 42 GLU HA H 1 4.385 0.010 . 1 . . . . A 42 GLU HA . 31140 1 294 . 1 . 1 42 42 GLU HB2 H 1 2.231 0.000 . 2 . . . . A 42 GLU HB2 . 31140 1 295 . 1 . 1 42 42 GLU HB3 H 1 2.008 0.033 . 2 . . . . A 42 GLU HB3 . 31140 1 296 . 1 . 1 42 42 GLU C C 13 175.940 0.010 . 1 . . . . A 42 GLU C . 31140 1 297 . 1 . 1 42 42 GLU CA C 13 57.872 0.003 . 1 . . . . A 42 GLU CA . 31140 1 298 . 1 . 1 42 42 GLU CB C 13 30.909 0.000 . 1 . . . . A 42 GLU CB . 31140 1 299 . 1 . 1 42 42 GLU CG C 13 37.056 0.000 . 1 . . . . A 42 GLU CG . 31140 1 300 . 1 . 1 42 42 GLU N N 15 123.030 0.000 . 1 . . . . A 42 GLU N . 31140 1 301 . 1 . 1 43 43 GLN H H 1 7.690 0.005 . 1 . . . . A 43 GLN H . 31140 1 302 . 1 . 1 43 43 GLN HA H 1 4.631 0.014 . 1 . . . . A 43 GLN HA . 31140 1 303 . 1 . 1 43 43 GLN HB2 H 1 1.987 0.009 . 2 . . . . A 43 GLN HB2 . 31140 1 304 . 1 . 1 43 43 GLN HB3 H 1 1.973 0.015 . 2 . . . . A 43 GLN HB3 . 31140 1 305 . 1 . 1 43 43 GLN HG2 H 1 2.385 0.006 . 2 . . . . A 43 GLN HG2 . 31140 1 306 . 1 . 1 43 43 GLN HG3 H 1 2.311 0.009 . 2 . . . . A 43 GLN HG3 . 31140 1 307 . 1 . 1 43 43 GLN C C 13 174.428 0.010 . 1 . . . . A 43 GLN C . 31140 1 308 . 1 . 1 43 43 GLN CA C 13 54.741 0.065 . 1 . . . . A 43 GLN CA . 31140 1 309 . 1 . 1 43 43 GLN CB C 13 31.621 0.083 . 1 . . . . A 43 GLN CB . 31140 1 310 . 1 . 1 43 43 GLN CG C 13 34.019 0.084 . 1 . . . . A 43 GLN CG . 31140 1 311 . 1 . 1 43 43 GLN N N 15 118.084 0.000 . 1 . . . . A 43 GLN N . 31140 1 312 . 1 . 1 44 44 GLU H H 1 8.780 0.003 . 1 . . . . A 44 GLU H . 31140 1 313 . 1 . 1 44 44 GLU HA H 1 4.236 0.011 . 1 . . . . A 44 GLU HA . 31140 1 314 . 1 . 1 44 44 GLU HB2 H 1 1.996 0.010 . 2 . . . . A 44 GLU HB2 . 31140 1 315 . 1 . 1 44 44 GLU HB3 H 1 1.989 0.006 . 2 . . . . A 44 GLU HB3 . 31140 1 316 . 1 . 1 44 44 GLU HG2 H 1 2.272 0.011 . 2 . . . . A 44 GLU HG2 . 31140 1 317 . 1 . 1 44 44 GLU HG3 H 1 2.322 0.005 . 2 . . . . A 44 GLU HG3 . 31140 1 318 . 1 . 1 44 44 GLU C C 13 177.372 0.012 . 1 . . . . A 44 GLU C . 31140 1 319 . 1 . 1 44 44 GLU CA C 13 57.005 0.084 . 1 . . . . A 44 GLU CA . 31140 1 320 . 1 . 1 44 44 GLU CB C 13 30.749 0.000 . 1 . . . . A 44 GLU CB . 31140 1 321 . 1 . 1 44 44 GLU CG C 13 36.931 0.002 . 1 . . . . A 44 GLU CG . 31140 1 322 . 1 . 1 44 44 GLU N N 15 124.189 0.000 . 1 . . . . A 44 GLU N . 31140 1 323 . 1 . 1 45 45 GLY H H 1 8.944 0.008 . 1 . . . . A 45 GLY H . 31140 1 324 . 1 . 1 45 45 GLY HA2 H 1 4.104 0.016 . 2 . . . . A 45 GLY HA2 . 31140 1 325 . 1 . 1 45 45 GLY HA3 H 1 3.774 0.010 . 2 . . . . A 45 GLY HA3 . 31140 1 326 . 1 . 1 45 45 GLY C C 13 174.322 0.000 . 1 . . . . A 45 GLY C . 31140 1 327 . 1 . 1 45 45 GLY CA C 13 46.071 0.021 . 1 . . . . A 45 GLY CA . 31140 1 328 . 1 . 1 45 45 GLY N N 15 110.714 0.184 . 1 . . . . A 45 GLY N . 31140 1 329 . 1 . 1 46 46 VAL H H 1 7.698 0.012 . 1 . . . . A 46 VAL H . 31140 1 330 . 1 . 1 46 46 VAL HA H 1 3.696 0.017 . 1 . . . . A 46 VAL HA . 31140 1 331 . 1 . 1 46 46 VAL HB H 1 1.802 0.026 . 1 . . . . A 46 VAL HB . 31140 1 332 . 1 . 1 46 46 VAL HG11 H 1 0.596 0.007 . 2 . . . . A 46 VAL HG11 . 31140 1 333 . 1 . 1 46 46 VAL HG12 H 1 0.596 0.007 . 2 . . . . A 46 VAL HG12 . 31140 1 334 . 1 . 1 46 46 VAL HG13 H 1 0.596 0.007 . 2 . . . . A 46 VAL HG13 . 31140 1 335 . 1 . 1 46 46 VAL HG21 H 1 0.793 0.010 . 2 . . . . A 46 VAL HG21 . 31140 1 336 . 1 . 1 46 46 VAL HG22 H 1 0.793 0.010 . 2 . . . . A 46 VAL HG22 . 31140 1 337 . 1 . 1 46 46 VAL HG23 H 1 0.793 0.010 . 2 . . . . A 46 VAL HG23 . 31140 1 338 . 1 . 1 46 46 VAL C C 13 178.023 0.000 . 1 . . . . A 46 VAL C . 31140 1 339 . 1 . 1 46 46 VAL CA C 13 63.752 0.022 . 1 . . . . A 46 VAL CA . 31140 1 340 . 1 . 1 46 46 VAL CB C 13 33.150 0.000 . 1 . . . . A 46 VAL CB . 31140 1 341 . 1 . 1 46 46 VAL CG1 C 13 20.670 0.041 . 1 . . . . A 46 VAL CG1 . 31140 1 342 . 1 . 1 46 46 VAL CG2 C 13 20.670 0.041 . 1 . . . . A 46 VAL CG2 . 31140 1 343 . 1 . 1 46 46 VAL N N 15 120.541 0.054 . 1 . . . . A 46 VAL N . 31140 1 344 . 1 . 1 47 47 ALA H H 1 7.931 0.013 . 1 . . . . A 47 ALA H . 31140 1 345 . 1 . 1 47 47 ALA HA H 1 4.106 0.021 . 1 . . . . A 47 ALA HA . 31140 1 346 . 1 . 1 47 47 ALA HB1 H 1 0.016 0.012 . 1 . . . . A 47 ALA HB1 . 31140 1 347 . 1 . 1 47 47 ALA HB2 H 1 0.016 0.012 . 1 . . . . A 47 ALA HB2 . 31140 1 348 . 1 . 1 47 47 ALA HB3 H 1 0.016 0.012 . 1 . . . . A 47 ALA HB3 . 31140 1 349 . 1 . 1 47 47 ALA C C 13 174.813 0.065 . 1 . . . . A 47 ALA C . 31140 1 350 . 1 . 1 47 47 ALA CA C 13 50.035 0.000 . 1 . . . . A 47 ALA CA . 31140 1 351 . 1 . 1 47 47 ALA CB C 13 20.198 0.058 . 1 . . . . A 47 ALA CB . 31140 1 352 . 1 . 1 47 47 ALA N N 15 121.172 0.000 . 1 . . . . A 47 ALA N . 31140 1 353 . 1 . 1 48 48 ASN H H 1 8.683 0.010 . 1 . . . . A 48 ASN H . 31140 1 354 . 1 . 1 48 48 ASN HA H 1 4.608 0.020 . 1 . . . . A 48 ASN HA . 31140 1 355 . 1 . 1 48 48 ASN HB2 H 1 2.765 0.022 . 2 . . . . A 48 ASN HB2 . 31140 1 356 . 1 . 1 48 48 ASN HB3 H 1 2.921 0.030 . 2 . . . . A 48 ASN HB3 . 31140 1 357 . 1 . 1 48 48 ASN HD21 H 1 6.682 0.007 . 1 . . . . A 48 ASN HD21 . 31140 1 358 . 1 . 1 48 48 ASN HD22 H 1 7.577 0.008 . 1 . . . . A 48 ASN HD22 . 31140 1 359 . 1 . 1 48 48 ASN C C 13 174.619 0.046 . 1 . . . . A 48 ASN C . 31140 1 360 . 1 . 1 48 48 ASN CA C 13 51.991 0.019 . 1 . . . . A 48 ASN CA . 31140 1 361 . 1 . 1 48 48 ASN CB C 13 40.992 0.080 . 1 . . . . A 48 ASN CB . 31140 1 362 . 1 . 1 48 48 ASN N N 15 115.737 0.000 . 1 . . . . A 48 ASN N . 31140 1 363 . 1 . 1 48 48 ASN ND2 N 15 117.199 0.007 . 1 . . . . A 48 ASN ND2 . 31140 1 364 . 1 . 1 49 49 TRP H H 1 9.187 0.007 . 1 . . . . A 49 TRP H . 31140 1 365 . 1 . 1 49 49 TRP HA H 1 4.191 0.019 . 1 . . . . A 49 TRP HA . 31140 1 366 . 1 . 1 49 49 TRP HB2 H 1 3.424 0.016 . 2 . . . . A 49 TRP HB2 . 31140 1 367 . 1 . 1 49 49 TRP HB3 H 1 3.085 0.017 . 2 . . . . A 49 TRP HB3 . 31140 1 368 . 1 . 1 49 49 TRP HD1 H 1 7.643 0.005 . 1 . . . . A 49 TRP HD1 . 31140 1 369 . 1 . 1 49 49 TRP HE1 H 1 10.238 0.011 . 1 . . . . A 49 TRP HE1 . 31140 1 370 . 1 . 1 49 49 TRP HE3 H 1 7.147 0.008 . 1 . . . . A 49 TRP HE3 . 31140 1 371 . 1 . 1 49 49 TRP HZ2 H 1 7.459 0.012 . 1 . . . . A 49 TRP HZ2 . 31140 1 372 . 1 . 1 49 49 TRP HZ3 H 1 7.167 0.001 . 1 . . . . A 49 TRP HZ3 . 31140 1 373 . 1 . 1 49 49 TRP HH2 H 1 7.150 0.000 . 1 . . . . A 49 TRP HH2 . 31140 1 374 . 1 . 1 49 49 TRP C C 13 177.296 0.010 . 1 . . . . A 49 TRP C . 31140 1 375 . 1 . 1 49 49 TRP CA C 13 60.266 0.006 . 1 . . . . A 49 TRP CA . 31140 1 376 . 1 . 1 49 49 TRP CB C 13 27.743 0.021 . 1 . . . . A 49 TRP CB . 31140 1 377 . 1 . 1 49 49 TRP CD1 C 13 127.900 0.000 . 1 . . . . A 49 TRP CD1 . 31140 1 378 . 1 . 1 49 49 TRP CZ2 C 13 114.581 0.080 . 1 . . . . A 49 TRP CZ2 . 31140 1 379 . 1 . 1 49 49 TRP CZ3 C 13 124.382 0.251 . 1 . . . . A 49 TRP CZ3 . 31140 1 380 . 1 . 1 49 49 TRP CH2 C 13 124.588 0.000 . 1 . . . . A 49 TRP CH2 . 31140 1 381 . 1 . 1 49 49 TRP N N 15 117.387 0.000 . 1 . . . . A 49 TRP N . 31140 1 382 . 1 . 1 49 49 TRP NE1 N 15 129.676 0.000 . 1 . . . . A 49 TRP NE1 . 31140 1 383 . 1 . 1 50 50 ARG H H 1 7.008 0.016 . 1 . . . . A 50 ARG H . 31140 1 384 . 1 . 1 50 50 ARG HA H 1 3.195 0.011 . 1 . . . . A 50 ARG HA . 31140 1 385 . 1 . 1 50 50 ARG HB2 H 1 1.156 0.008 . 2 . . . . A 50 ARG HB2 . 31140 1 386 . 1 . 1 50 50 ARG HB3 H 1 0.654 0.017 . 2 . . . . A 50 ARG HB3 . 31140 1 387 . 1 . 1 50 50 ARG HG2 H 1 0.284 0.008 . 2 . . . . A 50 ARG HG2 . 31140 1 388 . 1 . 1 50 50 ARG HG3 H 1 0.275 0.002 . 2 . . . . A 50 ARG HG3 . 31140 1 389 . 1 . 1 50 50 ARG HD2 H 1 2.706 0.008 . 2 . . . . A 50 ARG HD2 . 31140 1 390 . 1 . 1 50 50 ARG HD3 H 1 2.749 0.004 . 2 . . . . A 50 ARG HD3 . 31140 1 391 . 1 . 1 50 50 ARG C C 13 178.333 0.039 . 1 . . . . A 50 ARG C . 31140 1 392 . 1 . 1 50 50 ARG CA C 13 59.221 0.063 . 1 . . . . A 50 ARG CA . 31140 1 393 . 1 . 1 50 50 ARG CB C 13 29.154 0.026 . 1 . . . . A 50 ARG CB . 31140 1 394 . 1 . 1 50 50 ARG CG C 13 26.362 0.061 . 1 . . . . A 50 ARG CG . 31140 1 395 . 1 . 1 50 50 ARG CD C 13 42.764 0.032 . 1 . . . . A 50 ARG CD . 31140 1 396 . 1 . 1 50 50 ARG N N 15 124.384 0.033 . 1 . . . . A 50 ARG N . 31140 1 397 . 1 . 1 51 51 ASN H H 1 8.367 0.011 . 1 . . . . A 51 ASN H . 31140 1 398 . 1 . 1 51 51 ASN HA H 1 4.402 0.022 . 1 . . . . A 51 ASN HA . 31140 1 399 . 1 . 1 51 51 ASN HB2 H 1 2.745 0.004 . 2 . . . . A 51 ASN HB2 . 31140 1 400 . 1 . 1 51 51 ASN HB3 H 1 2.961 0.020 . 2 . . . . A 51 ASN HB3 . 31140 1 401 . 1 . 1 51 51 ASN HD21 H 1 7.094 0.010 . 1 . . . . A 51 ASN HD21 . 31140 1 402 . 1 . 1 51 51 ASN HD22 H 1 6.551 0.026 . 1 . . . . A 51 ASN HD22 . 31140 1 403 . 1 . 1 51 51 ASN C C 13 180.320 0.010 . 1 . . . . A 51 ASN C . 31140 1 404 . 1 . 1 51 51 ASN CA C 13 55.172 0.036 . 1 . . . . A 51 ASN CA . 31140 1 405 . 1 . 1 51 51 ASN CB C 13 36.312 0.022 . 1 . . . . A 51 ASN CB . 31140 1 406 . 1 . 1 51 51 ASN N N 15 119.653 0.000 . 1 . . . . A 51 ASN N . 31140 1 407 . 1 . 1 51 51 ASN ND2 N 15 106.743 0.024 . 1 . . . . A 51 ASN ND2 . 31140 1 408 . 1 . 1 52 52 ILE H H 1 8.311 0.009 . 1 . . . . A 52 ILE H . 31140 1 409 . 1 . 1 52 52 ILE HA H 1 3.746 0.011 . 1 . . . . A 52 ILE HA . 31140 1 410 . 1 . 1 52 52 ILE HB H 1 1.657 0.020 . 1 . . . . A 52 ILE HB . 31140 1 411 . 1 . 1 52 52 ILE HG12 H 1 0.657 0.021 . 2 . . . . A 52 ILE HG12 . 31140 1 412 . 1 . 1 52 52 ILE HG13 H 1 1.159 0.001 . 2 . . . . A 52 ILE HG13 . 31140 1 413 . 1 . 1 52 52 ILE HG21 H 1 0.597 0.013 . 1 . . . . A 52 ILE HG21 . 31140 1 414 . 1 . 1 52 52 ILE HG22 H 1 0.597 0.013 . 1 . . . . A 52 ILE HG22 . 31140 1 415 . 1 . 1 52 52 ILE HG23 H 1 0.597 0.013 . 1 . . . . A 52 ILE HG23 . 31140 1 416 . 1 . 1 52 52 ILE HD11 H 1 0.278 0.008 . 1 . . . . A 52 ILE HD11 . 31140 1 417 . 1 . 1 52 52 ILE HD12 H 1 0.278 0.008 . 1 . . . . A 52 ILE HD12 . 31140 1 418 . 1 . 1 52 52 ILE HD13 H 1 0.278 0.008 . 1 . . . . A 52 ILE HD13 . 31140 1 419 . 1 . 1 52 52 ILE C C 13 176.686 0.000 . 1 . . . . A 52 ILE C . 31140 1 420 . 1 . 1 52 52 ILE CA C 13 65.740 0.010 . 1 . . . . A 52 ILE CA . 31140 1 421 . 1 . 1 52 52 ILE CB C 13 37.311 0.027 . 1 . . . . A 52 ILE CB . 31140 1 422 . 1 . 1 52 52 ILE CG1 C 13 29.920 0.023 . 1 . . . . A 52 ILE CG1 . 31140 1 423 . 1 . 1 52 52 ILE CG2 C 13 16.900 0.044 . 1 . . . . A 52 ILE CG2 . 31140 1 424 . 1 . 1 52 52 ILE CD1 C 13 14.850 0.045 . 1 . . . . A 52 ILE CD1 . 31140 1 425 . 1 . 1 52 52 ILE N N 15 124.534 0.000 . 1 . . . . A 52 ILE N . 31140 1 426 . 1 . 1 53 53 THR H H 1 7.579 0.010 . 1 . . . . A 53 THR H . 31140 1 427 . 1 . 1 53 53 THR HA H 1 4.460 0.029 . 1 . . . . A 53 THR HA . 31140 1 428 . 1 . 1 53 53 THR HB H 1 3.645 0.006 . 1 . . . . A 53 THR HB . 31140 1 429 . 1 . 1 53 53 THR HG21 H 1 1.405 0.007 . 1 . . . . A 53 THR HG21 . 31140 1 430 . 1 . 1 53 53 THR HG22 H 1 1.405 0.007 . 1 . . . . A 53 THR HG22 . 31140 1 431 . 1 . 1 53 53 THR HG23 H 1 1.405 0.007 . 1 . . . . A 53 THR HG23 . 31140 1 432 . 1 . 1 53 53 THR C C 13 177.165 0.000 . 1 . . . . A 53 THR C . 31140 1 433 . 1 . 1 53 53 THR CA C 13 68.800 0.068 . 1 . . . . A 53 THR CA . 31140 1 434 . 1 . 1 53 53 THR CB C 13 68.595 0.097 . 1 . . . . A 53 THR CB . 31140 1 435 . 1 . 1 53 53 THR CG2 C 13 21.347 0.046 . 1 . . . . A 53 THR CG2 . 31140 1 436 . 1 . 1 53 53 THR N N 15 117.555 0.072 . 1 . . . . A 53 THR N . 31140 1 437 . 1 . 1 54 54 GLU H H 1 8.003 0.008 . 1 . . . . A 54 GLU H . 31140 1 438 . 1 . 1 54 54 GLU HA H 1 4.059 0.029 . 1 . . . . A 54 GLU HA . 31140 1 439 . 1 . 1 54 54 GLU HB2 H 1 1.969 0.009 . 2 . . . . A 54 GLU HB2 . 31140 1 440 . 1 . 1 54 54 GLU HB3 H 1 1.951 0.016 . 2 . . . . A 54 GLU HB3 . 31140 1 441 . 1 . 1 54 54 GLU HG2 H 1 2.167 0.015 . 2 . . . . A 54 GLU HG2 . 31140 1 442 . 1 . 1 54 54 GLU HG3 H 1 2.289 0.025 . 2 . . . . A 54 GLU HG3 . 31140 1 443 . 1 . 1 54 54 GLU C C 13 177.926 0.000 . 1 . . . . A 54 GLU C . 31140 1 444 . 1 . 1 54 54 GLU CA C 13 59.189 0.054 . 1 . . . . A 54 GLU CA . 31140 1 445 . 1 . 1 54 54 GLU CB C 13 29.888 0.082 . 1 . . . . A 54 GLU CB . 31140 1 446 . 1 . 1 54 54 GLU N N 15 120.812 0.000 . 1 . . . . A 54 GLU N . 31140 1 447 . 1 . 1 55 55 ALA H H 1 8.252 0.013 . 1 . . . . A 55 ALA H . 31140 1 448 . 1 . 1 55 55 ALA HA H 1 4.172 0.019 . 1 . . . . A 55 ALA HA . 31140 1 449 . 1 . 1 55 55 ALA HB1 H 1 1.400 0.029 . 1 . . . . A 55 ALA HB1 . 31140 1 450 . 1 . 1 55 55 ALA HB2 H 1 1.400 0.029 . 1 . . . . A 55 ALA HB2 . 31140 1 451 . 1 . 1 55 55 ALA HB3 H 1 1.400 0.029 . 1 . . . . A 55 ALA HB3 . 31140 1 452 . 1 . 1 55 55 ALA C C 13 179.777 0.029 . 1 . . . . A 55 ALA C . 31140 1 453 . 1 . 1 55 55 ALA CA C 13 55.037 0.070 . 1 . . . . A 55 ALA CA . 31140 1 454 . 1 . 1 55 55 ALA CB C 13 19.756 0.063 . 1 . . . . A 55 ALA CB . 31140 1 455 . 1 . 1 55 55 ALA N N 15 122.849 0.000 . 1 . . . . A 55 ALA N . 31140 1 456 . 1 . 1 56 56 LEU H H 1 8.579 0.012 . 1 . . . . A 56 LEU H . 31140 1 457 . 1 . 1 56 56 LEU HA H 1 3.641 0.017 . 1 . . . . A 56 LEU HA . 31140 1 458 . 1 . 1 56 56 LEU HB2 H 1 1.071 0.016 . 2 . . . . A 56 LEU HB2 . 31140 1 459 . 1 . 1 56 56 LEU HB3 H 1 0.943 0.009 . 2 . . . . A 56 LEU HB3 . 31140 1 460 . 1 . 1 56 56 LEU HG H 1 1.322 0.004 . 1 . . . . A 56 LEU HG . 31140 1 461 . 1 . 1 56 56 LEU HD11 H 1 -0.409 0.007 . 2 . . . . A 56 LEU HD11 . 31140 1 462 . 1 . 1 56 56 LEU HD12 H 1 -0.409 0.007 . 2 . . . . A 56 LEU HD12 . 31140 1 463 . 1 . 1 56 56 LEU HD13 H 1 -0.409 0.007 . 2 . . . . A 56 LEU HD13 . 31140 1 464 . 1 . 1 56 56 LEU HD21 H 1 0.139 0.008 . 2 . . . . A 56 LEU HD21 . 31140 1 465 . 1 . 1 56 56 LEU HD22 H 1 0.139 0.008 . 2 . . . . A 56 LEU HD22 . 31140 1 466 . 1 . 1 56 56 LEU HD23 H 1 0.139 0.008 . 2 . . . . A 56 LEU HD23 . 31140 1 467 . 1 . 1 56 56 LEU C C 13 179.167 0.000 . 1 . . . . A 56 LEU C . 31140 1 468 . 1 . 1 56 56 LEU CA C 13 58.637 0.019 . 1 . . . . A 56 LEU CA . 31140 1 469 . 1 . 1 56 56 LEU CB C 13 41.740 0.035 . 1 . . . . A 56 LEU CB . 31140 1 470 . 1 . 1 56 56 LEU CG C 13 26.756 0.048 . 1 . . . . A 56 LEU CG . 31140 1 471 . 1 . 1 56 56 LEU CD1 C 13 24.617 0.006 . 2 . . . . A 56 LEU CD1 . 31140 1 472 . 1 . 1 56 56 LEU CD2 C 13 24.147 0.037 . 2 . . . . A 56 LEU CD2 . 31140 1 473 . 1 . 1 56 56 LEU N N 15 120.161 0.101 . 1 . . . . A 56 LEU N . 31140 1 474 . 1 . 1 57 57 LEU H H 1 7.033 0.016 . 1 . . . . A 57 LEU H . 31140 1 475 . 1 . 1 57 57 LEU HA H 1 4.161 0.010 . 1 . . . . A 57 LEU HA . 31140 1 476 . 1 . 1 57 57 LEU HB2 H 1 1.934 0.006 . 2 . . . . A 57 LEU HB2 . 31140 1 477 . 1 . 1 57 57 LEU HB3 H 1 1.471 0.010 . 2 . . . . A 57 LEU HB3 . 31140 1 478 . 1 . 1 57 57 LEU HG H 1 1.465 0.000 . 1 . . . . A 57 LEU HG . 31140 1 479 . 1 . 1 57 57 LEU HD11 H 1 0.496 0.010 . 2 . . . . A 57 LEU HD11 . 31140 1 480 . 1 . 1 57 57 LEU HD12 H 1 0.496 0.010 . 2 . . . . A 57 LEU HD12 . 31140 1 481 . 1 . 1 57 57 LEU HD13 H 1 0.496 0.010 . 2 . . . . A 57 LEU HD13 . 31140 1 482 . 1 . 1 57 57 LEU HD21 H 1 0.808 0.009 . 2 . . . . A 57 LEU HD21 . 31140 1 483 . 1 . 1 57 57 LEU HD22 H 1 0.808 0.009 . 2 . . . . A 57 LEU HD22 . 31140 1 484 . 1 . 1 57 57 LEU HD23 H 1 0.808 0.009 . 2 . . . . A 57 LEU HD23 . 31140 1 485 . 1 . 1 57 57 LEU C C 13 179.457 0.000 . 1 . . . . A 57 LEU C . 31140 1 486 . 1 . 1 57 57 LEU CA C 13 57.836 0.039 . 1 . . . . A 57 LEU CA . 31140 1 487 . 1 . 1 57 57 LEU CB C 13 41.997 0.021 . 1 . . . . A 57 LEU CB . 31140 1 488 . 1 . 1 57 57 LEU CD1 C 13 22.912 0.006 . 2 . . . . A 57 LEU CD1 . 31140 1 489 . 1 . 1 57 57 LEU CD2 C 13 25.415 0.029 . 2 . . . . A 57 LEU CD2 . 31140 1 490 . 1 . 1 57 57 LEU N N 15 120.076 0.049 . 1 . . . . A 57 LEU N . 31140 1 491 . 1 . 1 58 58 LYS H H 1 8.534 0.010 . 1 . . . . A 58 LYS H . 31140 1 492 . 1 . 1 58 58 LYS HA H 1 3.974 0.012 . 1 . . . . A 58 LYS HA . 31140 1 493 . 1 . 1 58 58 LYS HB2 H 1 1.799 0.001 . 2 . . . . A 58 LYS HB2 . 31140 1 494 . 1 . 1 58 58 LYS HB3 H 1 1.827 0.024 . 2 . . . . A 58 LYS HB3 . 31140 1 495 . 1 . 1 58 58 LYS HG2 H 1 1.495 0.022 . 2 . . . . A 58 LYS HG2 . 31140 1 496 . 1 . 1 58 58 LYS HG3 H 1 1.369 0.001 . 2 . . . . A 58 LYS HG3 . 31140 1 497 . 1 . 1 58 58 LYS HD2 H 1 1.679 0.004 . 2 . . . . A 58 LYS HD2 . 31140 1 498 . 1 . 1 58 58 LYS HD3 H 1 1.711 0.000 . 2 . . . . A 58 LYS HD3 . 31140 1 499 . 1 . 1 58 58 LYS HE2 H 1 2.909 0.004 . 2 . . . . A 58 LYS HE2 . 31140 1 500 . 1 . 1 58 58 LYS HE3 H 1 2.922 0.000 . 2 . . . . A 58 LYS HE3 . 31140 1 501 . 1 . 1 58 58 LYS C C 13 178.537 0.029 . 1 . . . . A 58 LYS C . 31140 1 502 . 1 . 1 58 58 LYS CA C 13 59.395 0.070 . 1 . . . . A 58 LYS CA . 31140 1 503 . 1 . 1 58 58 LYS CB C 13 33.058 0.011 . 1 . . . . A 58 LYS CB . 31140 1 504 . 1 . 1 58 58 LYS CG C 13 25.493 0.054 . 1 . . . . A 58 LYS CG . 31140 1 505 . 1 . 1 58 58 LYS CD C 13 29.528 0.055 . 1 . . . . A 58 LYS CD . 31140 1 506 . 1 . 1 58 58 LYS CE C 13 42.192 0.046 . 1 . . . . A 58 LYS CE . 31140 1 507 . 1 . 1 58 58 LYS N N 15 118.962 0.000 . 1 . . . . A 58 LYS N . 31140 1 508 . 1 . 1 59 59 GLN H H 1 9.136 0.012 . 1 . . . . A 59 GLN H . 31140 1 509 . 1 . 1 59 59 GLN HA H 1 4.097 0.011 . 1 . . . . A 59 GLN HA . 31140 1 510 . 1 . 1 59 59 GLN HB2 H 1 1.609 0.024 . 2 . . . . A 59 GLN HB2 . 31140 1 511 . 1 . 1 59 59 GLN HB3 H 1 1.807 0.021 . 2 . . . . A 59 GLN HB3 . 31140 1 512 . 1 . 1 59 59 GLN HG2 H 1 2.126 0.017 . 2 . . . . A 59 GLN HG2 . 31140 1 513 . 1 . 1 59 59 GLN HG3 H 1 2.343 0.007 . 2 . . . . A 59 GLN HG3 . 31140 1 514 . 1 . 1 59 59 GLN HE21 H 1 7.205 0.007 . 1 . . . . A 59 GLN HE21 . 31140 1 515 . 1 . 1 59 59 GLN HE22 H 1 7.605 0.006 . 1 . . . . A 59 GLN HE22 . 31140 1 516 . 1 . 1 59 59 GLN C C 13 177.238 0.010 . 1 . . . . A 59 GLN C . 31140 1 517 . 1 . 1 59 59 GLN CA C 13 57.575 0.066 . 1 . . . . A 59 GLN CA . 31140 1 518 . 1 . 1 59 59 GLN CB C 13 28.271 0.021 . 1 . . . . A 59 GLN CB . 31140 1 519 . 1 . 1 59 59 GLN CG C 13 34.172 0.023 . 1 . . . . A 59 GLN CG . 31140 1 520 . 1 . 1 59 59 GLN N N 15 114.424 0.000 . 1 . . . . A 59 GLN N . 31140 1 521 . 1 . 1 59 59 GLN NE2 N 15 111.519 0.004 . 1 . . . . A 59 GLN NE2 . 31140 1 522 . 1 . 1 60 60 HIS H H 1 6.846 0.012 . 1 . . . . A 60 HIS H . 31140 1 523 . 1 . 1 60 60 HIS HA H 1 3.496 0.001 . 1 . . . . A 60 HIS HA . 31140 1 524 . 1 . 1 60 60 HIS HB2 H 1 2.873 0.004 . 2 . . . . A 60 HIS HB2 . 31140 1 525 . 1 . 1 60 60 HIS HB3 H 1 3.242 0.003 . 2 . . . . A 60 HIS HB3 . 31140 1 526 . 1 . 1 60 60 HIS HD2 H 1 6.445 0.016 . 1 . . . . A 60 HIS HD2 . 31140 1 527 . 1 . 1 60 60 HIS C C 13 174.050 0.039 . 1 . . . . A 60 HIS C . 31140 1 528 . 1 . 1 60 60 HIS CB C 13 34.295 0.000 . 1 . . . . A 60 HIS CB . 31140 1 529 . 1 . 1 60 60 HIS CD2 C 13 116.977 0.034 . 1 . . . . A 60 HIS CD2 . 31140 1 530 . 1 . 1 60 60 HIS N N 15 112.855 0.109 . 1 . . . . A 60 HIS N . 31140 1 531 . 1 . 1 61 61 ASN H H 1 7.724 0.005 . 1 . . . . A 61 ASN H . 31140 1 532 . 1 . 1 61 61 ASN HA H 1 4.806 0.022 . 1 . . . . A 61 ASN HA . 31140 1 533 . 1 . 1 61 61 ASN HB2 H 1 3.242 0.014 . 2 . . . . A 61 ASN HB2 . 31140 1 534 . 1 . 1 61 61 ASN HB3 H 1 2.600 0.011 . 2 . . . . A 61 ASN HB3 . 31140 1 535 . 1 . 1 61 61 ASN HD21 H 1 7.550 0.010 . 1 . . . . A 61 ASN HD21 . 31140 1 536 . 1 . 1 61 61 ASN HD22 H 1 6.756 0.022 . 1 . . . . A 61 ASN HD22 . 31140 1 537 . 1 . 1 61 61 ASN C C 13 174.680 0.010 . 1 . . . . A 61 ASN C . 31140 1 538 . 1 . 1 61 61 ASN CA C 13 54.437 0.032 . 1 . . . . A 61 ASN CA . 31140 1 539 . 1 . 1 61 61 ASN CB C 13 37.934 0.000 . 1 . . . . A 61 ASN CB . 31140 1 540 . 1 . 1 61 61 ASN N N 15 117.480 0.000 . 1 . . . . A 61 ASN N . 31140 1 541 . 1 . 1 61 61 ASN ND2 N 15 111.485 0.016 . 1 . . . . A 61 ASN ND2 . 31140 1 542 . 1 . 1 62 62 VAL H H 1 7.379 0.007 . 1 . . . . A 62 VAL H . 31140 1 543 . 1 . 1 62 62 VAL HA H 1 4.705 0.007 . 1 . . . . A 62 VAL HA . 31140 1 544 . 1 . 1 62 62 VAL HB H 1 1.936 0.014 . 1 . . . . A 62 VAL HB . 31140 1 545 . 1 . 1 62 62 VAL HG11 H 1 0.653 0.013 . 2 . . . . A 62 VAL HG11 . 31140 1 546 . 1 . 1 62 62 VAL HG12 H 1 0.653 0.013 . 2 . . . . A 62 VAL HG12 . 31140 1 547 . 1 . 1 62 62 VAL HG13 H 1 0.653 0.013 . 2 . . . . A 62 VAL HG13 . 31140 1 548 . 1 . 1 62 62 VAL HG21 H 1 0.863 0.010 . 2 . . . . A 62 VAL HG21 . 31140 1 549 . 1 . 1 62 62 VAL HG22 H 1 0.863 0.010 . 2 . . . . A 62 VAL HG22 . 31140 1 550 . 1 . 1 62 62 VAL HG23 H 1 0.863 0.010 . 2 . . . . A 62 VAL HG23 . 31140 1 551 . 1 . 1 62 62 VAL C C 13 174.263 0.000 . 1 . . . . A 62 VAL C . 31140 1 552 . 1 . 1 62 62 VAL CA C 13 59.385 0.000 . 1 . . . . A 62 VAL CA . 31140 1 553 . 1 . 1 62 62 VAL CB C 13 34.581 0.020 . 1 . . . . A 62 VAL CB . 31140 1 554 . 1 . 1 62 62 VAL CG1 C 13 21.041 0.000 . 2 . . . . A 62 VAL CG1 . 31140 1 555 . 1 . 1 62 62 VAL CG2 C 13 22.410 0.000 . 2 . . . . A 62 VAL CG2 . 31140 1 556 . 1 . 1 62 62 VAL N N 15 110.010 0.000 . 1 . . . . A 62 VAL N . 31140 1 557 . 1 . 1 63 63 HIS H H 1 8.826 0.009 . 1 . . . . A 63 HIS H . 31140 1 558 . 1 . 1 63 63 HIS HA H 1 4.481 0.012 . 1 . . . . A 63 HIS HA . 31140 1 559 . 1 . 1 63 63 HIS HB2 H 1 3.019 0.015 . 2 . . . . A 63 HIS HB2 . 31140 1 560 . 1 . 1 63 63 HIS HB3 H 1 3.926 0.000 . 2 . . . . A 63 HIS HB3 . 31140 1 561 . 1 . 1 63 63 HIS HD1 H 1 8.715 0.016 . 1 . . . . A 63 HIS HD1 . 31140 1 562 . 1 . 1 63 63 HIS HD2 H 1 6.962 0.017 . 1 . . . . A 63 HIS HD2 . 31140 1 563 . 1 . 1 63 63 HIS C C 13 172.808 0.000 . 1 . . . . A 63 HIS C . 31140 1 564 . 1 . 1 63 63 HIS CA C 13 54.501 0.020 . 1 . . . . A 63 HIS CA . 31140 1 565 . 1 . 1 63 63 HIS CB C 13 31.167 0.045 . 1 . . . . A 63 HIS CB . 31140 1 566 . 1 . 1 63 63 HIS CD2 C 13 119.759 0.076 . 1 . . . . A 63 HIS CD2 . 31140 1 567 . 1 . 1 63 63 HIS N N 15 123.131 0.103 . 1 . . . . A 63 HIS N . 31140 1 568 . 1 . 1 64 64 ALA H H 1 8.048 0.009 . 1 . . . . A 64 ALA H . 31140 1 569 . 1 . 1 64 64 ALA HA H 1 5.656 0.009 . 1 . . . . A 64 ALA HA . 31140 1 570 . 1 . 1 64 64 ALA HB1 H 1 1.314 0.024 . 1 . . . . A 64 ALA HB1 . 31140 1 571 . 1 . 1 64 64 ALA HB2 H 1 1.314 0.024 . 1 . . . . A 64 ALA HB2 . 31140 1 572 . 1 . 1 64 64 ALA HB3 H 1 1.314 0.024 . 1 . . . . A 64 ALA HB3 . 31140 1 573 . 1 . 1 64 64 ALA C C 13 175.872 0.000 . 1 . . . . A 64 ALA C . 31140 1 574 . 1 . 1 64 64 ALA CA C 13 48.161 0.042 . 1 . . . . A 64 ALA CA . 31140 1 575 . 1 . 1 64 64 ALA CB C 13 19.844 0.080 . 1 . . . . A 64 ALA CB . 31140 1 576 . 1 . 1 64 64 ALA N N 15 128.647 0.000 . 1 . . . . A 64 ALA N . 31140 1 577 . 1 . 1 65 65 PRO HA H 1 4.489 0.011 . 1 . . . . A 65 PRO HA . 31140 1 578 . 1 . 1 65 65 PRO HB2 H 1 1.696 0.014 . 2 . . . . A 65 PRO HB2 . 31140 1 579 . 1 . 1 65 65 PRO HB3 H 1 1.806 0.024 . 2 . . . . A 65 PRO HB3 . 31140 1 580 . 1 . 1 65 65 PRO HG2 H 1 1.975 0.004 . 2 . . . . A 65 PRO HG2 . 31140 1 581 . 1 . 1 65 65 PRO HG3 H 1 2.045 0.000 . 2 . . . . A 65 PRO HG3 . 31140 1 582 . 1 . 1 65 65 PRO HD2 H 1 4.684 0.020 . 2 . . . . A 65 PRO HD2 . 31140 1 583 . 1 . 1 65 65 PRO HD3 H 1 4.063 0.011 . 2 . . . . A 65 PRO HD3 . 31140 1 584 . 1 . 1 65 65 PRO C C 13 173.893 0.000 . 1 . . . . A 65 PRO C . 31140 1 585 . 1 . 1 65 65 PRO CA C 13 63.400 0.032 . 1 . . . . A 65 PRO CA . 31140 1 586 . 1 . 1 65 65 PRO CB C 13 32.112 0.011 . 1 . . . . A 65 PRO CB . 31140 1 587 . 1 . 1 65 65 PRO CG C 13 27.642 0.069 . 1 . . . . A 65 PRO CG . 31140 1 588 . 1 . 1 65 65 PRO CD C 13 50.833 0.058 . 1 . . . . A 65 PRO CD . 31140 1 589 . 1 . 1 66 66 TYR H H 1 6.651 0.007 . 1 . . . . A 66 TYR H . 31140 1 590 . 1 . 1 66 66 TYR HA H 1 4.473 0.009 . 1 . . . . A 66 TYR HA . 31140 1 591 . 1 . 1 66 66 TYR HB2 H 1 2.611 0.018 . 2 . . . . A 66 TYR HB2 . 31140 1 592 . 1 . 1 66 66 TYR HB3 H 1 2.681 0.001 . 2 . . . . A 66 TYR HB3 . 31140 1 593 . 1 . 1 66 66 TYR HD1 H 1 7.116 0.006 . 1 . . . . A 66 TYR HD1 . 31140 1 594 . 1 . 1 66 66 TYR HD2 H 1 7.116 0.006 . 1 . . . . A 66 TYR HD2 . 31140 1 595 . 1 . 1 66 66 TYR HE1 H 1 6.693 0.005 . 1 . . . . A 66 TYR HE1 . 31140 1 596 . 1 . 1 66 66 TYR HE2 H 1 6.693 0.005 . 1 . . . . A 66 TYR HE2 . 31140 1 597 . 1 . 1 66 66 TYR C C 13 173.885 0.048 . 1 . . . . A 66 TYR C . 31140 1 598 . 1 . 1 66 66 TYR CA C 13 57.080 0.034 . 1 . . . . A 66 TYR CA . 31140 1 599 . 1 . 1 66 66 TYR CB C 13 42.136 0.025 . 1 . . . . A 66 TYR CB . 31140 1 600 . 1 . 1 66 66 TYR CD1 C 13 132.833 0.000 . 1 . . . . A 66 TYR CD1 . 31140 1 601 . 1 . 1 66 66 TYR CD2 C 13 132.833 0.000 . 1 . . . . A 66 TYR CD2 . 31140 1 602 . 1 . 1 66 66 TYR CE1 C 13 118.166 0.085 . 1 . . . . A 66 TYR CE1 . 31140 1 603 . 1 . 1 66 66 TYR CE2 C 13 118.166 0.085 . 1 . . . . A 66 TYR CE2 . 31140 1 604 . 1 . 1 66 66 TYR N N 15 112.608 0.142 . 1 . . . . A 66 TYR N . 31140 1 605 . 1 . 1 67 67 CYS H H 1 7.830 0.007 . 1 . . . . A 67 CYS H . 31140 1 606 . 1 . 1 67 67 CYS HB2 H 1 2.914 0.012 . 2 . . . . A 67 CYS HB2 . 31140 1 607 . 1 . 1 67 67 CYS HB3 H 1 2.837 0.029 . 2 . . . . A 67 CYS HB3 . 31140 1 608 . 1 . 1 67 67 CYS C C 13 170.610 0.029 . 1 . . . . A 67 CYS C . 31140 1 609 . 1 . 1 67 67 CYS CA C 13 56.451 0.035 . 1 . . . . A 67 CYS CA . 31140 1 610 . 1 . 1 67 67 CYS CB C 13 29.268 0.060 . 1 . . . . A 67 CYS CB . 31140 1 611 . 1 . 1 67 67 CYS N N 15 127.654 0.007 . 1 . . . . A 67 CYS N . 31140 1 612 . 1 . 1 68 68 ARG H H 1 9.155 0.010 . 1 . . . . A 68 ARG H . 31140 1 613 . 1 . 1 68 68 ARG HA H 1 5.042 0.003 . 1 . . . . A 68 ARG HA . 31140 1 614 . 1 . 1 68 68 ARG C C 13 175.730 0.010 . 1 . . . . A 68 ARG C . 31140 1 615 . 1 . 1 68 68 ARG CA C 13 54.174 0.057 . 1 . . . . A 68 ARG CA . 31140 1 616 . 1 . 1 68 68 ARG CB C 13 33.354 0.049 . 1 . . . . A 68 ARG CB . 31140 1 617 . 1 . 1 68 68 ARG N N 15 122.246 0.000 . 1 . . . . A 68 ARG N . 31140 1 618 . 1 . 1 69 69 PHE H H 1 9.478 0.006 . 1 . . . . A 69 PHE H . 31140 1 619 . 1 . 1 69 69 PHE HA H 1 4.330 0.006 . 1 . . . . A 69 PHE HA . 31140 1 620 . 1 . 1 69 69 PHE HB2 H 1 2.566 0.017 . 2 . . . . A 69 PHE HB2 . 31140 1 621 . 1 . 1 69 69 PHE HB3 H 1 2.966 0.014 . 2 . . . . A 69 PHE HB3 . 31140 1 622 . 1 . 1 69 69 PHE HD1 H 1 6.966 0.011 . 1 . . . . A 69 PHE HD1 . 31140 1 623 . 1 . 1 69 69 PHE HD2 H 1 6.966 0.011 . 1 . . . . A 69 PHE HD2 . 31140 1 624 . 1 . 1 69 69 PHE HE1 H 1 6.968 0.002 . 1 . . . . A 69 PHE HE1 . 31140 1 625 . 1 . 1 69 69 PHE HE2 H 1 6.968 0.002 . 1 . . . . A 69 PHE HE2 . 31140 1 626 . 1 . 1 69 69 PHE C C 13 173.518 0.000 . 1 . . . . A 69 PHE C . 31140 1 627 . 1 . 1 69 69 PHE CA C 13 60.673 0.034 . 1 . . . . A 69 PHE CA . 31140 1 628 . 1 . 1 69 69 PHE CB C 13 42.827 0.031 . 1 . . . . A 69 PHE CB . 31140 1 629 . 1 . 1 69 69 PHE CD1 C 13 132.524 0.047 . 1 . . . . A 69 PHE CD1 . 31140 1 630 . 1 . 1 69 69 PHE CD2 C 13 132.524 0.047 . 1 . . . . A 69 PHE CD2 . 31140 1 631 . 1 . 1 69 69 PHE CE1 C 13 130.511 0.025 . 1 . . . . A 69 PHE CE1 . 31140 1 632 . 1 . 1 69 69 PHE CE2 C 13 130.511 0.025 . 1 . . . . A 69 PHE CE2 . 31140 1 633 . 1 . 1 69 69 PHE N N 15 125.348 0.004 . 1 . . . . A 69 PHE N . 31140 1 634 . 1 . 1 70 70 GLY H H 1 8.648 0.012 . 1 . . . . A 70 GLY H . 31140 1 635 . 1 . 1 70 70 GLY HA2 H 1 3.412 0.014 . 2 . . . . A 70 GLY HA2 . 31140 1 636 . 1 . 1 70 70 GLY HA3 H 1 4.514 0.007 . 2 . . . . A 70 GLY HA3 . 31140 1 637 . 1 . 1 70 70 GLY C C 13 172.147 0.000 . 1 . . . . A 70 GLY C . 31140 1 638 . 1 . 1 70 70 GLY CA C 13 45.065 0.052 . 1 . . . . A 70 GLY CA . 31140 1 639 . 1 . 1 70 70 GLY N N 15 118.087 0.083 . 1 . . . . A 70 GLY N . 31140 1 640 . 1 . 1 71 71 LYS H H 1 8.970 0.009 . 1 . . . . A 71 LYS H . 31140 1 641 . 1 . 1 71 71 LYS C C 13 176.632 0.000 . 1 . . . . A 71 LYS C . 31140 1 642 . 1 . 1 71 71 LYS CA C 13 58.454 0.053 . 1 . . . . A 71 LYS CA . 31140 1 643 . 1 . 1 71 71 LYS N N 15 128.407 0.005 . 1 . . . . A 71 LYS N . 31140 1 644 . 1 . 1 72 72 LEU H H 1 8.023 0.007 . 1 . . . . A 72 LEU H . 31140 1 645 . 1 . 1 72 72 LEU HA H 1 4.515 0.005 . 1 . . . . A 72 LEU HA . 31140 1 646 . 1 . 1 72 72 LEU HD11 H 1 0.925 0.013 . 2 . . . . A 72 LEU HD11 . 31140 1 647 . 1 . 1 72 72 LEU HD12 H 1 0.925 0.013 . 2 . . . . A 72 LEU HD12 . 31140 1 648 . 1 . 1 72 72 LEU HD13 H 1 0.925 0.013 . 2 . . . . A 72 LEU HD13 . 31140 1 649 . 1 . 1 72 72 LEU HD21 H 1 0.811 0.003 . 2 . . . . A 72 LEU HD21 . 31140 1 650 . 1 . 1 72 72 LEU HD22 H 1 0.811 0.003 . 2 . . . . A 72 LEU HD22 . 31140 1 651 . 1 . 1 72 72 LEU HD23 H 1 0.811 0.003 . 2 . . . . A 72 LEU HD23 . 31140 1 652 . 1 . 1 72 72 LEU C C 13 172.765 0.000 . 1 . . . . A 72 LEU C . 31140 1 653 . 1 . 1 72 72 LEU CA C 13 54.825 0.005 . 1 . . . . A 72 LEU CA . 31140 1 654 . 1 . 1 72 72 LEU CB C 13 42.580 0.000 . 1 . . . . A 72 LEU CB . 31140 1 655 . 1 . 1 72 72 LEU CD1 C 13 26.075 0.073 . 1 . . . . A 72 LEU CD1 . 31140 1 656 . 1 . 1 72 72 LEU N N 15 114.009 0.085 . 1 . . . . A 72 LEU N . 31140 1 657 . 1 . 1 73 73 GLU H H 1 6.632 0.012 . 1 . . . . A 73 GLU H . 31140 1 658 . 1 . 1 73 73 GLU HA H 1 5.073 0.009 . 1 . . . . A 73 GLU HA . 31140 1 659 . 1 . 1 73 73 GLU HB2 H 1 2.268 0.017 . 1 . . . . A 73 GLU HB2 . 31140 1 660 . 1 . 1 73 73 GLU HG2 H 1 2.415 0.014 . 2 . . . . A 73 GLU HG2 . 31140 1 661 . 1 . 1 73 73 GLU HG3 H 1 1.826 0.009 . 2 . . . . A 73 GLU HG3 . 31140 1 662 . 1 . 1 73 73 GLU C C 13 172.810 0.000 . 1 . . . . A 73 GLU C . 31140 1 663 . 1 . 1 73 73 GLU CA C 13 52.559 0.066 . 1 . . . . A 73 GLU CA . 31140 1 664 . 1 . 1 73 73 GLU CB C 13 31.499 0.077 . 1 . . . . A 73 GLU CB . 31140 1 665 . 1 . 1 73 73 GLU CG C 13 33.289 0.059 . 1 . . . . A 73 GLU CG . 31140 1 666 . 1 . 1 73 73 GLU N N 15 115.196 0.100 . 1 . . . . A 73 GLU N . 31140 1 667 . 1 . 1 74 74 GLY H H 1 8.275 0.011 . 1 . . . . A 74 GLY H . 31140 1 668 . 1 . 1 74 74 GLY HA2 H 1 4.100 0.028 . 2 . . . . A 74 GLY HA2 . 31140 1 669 . 1 . 1 74 74 GLY HA3 H 1 4.205 0.010 . 2 . . . . A 74 GLY HA3 . 31140 1 670 . 1 . 1 74 74 GLY C C 13 174.554 0.000 . 1 . . . . A 74 GLY C . 31140 1 671 . 1 . 1 74 74 GLY CA C 13 46.391 0.083 . 1 . . . . A 74 GLY CA . 31140 1 672 . 1 . 1 74 74 GLY N N 15 107.758 0.000 . 1 . . . . A 74 GLY N . 31140 1 673 . 1 . 1 75 75 ASN H H 1 8.366 0.005 . 1 . . . . A 75 ASN H . 31140 1 674 . 1 . 1 75 75 ASN HA H 1 6.102 0.007 . 1 . . . . A 75 ASN HA . 31140 1 675 . 1 . 1 75 75 ASN HB2 H 1 2.049 0.008 . 2 . . . . A 75 ASN HB2 . 31140 1 676 . 1 . 1 75 75 ASN HB3 H 1 2.429 0.014 . 2 . . . . A 75 ASN HB3 . 31140 1 677 . 1 . 1 75 75 ASN HD21 H 1 7.240 0.013 . 1 . . . . A 75 ASN HD21 . 31140 1 678 . 1 . 1 75 75 ASN HD22 H 1 6.483 0.017 . 1 . . . . A 75 ASN HD22 . 31140 1 679 . 1 . 1 75 75 ASN C C 13 174.089 0.000 . 1 . . . . A 75 ASN C . 31140 1 680 . 1 . 1 75 75 ASN CA C 13 53.714 0.056 . 1 . . . . A 75 ASN CA . 31140 1 681 . 1 . 1 75 75 ASN CB C 13 47.701 0.034 . 1 . . . . A 75 ASN CB . 31140 1 682 . 1 . 1 75 75 ASN N N 15 115.027 0.000 . 1 . . . . A 75 ASN N . 31140 1 683 . 1 . 1 75 75 ASN ND2 N 15 109.672 0.028 . 1 . . . . A 75 ASN ND2 . 31140 1 684 . 1 . 1 76 76 PHE H H 1 8.243 0.010 . 1 . . . . A 76 PHE H . 31140 1 685 . 1 . 1 76 76 PHE HA H 1 5.215 0.015 . 1 . . . . A 76 PHE HA . 31140 1 686 . 1 . 1 76 76 PHE HB2 H 1 3.401 0.009 . 2 . . . . A 76 PHE HB2 . 31140 1 687 . 1 . 1 76 76 PHE HB3 H 1 3.549 0.016 . 2 . . . . A 76 PHE HB3 . 31140 1 688 . 1 . 1 76 76 PHE HD1 H 1 6.831 0.019 . 1 . . . . A 76 PHE HD1 . 31140 1 689 . 1 . 1 76 76 PHE HD2 H 1 6.831 0.019 . 1 . . . . A 76 PHE HD2 . 31140 1 690 . 1 . 1 76 76 PHE HE1 H 1 6.970 0.000 . 1 . . . . A 76 PHE HE1 . 31140 1 691 . 1 . 1 76 76 PHE HE2 H 1 6.970 0.000 . 1 . . . . A 76 PHE HE2 . 31140 1 692 . 1 . 1 76 76 PHE C C 13 171.143 0.019 . 1 . . . . A 76 PHE C . 31140 1 693 . 1 . 1 76 76 PHE CA C 13 57.526 0.061 . 1 . . . . A 76 PHE CA . 31140 1 694 . 1 . 1 76 76 PHE CB C 13 41.462 0.000 . 1 . . . . A 76 PHE CB . 31140 1 695 . 1 . 1 76 76 PHE CD1 C 13 132.848 0.000 . 1 . . . . A 76 PHE CD1 . 31140 1 696 . 1 . 1 76 76 PHE CD2 C 13 132.848 0.000 . 1 . . . . A 76 PHE CD2 . 31140 1 697 . 1 . 1 76 76 PHE CE1 C 13 130.758 0.000 . 1 . . . . A 76 PHE CE1 . 31140 1 698 . 1 . 1 76 76 PHE CE2 C 13 130.758 0.000 . 1 . . . . A 76 PHE CE2 . 31140 1 699 . 1 . 1 76 76 PHE N N 15 113.683 0.000 . 1 . . . . A 76 PHE N . 31140 1 700 . 1 . 1 77 77 ALA H H 1 8.711 0.012 . 1 . . . . A 77 ALA H . 31140 1 701 . 1 . 1 77 77 ALA HA H 1 6.072 0.010 . 1 . . . . A 77 ALA HA . 31140 1 702 . 1 . 1 77 77 ALA HB1 H 1 1.737 0.017 . 1 . . . . A 77 ALA HB1 . 31140 1 703 . 1 . 1 77 77 ALA HB2 H 1 1.737 0.017 . 1 . . . . A 77 ALA HB2 . 31140 1 704 . 1 . 1 77 77 ALA HB3 H 1 1.737 0.017 . 1 . . . . A 77 ALA HB3 . 31140 1 705 . 1 . 1 77 77 ALA C C 13 175.911 0.000 . 1 . . . . A 77 ALA C . 31140 1 706 . 1 . 1 77 77 ALA CA C 13 50.222 0.029 . 1 . . . . A 77 ALA CA . 31140 1 707 . 1 . 1 77 77 ALA CB C 13 24.930 0.057 . 1 . . . . A 77 ALA CB . 31140 1 708 . 1 . 1 77 77 ALA N N 15 121.391 0.000 . 1 . . . . A 77 ALA N . 31140 1 709 . 1 . 1 78 78 LEU H H 1 8.446 0.009 . 1 . . . . A 78 LEU H . 31140 1 710 . 1 . 1 78 78 LEU HA H 1 5.270 0.015 . 1 . . . . A 78 LEU HA . 31140 1 711 . 1 . 1 78 78 LEU HB2 H 1 1.883 0.020 . 2 . . . . A 78 LEU HB2 . 31140 1 712 . 1 . 1 78 78 LEU HB3 H 1 1.736 0.035 . 2 . . . . A 78 LEU HB3 . 31140 1 713 . 1 . 1 78 78 LEU HD11 H 1 0.857 0.000 . 2 . . . . A 78 LEU HD11 . 31140 1 714 . 1 . 1 78 78 LEU HD12 H 1 0.857 0.000 . 2 . . . . A 78 LEU HD12 . 31140 1 715 . 1 . 1 78 78 LEU HD13 H 1 0.857 0.000 . 2 . . . . A 78 LEU HD13 . 31140 1 716 . 1 . 1 78 78 LEU HD21 H 1 1.059 0.000 . 2 . . . . A 78 LEU HD21 . 31140 1 717 . 1 . 1 78 78 LEU HD22 H 1 1.059 0.000 . 2 . . . . A 78 LEU HD22 . 31140 1 718 . 1 . 1 78 78 LEU HD23 H 1 1.059 0.000 . 2 . . . . A 78 LEU HD23 . 31140 1 719 . 1 . 1 78 78 LEU C C 13 175.794 0.000 . 1 . . . . A 78 LEU C . 31140 1 720 . 1 . 1 78 78 LEU CA C 13 52.533 0.063 . 1 . . . . A 78 LEU CA . 31140 1 721 . 1 . 1 78 78 LEU CB C 13 45.022 0.066 . 1 . . . . A 78 LEU CB . 31140 1 722 . 1 . 1 78 78 LEU CG C 13 26.154 0.060 . 1 . . . . A 78 LEU CG . 31140 1 723 . 1 . 1 78 78 LEU CD1 C 13 26.314 0.000 . 2 . . . . A 78 LEU CD1 . 31140 1 724 . 1 . 1 78 78 LEU CD2 C 13 22.482 0.000 . 2 . . . . A 78 LEU CD2 . 31140 1 725 . 1 . 1 78 78 LEU N N 15 115.430 0.000 . 1 . . . . A 78 LEU N . 31140 1 726 . 1 . 1 79 79 ASN H H 1 9.060 0.013 . 1 . . . . A 79 ASN H . 31140 1 727 . 1 . 1 79 79 ASN HA H 1 3.885 0.020 . 1 . . . . A 79 ASN HA . 31140 1 728 . 1 . 1 79 79 ASN HB2 H 1 2.939 0.014 . 2 . . . . A 79 ASN HB2 . 31140 1 729 . 1 . 1 79 79 ASN HB3 H 1 2.577 0.011 . 2 . . . . A 79 ASN HB3 . 31140 1 730 . 1 . 1 79 79 ASN C C 13 177.393 0.010 . 1 . . . . A 79 ASN C . 31140 1 731 . 1 . 1 79 79 ASN CA C 13 52.709 0.121 . 1 . . . . A 79 ASN CA . 31140 1 732 . 1 . 1 79 79 ASN CB C 13 38.561 0.001 . 1 . . . . A 79 ASN CB . 31140 1 733 . 1 . 1 79 79 ASN N N 15 117.207 0.000 . 1 . . . . A 79 ASN N . 31140 1 734 . 1 . 1 80 80 LYS H H 1 9.663 0.007 . 1 . . . . A 80 LYS H . 31140 1 735 . 1 . 1 80 80 LYS HA H 1 3.835 0.011 . 1 . . . . A 80 LYS HA . 31140 1 736 . 1 . 1 80 80 LYS HB2 H 1 1.607 0.016 . 2 . . . . A 80 LYS HB2 . 31140 1 737 . 1 . 1 80 80 LYS HB3 H 1 1.565 0.012 . 2 . . . . A 80 LYS HB3 . 31140 1 738 . 1 . 1 80 80 LYS HG2 H 1 1.371 0.019 . 2 . . . . A 80 LYS HG2 . 31140 1 739 . 1 . 1 80 80 LYS HG3 H 1 1.274 0.000 . 2 . . . . A 80 LYS HG3 . 31140 1 740 . 1 . 1 80 80 LYS HD2 H 1 1.923 0.001 . 2 . . . . A 80 LYS HD2 . 31140 1 741 . 1 . 1 80 80 LYS HD3 H 1 1.923 0.000 . 2 . . . . A 80 LYS HD3 . 31140 1 742 . 1 . 1 80 80 LYS C C 13 177.519 0.000 . 1 . . . . A 80 LYS C . 31140 1 743 . 1 . 1 80 80 LYS CA C 13 59.984 0.101 . 1 . . . . A 80 LYS CA . 31140 1 744 . 1 . 1 80 80 LYS CB C 13 33.217 0.024 . 1 . . . . A 80 LYS CB . 31140 1 745 . 1 . 1 80 80 LYS CG C 13 24.699 0.038 . 1 . . . . A 80 LYS CG . 31140 1 746 . 1 . 1 80 80 LYS CD C 13 29.625 0.052 . 1 . . . . A 80 LYS CD . 31140 1 747 . 1 . 1 80 80 LYS CE C 13 42.180 0.000 . 1 . . . . A 80 LYS CE . 31140 1 748 . 1 . 1 80 80 LYS N N 15 132.602 0.154 . 1 . . . . A 80 LYS N . 31140 1 749 . 1 . 1 81 81 ASP H H 1 7.811 0.009 . 1 . . . . A 81 ASP H . 31140 1 750 . 1 . 1 81 81 ASP HA H 1 4.460 0.006 . 1 . . . . A 81 ASP HA . 31140 1 751 . 1 . 1 81 81 ASP HB2 H 1 2.602 0.015 . 2 . . . . A 81 ASP HB2 . 31140 1 752 . 1 . 1 81 81 ASP HB3 H 1 2.680 0.003 . 2 . . . . A 81 ASP HB3 . 31140 1 753 . 1 . 1 81 81 ASP C C 13 176.667 0.019 . 1 . . . . A 81 ASP C . 31140 1 754 . 1 . 1 81 81 ASP CA C 13 56.414 0.040 . 1 . . . . A 81 ASP CA . 31140 1 755 . 1 . 1 81 81 ASP CB C 13 41.036 0.015 . 1 . . . . A 81 ASP CB . 31140 1 756 . 1 . 1 81 81 ASP N N 15 115.517 0.028 . 1 . . . . A 81 ASP N . 31140 1 757 . 1 . 1 82 82 LYS H H 1 7.175 0.005 . 1 . . . . A 82 LYS H . 31140 1 758 . 1 . 1 82 82 LYS HA H 1 4.598 0.013 . 1 . . . . A 82 LYS HA . 31140 1 759 . 1 . 1 82 82 LYS HB2 H 1 2.327 0.008 . 2 . . . . A 82 LYS HB2 . 31140 1 760 . 1 . 1 82 82 LYS HB3 H 1 1.565 0.007 . 2 . . . . A 82 LYS HB3 . 31140 1 761 . 1 . 1 82 82 LYS HG2 H 1 1.382 0.000 . 2 . . . . A 82 LYS HG2 . 31140 1 762 . 1 . 1 82 82 LYS HG3 H 1 1.333 0.013 . 2 . . . . A 82 LYS HG3 . 31140 1 763 . 1 . 1 82 82 LYS HE2 H 1 2.996 0.000 . 1 . . . . A 82 LYS HE2 . 31140 1 764 . 1 . 1 82 82 LYS HE3 H 1 2.996 0.000 . 1 . . . . A 82 LYS HE3 . 31140 1 765 . 1 . 1 82 82 LYS C C 13 175.872 0.000 . 1 . . . . A 82 LYS C . 31140 1 766 . 1 . 1 82 82 LYS CA C 13 54.535 0.063 . 1 . . . . A 82 LYS CA . 31140 1 767 . 1 . 1 82 82 LYS CB C 13 34.104 0.046 . 1 . . . . A 82 LYS CB . 31140 1 768 . 1 . 1 82 82 LYS CG C 13 24.932 0.051 . 1 . . . . A 82 LYS CG . 31140 1 769 . 1 . 1 82 82 LYS CD C 13 28.528 0.000 . 1 . . . . A 82 LYS CD . 31140 1 770 . 1 . 1 82 82 LYS CE C 13 42.366 0.028 . 1 . . . . A 82 LYS CE . 31140 1 771 . 1 . 1 82 82 LYS N N 15 114.667 0.000 . 1 . . . . A 82 LYS N . 31140 1 772 . 1 . 1 83 83 THR H H 1 7.188 0.010 . 1 . . . . A 83 THR H . 31140 1 773 . 1 . 1 83 83 THR HA H 1 4.383 0.011 . 1 . . . . A 83 THR HA . 31140 1 774 . 1 . 1 83 83 THR HB H 1 4.033 0.008 . 1 . . . . A 83 THR HB . 31140 1 775 . 1 . 1 83 83 THR HG21 H 1 1.269 0.012 . 1 . . . . A 83 THR HG21 . 31140 1 776 . 1 . 1 83 83 THR HG22 H 1 1.269 0.012 . 1 . . . . A 83 THR HG22 . 31140 1 777 . 1 . 1 83 83 THR HG23 H 1 1.269 0.012 . 1 . . . . A 83 THR HG23 . 31140 1 778 . 1 . 1 83 83 THR C C 13 172.897 0.010 . 1 . . . . A 83 THR C . 31140 1 779 . 1 . 1 83 83 THR CA C 13 62.791 0.055 . 1 . . . . A 83 THR CA . 31140 1 780 . 1 . 1 83 83 THR CB C 13 69.300 0.000 . 1 . . . . A 83 THR CB . 31140 1 781 . 1 . 1 83 83 THR CG2 C 13 21.630 0.034 . 1 . . . . A 83 THR CG2 . 31140 1 782 . 1 . 1 83 83 THR N N 15 117.681 0.000 . 1 . . . . A 83 THR N . 31140 1 783 . 1 . 1 84 84 SER H H 1 8.432 0.007 . 1 . . . . A 84 SER H . 31140 1 784 . 1 . 1 84 84 SER HA H 1 4.502 0.002 . 1 . . . . A 84 SER HA . 31140 1 785 . 1 . 1 84 84 SER HB2 H 1 4.406 0.004 . 2 . . . . A 84 SER HB2 . 31140 1 786 . 1 . 1 84 84 SER HB3 H 1 4.045 0.011 . 2 . . . . A 84 SER HB3 . 31140 1 787 . 1 . 1 84 84 SER C C 13 174.622 0.010 . 1 . . . . A 84 SER C . 31140 1 788 . 1 . 1 84 84 SER CA C 13 57.308 0.096 . 1 . . . . A 84 SER CA . 31140 1 789 . 1 . 1 84 84 SER CB C 13 65.039 0.049 . 1 . . . . A 84 SER CB . 31140 1 790 . 1 . 1 84 84 SER N N 15 123.402 0.000 . 1 . . . . A 84 SER N . 31140 1 791 . 1 . 1 85 85 GLN H H 1 9.023 0.011 . 1 . . . . A 85 GLN H . 31140 1 792 . 1 . 1 85 85 GLN HA H 1 3.826 0.018 . 1 . . . . A 85 GLN HA . 31140 1 793 . 1 . 1 85 85 GLN HB2 H 1 2.247 0.013 . 2 . . . . A 85 GLN HB2 . 31140 1 794 . 1 . 1 85 85 GLN HB3 H 1 1.984 0.012 . 2 . . . . A 85 GLN HB3 . 31140 1 795 . 1 . 1 85 85 GLN HG2 H 1 2.439 0.007 . 2 . . . . A 85 GLN HG2 . 31140 1 796 . 1 . 1 85 85 GLN HG3 H 1 2.340 0.000 . 2 . . . . A 85 GLN HG3 . 31140 1 797 . 1 . 1 85 85 GLN HE21 H 1 6.800 0.007 . 1 . . . . A 85 GLN HE21 . 31140 1 798 . 1 . 1 85 85 GLN HE22 H 1 8.066 0.010 . 1 . . . . A 85 GLN HE22 . 31140 1 799 . 1 . 1 85 85 GLN C C 13 176.957 0.039 . 1 . . . . A 85 GLN C . 31140 1 800 . 1 . 1 85 85 GLN CA C 13 58.152 0.007 . 1 . . . . A 85 GLN CA . 31140 1 801 . 1 . 1 85 85 GLN CB C 13 28.312 0.023 . 1 . . . . A 85 GLN CB . 31140 1 802 . 1 . 1 85 85 GLN CG C 13 33.584 0.000 . 1 . . . . A 85 GLN CG . 31140 1 803 . 1 . 1 85 85 GLN N N 15 121.422 0.056 . 1 . . . . A 85 GLN N . 31140 1 804 . 1 . 1 85 85 GLN NE2 N 15 116.253 0.009 . 1 . . . . A 85 GLN NE2 . 31140 1 805 . 1 . 1 86 86 GLU H H 1 8.640 0.012 . 1 . . . . A 86 GLU H . 31140 1 806 . 1 . 1 86 86 GLU HA H 1 4.121 0.018 . 1 . . . . A 86 GLU HA . 31140 1 807 . 1 . 1 86 86 GLU HB2 H 1 2.095 0.001 . 2 . . . . A 86 GLU HB2 . 31140 1 808 . 1 . 1 86 86 GLU HB3 H 1 1.991 0.002 . 2 . . . . A 86 GLU HB3 . 31140 1 809 . 1 . 1 86 86 GLU HG2 H 1 2.388 0.028 . 2 . . . . A 86 GLU HG2 . 31140 1 810 . 1 . 1 86 86 GLU HG3 H 1 2.366 0.012 . 2 . . . . A 86 GLU HG3 . 31140 1 811 . 1 . 1 86 86 GLU C C 13 179.399 0.039 . 1 . . . . A 86 GLU C . 31140 1 812 . 1 . 1 86 86 GLU CA C 13 60.534 0.000 . 1 . . . . A 86 GLU CA . 31140 1 813 . 1 . 1 86 86 GLU CB C 13 29.185 0.000 . 1 . . . . A 86 GLU CB . 31140 1 814 . 1 . 1 86 86 GLU CG C 13 37.085 0.038 . 1 . . . . A 86 GLU CG . 31140 1 815 . 1 . 1 86 86 GLU N N 15 116.889 0.000 . 1 . . . . A 86 GLU N . 31140 1 816 . 1 . 1 87 87 VAL H H 1 7.459 0.010 . 1 . . . . A 87 VAL H . 31140 1 817 . 1 . 1 87 87 VAL HA H 1 3.722 0.012 . 1 . . . . A 87 VAL HA . 31140 1 818 . 1 . 1 87 87 VAL HB H 1 2.270 0.005 . 1 . . . . A 87 VAL HB . 31140 1 819 . 1 . 1 87 87 VAL HG11 H 1 1.119 0.010 . 2 . . . . A 87 VAL HG11 . 31140 1 820 . 1 . 1 87 87 VAL HG12 H 1 1.119 0.010 . 2 . . . . A 87 VAL HG12 . 31140 1 821 . 1 . 1 87 87 VAL HG13 H 1 1.119 0.010 . 2 . . . . A 87 VAL HG13 . 31140 1 822 . 1 . 1 87 87 VAL HG21 H 1 0.898 0.019 . 2 . . . . A 87 VAL HG21 . 31140 1 823 . 1 . 1 87 87 VAL HG22 H 1 0.898 0.019 . 2 . . . . A 87 VAL HG22 . 31140 1 824 . 1 . 1 87 87 VAL HG23 H 1 0.898 0.019 . 2 . . . . A 87 VAL HG23 . 31140 1 825 . 1 . 1 87 87 VAL C C 13 177.868 0.000 . 1 . . . . A 87 VAL C . 31140 1 826 . 1 . 1 87 87 VAL CA C 13 66.392 0.070 . 1 . . . . A 87 VAL CA . 31140 1 827 . 1 . 1 87 87 VAL CB C 13 31.546 0.033 . 1 . . . . A 87 VAL CB . 31140 1 828 . 1 . 1 87 87 VAL CG1 C 13 23.347 0.058 . 2 . . . . A 87 VAL CG1 . 31140 1 829 . 1 . 1 87 87 VAL CG2 C 13 21.081 0.045 . 2 . . . . A 87 VAL CG2 . 31140 1 830 . 1 . 1 87 87 VAL N N 15 121.659 0.000 . 1 . . . . A 87 VAL N . 31140 1 831 . 1 . 1 88 88 ILE H H 1 7.755 0.013 . 1 . . . . A 88 ILE H . 31140 1 832 . 1 . 1 88 88 ILE HA H 1 3.440 0.013 . 1 . . . . A 88 ILE HA . 31140 1 833 . 1 . 1 88 88 ILE HB H 1 2.000 0.020 . 1 . . . . A 88 ILE HB . 31140 1 834 . 1 . 1 88 88 ILE HG12 H 1 1.960 0.011 . 2 . . . . A 88 ILE HG12 . 31140 1 835 . 1 . 1 88 88 ILE HG13 H 1 0.887 0.017 . 2 . . . . A 88 ILE HG13 . 31140 1 836 . 1 . 1 88 88 ILE HG21 H 1 0.952 0.021 . 1 . . . . A 88 ILE HG21 . 31140 1 837 . 1 . 1 88 88 ILE HG22 H 1 0.952 0.021 . 1 . . . . A 88 ILE HG22 . 31140 1 838 . 1 . 1 88 88 ILE HG23 H 1 0.952 0.021 . 1 . . . . A 88 ILE HG23 . 31140 1 839 . 1 . 1 88 88 ILE HD11 H 1 0.828 0.011 . 1 . . . . A 88 ILE HD11 . 31140 1 840 . 1 . 1 88 88 ILE HD12 H 1 0.828 0.011 . 1 . . . . A 88 ILE HD12 . 31140 1 841 . 1 . 1 88 88 ILE HD13 H 1 0.828 0.011 . 1 . . . . A 88 ILE HD13 . 31140 1 842 . 1 . 1 88 88 ILE C C 13 177.083 0.010 . 1 . . . . A 88 ILE C . 31140 1 843 . 1 . 1 88 88 ILE CA C 13 67.160 0.076 . 1 . . . . A 88 ILE CA . 31140 1 844 . 1 . 1 88 88 ILE CB C 13 38.023 0.084 . 1 . . . . A 88 ILE CB . 31140 1 845 . 1 . 1 88 88 ILE CG1 C 13 30.225 0.090 . 1 . . . . A 88 ILE CG1 . 31140 1 846 . 1 . 1 88 88 ILE CG2 C 13 17.428 0.033 . 1 . . . . A 88 ILE CG2 . 31140 1 847 . 1 . 1 88 88 ILE CD1 C 13 13.304 0.018 . 1 . . . . A 88 ILE CD1 . 31140 1 848 . 1 . 1 88 88 ILE N N 15 120.984 0.000 . 1 . . . . A 88 ILE N . 31140 1 849 . 1 . 1 89 89 ASP H H 1 8.799 0.016 . 1 . . . . A 89 ASP H . 31140 1 850 . 1 . 1 89 89 ASP HA H 1 4.351 0.013 . 1 . . . . A 89 ASP HA . 31140 1 851 . 1 . 1 89 89 ASP HB2 H 1 2.629 0.000 . 2 . . . . A 89 ASP HB2 . 31140 1 852 . 1 . 1 89 89 ASP HB3 H 1 2.751 0.026 . 2 . . . . A 89 ASP HB3 . 31140 1 853 . 1 . 1 89 89 ASP C C 13 178.973 0.000 . 1 . . . . A 89 ASP C . 31140 1 854 . 1 . 1 89 89 ASP CA C 13 57.410 0.053 . 1 . . . . A 89 ASP CA . 31140 1 855 . 1 . 1 89 89 ASP CB C 13 39.839 0.047 . 1 . . . . A 89 ASP CB . 31140 1 856 . 1 . 1 89 89 ASP N N 15 117.245 0.000 . 1 . . . . A 89 ASP N . 31140 1 857 . 1 . 1 90 90 GLN H H 1 7.698 0.011 . 1 . . . . A 90 GLN H . 31140 1 858 . 1 . 1 90 90 GLN HA H 1 4.066 0.015 . 1 . . . . A 90 GLN HA . 31140 1 859 . 1 . 1 90 90 GLN HB2 H 1 2.281 0.007 . 2 . . . . A 90 GLN HB2 . 31140 1 860 . 1 . 1 90 90 GLN HB3 H 1 2.271 0.000 . 2 . . . . A 90 GLN HB3 . 31140 1 861 . 1 . 1 90 90 GLN HG2 H 1 2.602 0.004 . 2 . . . . A 90 GLN HG2 . 31140 1 862 . 1 . 1 90 90 GLN HG3 H 1 2.531 0.014 . 2 . . . . A 90 GLN HG3 . 31140 1 863 . 1 . 1 90 90 GLN HE21 H 1 6.860 0.009 . 1 . . . . A 90 GLN HE21 . 31140 1 864 . 1 . 1 90 90 GLN HE22 H 1 8.571 0.000 . 1 . . . . A 90 GLN HE22 . 31140 1 865 . 1 . 1 90 90 GLN C C 13 178.043 0.019 . 1 . . . . A 90 GLN C . 31140 1 866 . 1 . 1 90 90 GLN CA C 13 59.204 0.030 . 1 . . . . A 90 GLN CA . 31140 1 867 . 1 . 1 90 90 GLN CB C 13 28.985 0.077 . 1 . . . . A 90 GLN CB . 31140 1 868 . 1 . 1 90 90 GLN CG C 13 34.082 0.035 . 1 . . . . A 90 GLN CG . 31140 1 869 . 1 . 1 90 90 GLN N N 15 120.397 0.054 . 1 . . . . A 90 GLN N . 31140 1 870 . 1 . 1 90 90 GLN NE2 N 15 114.190 0.011 . 1 . . . . A 90 GLN NE2 . 31140 1 871 . 1 . 1 91 91 LEU H H 1 8.183 0.012 . 1 . . . . A 91 LEU H . 31140 1 872 . 1 . 1 91 91 LEU HA H 1 3.359 0.016 . 1 . . . . A 91 LEU HA . 31140 1 873 . 1 . 1 91 91 LEU HB2 H 1 0.934 0.019 . 2 . . . . A 91 LEU HB2 . 31140 1 874 . 1 . 1 91 91 LEU HB3 H 1 2.024 0.015 . 2 . . . . A 91 LEU HB3 . 31140 1 875 . 1 . 1 91 91 LEU HD11 H 1 -0.100 0.013 . 2 . . . . A 91 LEU HD11 . 31140 1 876 . 1 . 1 91 91 LEU HD12 H 1 -0.100 0.013 . 2 . . . . A 91 LEU HD12 . 31140 1 877 . 1 . 1 91 91 LEU HD13 H 1 -0.100 0.013 . 2 . . . . A 91 LEU HD13 . 31140 1 878 . 1 . 1 91 91 LEU HD21 H 1 0.340 0.009 . 2 . . . . A 91 LEU HD21 . 31140 1 879 . 1 . 1 91 91 LEU HD22 H 1 0.340 0.009 . 2 . . . . A 91 LEU HD22 . 31140 1 880 . 1 . 1 91 91 LEU HD23 H 1 0.340 0.009 . 2 . . . . A 91 LEU HD23 . 31140 1 881 . 1 . 1 91 91 LEU C C 13 178.992 0.000 . 1 . . . . A 91 LEU C . 31140 1 882 . 1 . 1 91 91 LEU CA C 13 58.509 0.045 . 1 . . . . A 91 LEU CA . 31140 1 883 . 1 . 1 91 91 LEU CB C 13 42.240 0.033 . 1 . . . . A 91 LEU CB . 31140 1 884 . 1 . 1 91 91 LEU CG C 13 26.694 0.007 . 1 . . . . A 91 LEU CG . 31140 1 885 . 1 . 1 91 91 LEU CD1 C 13 23.298 0.000 . 2 . . . . A 91 LEU CD1 . 31140 1 886 . 1 . 1 91 91 LEU CD2 C 13 26.909 0.000 . 2 . . . . A 91 LEU CD2 . 31140 1 887 . 1 . 1 91 91 LEU N N 15 120.722 0.092 . 1 . . . . A 91 LEU N . 31140 1 888 . 1 . 1 92 92 VAL H H 1 8.119 0.007 . 1 . . . . A 92 VAL H . 31140 1 889 . 1 . 1 92 92 VAL HA H 1 3.984 0.012 . 1 . . . . A 92 VAL HA . 31140 1 890 . 1 . 1 92 92 VAL HB H 1 2.227 0.014 . 1 . . . . A 92 VAL HB . 31140 1 891 . 1 . 1 92 92 VAL HG11 H 1 1.136 0.000 . 2 . . . . A 92 VAL HG11 . 31140 1 892 . 1 . 1 92 92 VAL HG12 H 1 1.136 0.000 . 2 . . . . A 92 VAL HG12 . 31140 1 893 . 1 . 1 92 92 VAL HG13 H 1 1.136 0.000 . 2 . . . . A 92 VAL HG13 . 31140 1 894 . 1 . 1 92 92 VAL HG21 H 1 1.229 0.000 . 2 . . . . A 92 VAL HG21 . 31140 1 895 . 1 . 1 92 92 VAL HG22 H 1 1.229 0.000 . 2 . . . . A 92 VAL HG22 . 31140 1 896 . 1 . 1 92 92 VAL HG23 H 1 1.229 0.000 . 2 . . . . A 92 VAL HG23 . 31140 1 897 . 1 . 1 92 92 VAL C C 13 179.012 0.039 . 1 . . . . A 92 VAL C . 31140 1 898 . 1 . 1 92 92 VAL CA C 13 64.490 0.031 . 1 . . . . A 92 VAL CA . 31140 1 899 . 1 . 1 92 92 VAL CB C 13 32.319 0.001 . 1 . . . . A 92 VAL CB . 31140 1 900 . 1 . 1 92 92 VAL CG1 C 13 21.115 0.000 . 2 . . . . A 92 VAL CG1 . 31140 1 901 . 1 . 1 92 92 VAL CG2 C 13 21.499 0.000 . 2 . . . . A 92 VAL CG2 . 31140 1 902 . 1 . 1 92 92 VAL N N 15 116.236 0.000 . 1 . . . . A 92 VAL N . 31140 1 903 . 1 . 1 93 93 GLN H H 1 8.254 0.017 . 1 . . . . A 93 GLN H . 31140 1 904 . 1 . 1 93 93 GLN HA H 1 4.082 0.017 . 1 . . . . A 93 GLN HA . 31140 1 905 . 1 . 1 93 93 GLN HB2 H 1 2.193 0.016 . 2 . . . . A 93 GLN HB2 . 31140 1 906 . 1 . 1 93 93 GLN HB3 H 1 2.049 0.023 . 2 . . . . A 93 GLN HB3 . 31140 1 907 . 1 . 1 93 93 GLN HG2 H 1 2.400 0.014 . 2 . . . . A 93 GLN HG2 . 31140 1 908 . 1 . 1 93 93 GLN HG3 H 1 2.473 0.011 . 2 . . . . A 93 GLN HG3 . 31140 1 909 . 1 . 1 93 93 GLN HE21 H 1 7.690 0.012 . 1 . . . . A 93 GLN HE21 . 31140 1 910 . 1 . 1 93 93 GLN HE22 H 1 6.820 0.002 . 1 . . . . A 93 GLN HE22 . 31140 1 911 . 1 . 1 93 93 GLN C C 13 178.246 0.029 . 1 . . . . A 93 GLN C . 31140 1 912 . 1 . 1 93 93 GLN CA C 13 58.978 0.069 . 1 . . . . A 93 GLN CA . 31140 1 913 . 1 . 1 93 93 GLN CB C 13 29.737 0.000 . 1 . . . . A 93 GLN CB . 31140 1 914 . 1 . 1 93 93 GLN CG C 13 34.210 0.058 . 1 . . . . A 93 GLN CG . 31140 1 915 . 1 . 1 93 93 GLN N N 15 118.885 0.000 . 1 . . . . A 93 GLN N . 31140 1 916 . 1 . 1 93 93 GLN NE2 N 15 112.089 0.010 . 1 . . . . A 93 GLN NE2 . 31140 1 917 . 1 . 1 94 94 ASP H H 1 8.448 0.014 . 1 . . . . A 94 ASP H . 31140 1 918 . 1 . 1 94 94 ASP HA H 1 4.714 0.015 . 1 . . . . A 94 ASP HA . 31140 1 919 . 1 . 1 94 94 ASP HB2 H 1 2.908 0.009 . 2 . . . . A 94 ASP HB2 . 31140 1 920 . 1 . 1 94 94 ASP HB3 H 1 2.718 0.011 . 2 . . . . A 94 ASP HB3 . 31140 1 921 . 1 . 1 94 94 ASP C C 13 178.236 0.000 . 1 . . . . A 94 ASP C . 31140 1 922 . 1 . 1 94 94 ASP CA C 13 56.212 0.065 . 1 . . . . A 94 ASP CA . 31140 1 923 . 1 . 1 94 94 ASP CB C 13 41.684 0.004 . 1 . . . . A 94 ASP CB . 31140 1 924 . 1 . 1 94 94 ASP N N 15 117.100 0.000 . 1 . . . . A 94 ASP N . 31140 1 925 . 1 . 1 95 95 GLY H H 1 8.278 0.005 . 1 . . . . A 95 GLY H . 31140 1 926 . 1 . 1 95 95 GLY HA2 H 1 4.192 0.011 . 2 . . . . A 95 GLY HA2 . 31140 1 927 . 1 . 1 95 95 GLY HA3 H 1 3.718 0.014 . 2 . . . . A 95 GLY HA3 . 31140 1 928 . 1 . 1 95 95 GLY C C 13 172.616 0.000 . 1 . . . . A 95 GLY C . 31140 1 929 . 1 . 1 95 95 GLY CA C 13 46.506 0.033 . 1 . . . . A 95 GLY CA . 31140 1 930 . 1 . 1 95 95 GLY N N 15 109.554 0.000 . 1 . . . . A 95 GLY N . 31140 1 931 . 1 . 1 96 96 LEU H H 1 8.877 0.013 . 1 . . . . A 96 LEU H . 31140 1 932 . 1 . 1 96 96 LEU HA H 1 4.882 0.017 . 1 . . . . A 96 LEU HA . 31140 1 933 . 1 . 1 96 96 LEU HB2 H 1 1.680 0.025 . 2 . . . . A 96 LEU HB2 . 31140 1 934 . 1 . 1 96 96 LEU HB3 H 1 1.083 0.009 . 2 . . . . A 96 LEU HB3 . 31140 1 935 . 1 . 1 96 96 LEU HG H 1 1.442 0.034 . 1 . . . . A 96 LEU HG . 31140 1 936 . 1 . 1 96 96 LEU HD11 H 1 0.778 0.013 . 2 . . . . A 96 LEU HD11 . 31140 1 937 . 1 . 1 96 96 LEU HD12 H 1 0.778 0.013 . 2 . . . . A 96 LEU HD12 . 31140 1 938 . 1 . 1 96 96 LEU HD13 H 1 0.778 0.013 . 2 . . . . A 96 LEU HD13 . 31140 1 939 . 1 . 1 96 96 LEU HD21 H 1 0.754 0.010 . 2 . . . . A 96 LEU HD21 . 31140 1 940 . 1 . 1 96 96 LEU HD22 H 1 0.754 0.010 . 2 . . . . A 96 LEU HD22 . 31140 1 941 . 1 . 1 96 96 LEU HD23 H 1 0.754 0.010 . 2 . . . . A 96 LEU HD23 . 31140 1 942 . 1 . 1 96 96 LEU C C 13 175.116 0.000 . 1 . . . . A 96 LEU C . 31140 1 943 . 1 . 1 96 96 LEU CA C 13 52.419 0.092 . 1 . . . . A 96 LEU CA . 31140 1 944 . 1 . 1 96 96 LEU CB C 13 46.429 0.028 . 1 . . . . A 96 LEU CB . 31140 1 945 . 1 . 1 96 96 LEU CG C 13 26.804 0.000 . 1 . . . . A 96 LEU CG . 31140 1 946 . 1 . 1 96 96 LEU CD1 C 13 23.578 0.048 . 1 . . . . A 96 LEU CD1 . 31140 1 947 . 1 . 1 96 96 LEU CD2 C 13 23.578 0.048 . 1 . . . . A 96 LEU CD2 . 31140 1 948 . 1 . 1 96 96 LEU N N 15 120.295 0.000 . 1 . . . . A 96 LEU N . 31140 1 949 . 1 . 1 97 97 GLN H H 1 8.921 0.013 . 1 . . . . A 97 GLN H . 31140 1 950 . 1 . 1 97 97 GLN HA H 1 4.498 0.015 . 1 . . . . A 97 GLN HA . 31140 1 951 . 1 . 1 97 97 GLN HB2 H 1 1.917 0.023 . 2 . . . . A 97 GLN HB2 . 31140 1 952 . 1 . 1 97 97 GLN HB3 H 1 1.884 0.010 . 2 . . . . A 97 GLN HB3 . 31140 1 953 . 1 . 1 97 97 GLN HG2 H 1 2.292 0.013 . 2 . . . . A 97 GLN HG2 . 31140 1 954 . 1 . 1 97 97 GLN HG3 H 1 2.335 0.009 . 2 . . . . A 97 GLN HG3 . 31140 1 955 . 1 . 1 97 97 GLN HE21 H 1 6.699 0.011 . 1 . . . . A 97 GLN HE21 . 31140 1 956 . 1 . 1 97 97 GLN HE22 H 1 7.476 0.003 . 1 . . . . A 97 GLN HE22 . 31140 1 957 . 1 . 1 97 97 GLN C C 13 175.135 0.000 . 1 . . . . A 97 GLN C . 31140 1 958 . 1 . 1 97 97 GLN CA C 13 55.380 0.049 . 1 . . . . A 97 GLN CA . 31140 1 959 . 1 . 1 97 97 GLN CB C 13 30.289 0.001 . 1 . . . . A 97 GLN CB . 31140 1 960 . 1 . 1 97 97 GLN CG C 13 33.371 0.031 . 1 . . . . A 97 GLN CG . 31140 1 961 . 1 . 1 97 97 GLN N N 15 123.429 0.000 . 1 . . . . A 97 GLN N . 31140 1 962 . 1 . 1 97 97 GLN NE2 N 15 111.970 0.000 . 1 . . . . A 97 GLN NE2 . 31140 1 963 . 1 . 1 98 98 PHE H H 1 8.586 0.012 . 1 . . . . A 98 PHE H . 31140 1 964 . 1 . 1 98 98 PHE HA H 1 4.503 0.011 . 1 . . . . A 98 PHE HA . 31140 1 965 . 1 . 1 98 98 PHE HB2 H 1 2.952 0.009 . 2 . . . . A 98 PHE HB2 . 31140 1 966 . 1 . 1 98 98 PHE HB3 H 1 2.361 0.025 . 2 . . . . A 98 PHE HB3 . 31140 1 967 . 1 . 1 98 98 PHE HD1 H 1 6.880 0.018 . 1 . . . . A 98 PHE HD1 . 31140 1 968 . 1 . 1 98 98 PHE HD2 H 1 6.880 0.018 . 1 . . . . A 98 PHE HD2 . 31140 1 969 . 1 . 1 98 98 PHE HE1 H 1 6.799 0.017 . 1 . . . . A 98 PHE HE1 . 31140 1 970 . 1 . 1 98 98 PHE HE2 H 1 6.799 0.017 . 1 . . . . A 98 PHE HE2 . 31140 1 971 . 1 . 1 98 98 PHE C C 13 175.814 0.000 . 1 . . . . A 98 PHE C . 31140 1 972 . 1 . 1 98 98 PHE CA C 13 56.581 0.092 . 1 . . . . A 98 PHE CA . 31140 1 973 . 1 . 1 98 98 PHE CB C 13 39.981 0.019 . 1 . . . . A 98 PHE CB . 31140 1 974 . 1 . 1 98 98 PHE CD1 C 13 131.911 0.030 . 1 . . . . A 98 PHE CD1 . 31140 1 975 . 1 . 1 98 98 PHE CD2 C 13 131.911 0.030 . 1 . . . . A 98 PHE CD2 . 31140 1 976 . 1 . 1 98 98 PHE CE1 C 13 129.882 0.093 . 1 . . . . A 98 PHE CE1 . 31140 1 977 . 1 . 1 98 98 PHE CE2 C 13 129.882 0.093 . 1 . . . . A 98 PHE CE2 . 31140 1 978 . 1 . 1 98 98 PHE N N 15 127.224 0.000 . 1 . . . . A 98 PHE N . 31140 1 979 . 1 . 1 99 99 GLY H H 1 8.767 0.005 . 1 . . . . A 99 GLY H . 31140 1 980 . 1 . 1 99 99 GLY HA2 H 1 4.027 0.012 . 2 . . . . A 99 GLY HA2 . 31140 1 981 . 1 . 1 99 99 GLY HA3 H 1 3.591 0.014 . 2 . . . . A 99 GLY HA3 . 31140 1 982 . 1 . 1 99 99 GLY C C 13 175.331 0.000 . 1 . . . . A 99 GLY C . 31140 1 983 . 1 . 1 99 99 GLY CA C 13 47.110 0.046 . 1 . . . . A 99 GLY CA . 31140 1 984 . 1 . 1 99 99 GLY N N 15 113.846 0.140 . 1 . . . . A 99 GLY N . 31140 1 985 . 1 . 1 100 100 GLU H H 1 9.073 0.011 . 1 . . . . A 100 GLU H . 31140 1 986 . 1 . 1 100 100 GLU HA H 1 4.283 0.011 . 1 . . . . A 100 GLU HA . 31140 1 987 . 1 . 1 100 100 GLU HB2 H 1 2.241 0.025 . 2 . . . . A 100 GLU HB2 . 31140 1 988 . 1 . 1 100 100 GLU HB3 H 1 1.909 0.014 . 2 . . . . A 100 GLU HB3 . 31140 1 989 . 1 . 1 100 100 GLU HG2 H 1 2.326 0.000 . 1 . . . . A 100 GLU HG2 . 31140 1 990 . 1 . 1 100 100 GLU C C 13 176.633 0.014 . 1 . . . . A 100 GLU C . 31140 1 991 . 1 . 1 100 100 GLU CA C 13 56.950 0.001 . 1 . . . . A 100 GLU CA . 31140 1 992 . 1 . 1 100 100 GLU CB C 13 29.875 0.046 . 1 . . . . A 100 GLU CB . 31140 1 993 . 1 . 1 100 100 GLU CG C 13 36.725 0.000 . 1 . . . . A 100 GLU CG . 31140 1 994 . 1 . 1 100 100 GLU N N 15 126.895 0.057 . 1 . . . . A 100 GLU N . 31140 1 995 . 1 . 1 101 101 SER H H 1 7.985 0.009 . 1 . . . . A 101 SER H . 31140 1 996 . 1 . 1 101 101 SER HA H 1 4.697 0.023 . 1 . . . . A 101 SER HA . 31140 1 997 . 1 . 1 101 101 SER HB2 H 1 3.848 0.028 . 2 . . . . A 101 SER HB2 . 31140 1 998 . 1 . 1 101 101 SER HB3 H 1 3.755 0.002 . 2 . . . . A 101 SER HB3 . 31140 1 999 . 1 . 1 101 101 SER C C 13 172.044 0.010 . 1 . . . . A 101 SER C . 31140 1 1000 . 1 . 1 101 101 SER CA C 13 58.512 0.000 . 1 . . . . A 101 SER CA . 31140 1 1001 . 1 . 1 101 101 SER CB C 13 65.039 0.031 . 1 . . . . A 101 SER CB . 31140 1 1002 . 1 . 1 101 101 SER N N 15 116.274 0.000 . 1 . . . . A 101 SER N . 31140 1 1003 . 1 . 1 102 102 LYS H H 1 8.635 0.010 . 1 . . . . A 102 LYS H . 31140 1 1004 . 1 . 1 102 102 LYS HA H 1 5.141 0.010 . 1 . . . . A 102 LYS HA . 31140 1 1005 . 1 . 1 102 102 LYS HB2 H 1 1.776 0.005 . 2 . . . . A 102 LYS HB2 . 31140 1 1006 . 1 . 1 102 102 LYS HB3 H 1 1.745 0.012 . 2 . . . . A 102 LYS HB3 . 31140 1 1007 . 1 . 1 102 102 LYS HG2 H 1 1.365 0.004 . 2 . . . . A 102 LYS HG2 . 31140 1 1008 . 1 . 1 102 102 LYS HG3 H 1 1.349 0.008 . 2 . . . . A 102 LYS HG3 . 31140 1 1009 . 1 . 1 102 102 LYS HD2 H 1 1.687 0.006 . 2 . . . . A 102 LYS HD2 . 31140 1 1010 . 1 . 1 102 102 LYS HD3 H 1 1.681 0.000 . 2 . . . . A 102 LYS HD3 . 31140 1 1011 . 1 . 1 102 102 LYS HE2 H 1 3.002 0.002 . 2 . . . . A 102 LYS HE2 . 31140 1 1012 . 1 . 1 102 102 LYS HE3 H 1 2.939 0.015 . 2 . . . . A 102 LYS HE3 . 31140 1 1013 . 1 . 1 102 102 LYS C C 13 176.172 0.010 . 1 . . . . A 102 LYS C . 31140 1 1014 . 1 . 1 102 102 LYS CA C 13 54.800 0.053 . 1 . . . . A 102 LYS CA . 31140 1 1015 . 1 . 1 102 102 LYS CB C 13 35.341 0.048 . 1 . . . . A 102 LYS CB . 31140 1 1016 . 1 . 1 102 102 LYS CG C 13 24.625 0.042 . 1 . . . . A 102 LYS CG . 31140 1 1017 . 1 . 1 102 102 LYS CD C 13 28.909 0.049 . 1 . . . . A 102 LYS CD . 31140 1 1018 . 1 . 1 102 102 LYS CE C 13 41.781 0.006 . 1 . . . . A 102 LYS CE . 31140 1 1019 . 1 . 1 102 102 LYS N N 15 122.478 0.000 . 1 . . . . A 102 LYS N . 31140 1 1020 . 1 . 1 103 103 VAL H H 1 9.097 0.009 . 1 . . . . A 103 VAL H . 31140 1 1021 . 1 . 1 103 103 VAL HA H 1 4.927 0.010 . 1 . . . . A 103 VAL HA . 31140 1 1022 . 1 . 1 103 103 VAL HB H 1 1.948 0.014 . 1 . . . . A 103 VAL HB . 31140 1 1023 . 1 . 1 103 103 VAL HG11 H 1 0.615 0.014 . 2 . . . . A 103 VAL HG11 . 31140 1 1024 . 1 . 1 103 103 VAL HG12 H 1 0.615 0.014 . 2 . . . . A 103 VAL HG12 . 31140 1 1025 . 1 . 1 103 103 VAL HG13 H 1 0.615 0.014 . 2 . . . . A 103 VAL HG13 . 31140 1 1026 . 1 . 1 103 103 VAL HG21 H 1 0.878 0.021 . 2 . . . . A 103 VAL HG21 . 31140 1 1027 . 1 . 1 103 103 VAL HG22 H 1 0.878 0.021 . 2 . . . . A 103 VAL HG22 . 31140 1 1028 . 1 . 1 103 103 VAL HG23 H 1 0.878 0.021 . 2 . . . . A 103 VAL HG23 . 31140 1 1029 . 1 . 1 103 103 VAL C C 13 176.105 0.000 . 1 . . . . A 103 VAL C . 31140 1 1030 . 1 . 1 103 103 VAL CA C 13 60.901 0.001 . 1 . . . . A 103 VAL CA . 31140 1 1031 . 1 . 1 103 103 VAL CB C 13 33.829 0.029 . 1 . . . . A 103 VAL CB . 31140 1 1032 . 1 . 1 103 103 VAL CG1 C 13 22.430 0.000 . 2 . . . . A 103 VAL CG1 . 31140 1 1033 . 1 . 1 103 103 VAL CG2 C 13 21.114 0.000 . 2 . . . . A 103 VAL CG2 . 31140 1 1034 . 1 . 1 103 103 VAL N N 15 125.901 0.000 . 1 . . . . A 103 VAL N . 31140 1 1035 . 1 . 1 104 104 THR H H 1 8.964 0.011 . 1 . . . . A 104 THR H . 31140 1 1036 . 1 . 1 104 104 THR HA H 1 4.561 0.008 . 1 . . . . A 104 THR HA . 31140 1 1037 . 1 . 1 104 104 THR HB H 1 4.313 0.010 . 1 . . . . A 104 THR HB . 31140 1 1038 . 1 . 1 104 104 THR HG21 H 1 1.235 0.008 . 1 . . . . A 104 THR HG21 . 31140 1 1039 . 1 . 1 104 104 THR HG22 H 1 1.235 0.008 . 1 . . . . A 104 THR HG22 . 31140 1 1040 . 1 . 1 104 104 THR HG23 H 1 1.235 0.008 . 1 . . . . A 104 THR HG23 . 31140 1 1041 . 1 . 1 104 104 THR C C 13 174.254 0.010 . 1 . . . . A 104 THR C . 31140 1 1042 . 1 . 1 104 104 THR CA C 13 61.024 0.042 . 1 . . . . A 104 THR CA . 31140 1 1043 . 1 . 1 104 104 THR CB C 13 70.211 0.036 . 1 . . . . A 104 THR CB . 31140 1 1044 . 1 . 1 104 104 THR CG2 C 13 22.039 0.038 . 1 . . . . A 104 THR CG2 . 31140 1 1045 . 1 . 1 104 104 THR N N 15 119.226 0.000 . 1 . . . . A 104 THR N . 31140 1 1046 . 1 . 1 105 105 ILE H H 1 9.228 0.016 . 1 . . . . A 105 ILE H . 31140 1 1047 . 1 . 1 105 105 ILE HA H 1 4.840 0.009 . 1 . . . . A 105 ILE HA . 31140 1 1048 . 1 . 1 105 105 ILE HB H 1 1.752 0.019 . 1 . . . . A 105 ILE HB . 31140 1 1049 . 1 . 1 105 105 ILE HG12 H 1 1.733 0.000 . 2 . . . . A 105 ILE HG12 . 31140 1 1050 . 1 . 1 105 105 ILE HG13 H 1 0.885 0.021 . 2 . . . . A 105 ILE HG13 . 31140 1 1051 . 1 . 1 105 105 ILE HG21 H 1 0.845 0.008 . 1 . . . . A 105 ILE HG21 . 31140 1 1052 . 1 . 1 105 105 ILE HG22 H 1 0.845 0.008 . 1 . . . . A 105 ILE HG22 . 31140 1 1053 . 1 . 1 105 105 ILE HG23 H 1 0.845 0.008 . 1 . . . . A 105 ILE HG23 . 31140 1 1054 . 1 . 1 105 105 ILE HD11 H 1 0.740 0.026 . 1 . . . . A 105 ILE HD11 . 31140 1 1055 . 1 . 1 105 105 ILE HD12 H 1 0.740 0.026 . 1 . . . . A 105 ILE HD12 . 31140 1 1056 . 1 . 1 105 105 ILE HD13 H 1 0.740 0.026 . 1 . . . . A 105 ILE HD13 . 31140 1 1057 . 1 . 1 105 105 ILE C C 13 174.302 0.000 . 1 . . . . A 105 ILE C . 31140 1 1058 . 1 . 1 105 105 ILE CA C 13 61.128 0.048 . 1 . . . . A 105 ILE CA . 31140 1 1059 . 1 . 1 105 105 ILE CB C 13 40.859 0.019 . 1 . . . . A 105 ILE CB . 31140 1 1060 . 1 . 1 105 105 ILE CG1 C 13 28.168 0.000 . 1 . . . . A 105 ILE CG1 . 31140 1 1061 . 1 . 1 105 105 ILE CG2 C 13 19.432 0.006 . 1 . . . . A 105 ILE CG2 . 31140 1 1062 . 1 . 1 105 105 ILE CD1 C 13 14.101 0.065 . 1 . . . . A 105 ILE CD1 . 31140 1 1063 . 1 . 1 105 105 ILE N N 15 121.586 0.000 . 1 . . . . A 105 ILE N . 31140 1 1064 . 1 . 1 106 106 LYS H H 1 8.692 0.008 . 1 . . . . A 106 LYS H . 31140 1 1065 . 1 . 1 106 106 LYS HA H 1 4.839 0.008 . 1 . . . . A 106 LYS HA . 31140 1 1066 . 1 . 1 106 106 LYS HB2 H 1 1.793 0.015 . 2 . . . . A 106 LYS HB2 . 31140 1 1067 . 1 . 1 106 106 LYS HB3 H 1 1.595 0.017 . 2 . . . . A 106 LYS HB3 . 31140 1 1068 . 1 . 1 106 106 LYS HG2 H 1 1.440 0.018 . 2 . . . . A 106 LYS HG2 . 31140 1 1069 . 1 . 1 106 106 LYS HG3 H 1 1.344 0.027 . 2 . . . . A 106 LYS HG3 . 31140 1 1070 . 1 . 1 106 106 LYS HD2 H 1 1.697 0.000 . 2 . . . . A 106 LYS HD2 . 31140 1 1071 . 1 . 1 106 106 LYS HD3 H 1 1.660 0.000 . 2 . . . . A 106 LYS HD3 . 31140 1 1072 . 1 . 1 106 106 LYS C C 13 175.853 0.019 . 1 . . . . A 106 LYS C . 31140 1 1073 . 1 . 1 106 106 LYS CA C 13 54.590 0.081 . 1 . . . . A 106 LYS CA . 31140 1 1074 . 1 . 1 106 106 LYS CB C 13 36.992 0.031 . 1 . . . . A 106 LYS CB . 31140 1 1075 . 1 . 1 106 106 LYS CG C 13 24.718 0.043 . 1 . . . . A 106 LYS CG . 31140 1 1076 . 1 . 1 106 106 LYS CD C 13 29.420 0.033 . 1 . . . . A 106 LYS CD . 31140 1 1077 . 1 . 1 106 106 LYS CE C 13 42.272 0.051 . 1 . . . . A 106 LYS CE . 31140 1 1078 . 1 . 1 106 106 LYS N N 15 123.528 0.081 . 1 . . . . A 106 LYS N . 31140 1 1079 . 1 . 1 107 107 VAL H H 1 8.865 0.012 . 1 . . . . A 107 VAL H . 31140 1 1080 . 1 . 1 107 107 VAL HA H 1 3.339 0.010 . 1 . . . . A 107 VAL HA . 31140 1 1081 . 1 . 1 107 107 VAL HB H 1 1.804 0.008 . 1 . . . . A 107 VAL HB . 31140 1 1082 . 1 . 1 107 107 VAL HG11 H 1 0.766 0.017 . 2 . . . . A 107 VAL HG11 . 31140 1 1083 . 1 . 1 107 107 VAL HG12 H 1 0.766 0.017 . 2 . . . . A 107 VAL HG12 . 31140 1 1084 . 1 . 1 107 107 VAL HG13 H 1 0.766 0.017 . 2 . . . . A 107 VAL HG13 . 31140 1 1085 . 1 . 1 107 107 VAL HG21 H 1 0.641 0.017 . 2 . . . . A 107 VAL HG21 . 31140 1 1086 . 1 . 1 107 107 VAL HG22 H 1 0.641 0.017 . 2 . . . . A 107 VAL HG22 . 31140 1 1087 . 1 . 1 107 107 VAL HG23 H 1 0.641 0.017 . 2 . . . . A 107 VAL HG23 . 31140 1 1088 . 1 . 1 107 107 VAL C C 13 176.976 0.019 . 1 . . . . A 107 VAL C . 31140 1 1089 . 1 . 1 107 107 VAL CA C 13 64.294 0.029 . 1 . . . . A 107 VAL CA . 31140 1 1090 . 1 . 1 107 107 VAL CB C 13 32.039 0.042 . 1 . . . . A 107 VAL CB . 31140 1 1091 . 1 . 1 107 107 VAL CG1 C 13 22.860 0.000 . 2 . . . . A 107 VAL CG1 . 31140 1 1092 . 1 . 1 107 107 VAL CG2 C 13 21.598 0.004 . 2 . . . . A 107 VAL CG2 . 31140 1 1093 . 1 . 1 107 107 VAL N N 15 124.389 0.000 . 1 . . . . A 107 VAL N . 31140 1 1094 . 1 . 1 108 108 SER H H 1 8.305 0.012 . 1 . . . . A 108 SER H . 31140 1 1095 . 1 . 1 108 108 SER HA H 1 4.193 0.016 . 1 . . . . A 108 SER HA . 31140 1 1096 . 1 . 1 108 108 SER HB2 H 1 3.178 0.019 . 2 . . . . A 108 SER HB2 . 31140 1 1097 . 1 . 1 108 108 SER HB3 H 1 3.146 0.006 . 2 . . . . A 108 SER HB3 . 31140 1 1098 . 1 . 1 108 108 SER C C 13 172.603 0.000 . 1 . . . . A 108 SER C . 31140 1 1099 . 1 . 1 108 108 SER CA C 13 60.001 0.027 . 1 . . . . A 108 SER CA . 31140 1 1100 . 1 . 1 108 108 SER CB C 13 62.460 0.020 . 1 . . . . A 108 SER CB . 31140 1 1101 . 1 . 1 108 108 SER N N 15 125.820 0.000 . 1 . . . . A 108 SER N . 31140 1 1102 . 1 . 1 109 109 GLU H H 1 8.391 0.013 . 1 . . . . A 109 GLU H . 31140 1 1103 . 1 . 1 109 109 GLU HA H 1 4.708 0.011 . 1 . . . . A 109 GLU HA . 31140 1 1104 . 1 . 1 109 109 GLU HB2 H 1 2.031 0.027 . 2 . . . . A 109 GLU HB2 . 31140 1 1105 . 1 . 1 109 109 GLU HB3 H 1 1.900 0.008 . 2 . . . . A 109 GLU HB3 . 31140 1 1106 . 1 . 1 109 109 GLU HG2 H 1 2.138 0.000 . 2 . . . . A 109 GLU HG2 . 31140 1 1107 . 1 . 1 109 109 GLU HG3 H 1 2.134 0.000 . 2 . . . . A 109 GLU HG3 . 31140 1 1108 . 1 . 1 109 109 GLU C C 13 176.317 0.027 . 1 . . . . A 109 GLU C . 31140 1 1109 . 1 . 1 109 109 GLU CA C 13 54.623 0.000 . 1 . . . . A 109 GLU CA . 31140 1 1110 . 1 . 1 109 109 GLU CB C 13 34.133 0.032 . 1 . . . . A 109 GLU CB . 31140 1 1111 . 1 . 1 109 109 GLU CG C 13 36.035 0.000 . 1 . . . . A 109 GLU CG . 31140 1 1112 . 1 . 1 109 109 GLU N N 15 125.061 0.042 . 1 . . . . A 109 GLU N . 31140 1 1113 . 1 . 1 110 110 GLY H H 1 8.971 0.012 . 1 . . . . A 110 GLY H . 31140 1 1114 . 1 . 1 110 110 GLY HA2 H 1 3.967 0.002 . 2 . . . . A 110 GLY HA2 . 31140 1 1115 . 1 . 1 110 110 GLY HA3 H 1 3.788 0.000 . 2 . . . . A 110 GLY HA3 . 31140 1 1116 . 1 . 1 110 110 GLY C C 13 176.510 0.000 . 1 . . . . A 110 GLY C . 31140 1 1117 . 1 . 1 110 110 GLY CA C 13 46.786 0.027 . 1 . . . . A 110 GLY CA . 31140 1 1118 . 1 . 1 110 110 GLY N N 15 109.290 0.000 . 1 . . . . A 110 GLY N . 31140 1 1119 . 1 . 1 111 111 GLU H H 1 8.249 0.005 . 1 . . . . A 111 GLU H . 31140 1 1120 . 1 . 1 111 111 GLU HA H 1 4.123 0.006 . 1 . . . . A 111 GLU HA . 31140 1 1121 . 1 . 1 111 111 GLU HB2 H 1 2.057 0.000 . 1 . . . . A 111 GLU HB2 . 31140 1 1122 . 1 . 1 111 111 GLU HB3 H 1 2.057 0.000 . 1 . . . . A 111 GLU HB3 . 31140 1 1123 . 1 . 1 111 111 GLU HG2 H 1 2.296 0.015 . 2 . . . . A 111 GLU HG2 . 31140 1 1124 . 1 . 1 111 111 GLU HG3 H 1 2.327 0.000 . 2 . . . . A 111 GLU HG3 . 31140 1 1125 . 1 . 1 111 111 GLU C C 13 177.758 0.000 . 1 . . . . A 111 GLU C . 31140 1 1126 . 1 . 1 111 111 GLU CA C 13 58.971 0.093 . 1 . . . . A 111 GLU CA . 31140 1 1127 . 1 . 1 111 111 GLU CB C 13 29.249 0.027 . 1 . . . . A 111 GLU CB . 31140 1 1128 . 1 . 1 111 111 GLU CG C 13 36.342 0.076 . 1 . . . . A 111 GLU CG . 31140 1 1129 . 1 . 1 111 111 GLU N N 15 120.477 0.000 . 1 . . . . A 111 GLU N . 31140 1 1130 . 1 . 1 112 112 ALA H H 1 8.144 0.010 . 1 . . . . A 112 ALA H . 31140 1 1131 . 1 . 1 112 112 ALA HA H 1 4.121 0.020 . 1 . . . . A 112 ALA HA . 31140 1 1132 . 1 . 1 112 112 ALA HB1 H 1 1.553 0.013 . 1 . . . . A 112 ALA HB1 . 31140 1 1133 . 1 . 1 112 112 ALA HB2 H 1 1.553 0.013 . 1 . . . . A 112 ALA HB2 . 31140 1 1134 . 1 . 1 112 112 ALA HB3 H 1 1.553 0.013 . 1 . . . . A 112 ALA HB3 . 31140 1 1135 . 1 . 1 112 112 ALA C C 13 180.795 0.000 . 1 . . . . A 112 ALA C . 31140 1 1136 . 1 . 1 112 112 ALA CA C 13 54.708 0.000 . 1 . . . . A 112 ALA CA . 31140 1 1137 . 1 . 1 112 112 ALA CB C 13 18.192 0.045 . 1 . . . . A 112 ALA CB . 31140 1 1138 . 1 . 1 112 112 ALA N N 15 120.575 0.000 . 1 . . . . A 112 ALA N . 31140 1 1139 . 1 . 1 113 113 LEU H H 1 6.949 0.010 . 1 . . . . A 113 LEU H . 31140 1 1140 . 1 . 1 113 113 LEU HA H 1 4.007 0.018 . 1 . . . . A 113 LEU HA . 31140 1 1141 . 1 . 1 113 113 LEU HB2 H 1 1.858 0.042 . 2 . . . . A 113 LEU HB2 . 31140 1 1142 . 1 . 1 113 113 LEU HB3 H 1 0.870 0.015 . 2 . . . . A 113 LEU HB3 . 31140 1 1143 . 1 . 1 113 113 LEU HD11 H 1 0.929 0.022 . 2 . . . . A 113 LEU HD11 . 31140 1 1144 . 1 . 1 113 113 LEU HD12 H 1 0.929 0.022 . 2 . . . . A 113 LEU HD12 . 31140 1 1145 . 1 . 1 113 113 LEU HD13 H 1 0.929 0.022 . 2 . . . . A 113 LEU HD13 . 31140 1 1146 . 1 . 1 113 113 LEU HD21 H 1 1.042 0.009 . 2 . . . . A 113 LEU HD21 . 31140 1 1147 . 1 . 1 113 113 LEU HD22 H 1 1.042 0.009 . 2 . . . . A 113 LEU HD22 . 31140 1 1148 . 1 . 1 113 113 LEU HD23 H 1 1.042 0.009 . 2 . . . . A 113 LEU HD23 . 31140 1 1149 . 1 . 1 113 113 LEU C C 13 177.355 0.011 . 1 . . . . A 113 LEU C . 31140 1 1150 . 1 . 1 113 113 LEU CA C 13 56.788 0.040 . 1 . . . . A 113 LEU CA . 31140 1 1151 . 1 . 1 113 113 LEU CB C 13 41.508 0.055 . 1 . . . . A 113 LEU CB . 31140 1 1152 . 1 . 1 113 113 LEU CG C 13 26.843 0.000 . 1 . . . . A 113 LEU CG . 31140 1 1153 . 1 . 1 113 113 LEU CD1 C 13 22.788 0.006 . 2 . . . . A 113 LEU CD1 . 31140 1 1154 . 1 . 1 113 113 LEU CD2 C 13 25.501 0.017 . 2 . . . . A 113 LEU CD2 . 31140 1 1155 . 1 . 1 113 113 LEU N N 15 121.090 0.000 . 1 . . . . A 113 LEU N . 31140 1 1156 . 1 . 1 114 114 SER H H 1 7.930 0.006 . 1 . . . . A 114 SER H . 31140 1 1157 . 1 . 1 114 114 SER HA H 1 3.980 0.013 . 1 . . . . A 114 SER HA . 31140 1 1158 . 1 . 1 114 114 SER HB2 H 1 4.153 0.007 . 2 . . . . A 114 SER HB2 . 31140 1 1159 . 1 . 1 114 114 SER HB3 H 1 4.366 0.002 . 2 . . . . A 114 SER HB3 . 31140 1 1160 . 1 . 1 114 114 SER C C 13 178.204 0.000 . 1 . . . . A 114 SER C . 31140 1 1161 . 1 . 1 114 114 SER CA C 13 61.993 0.132 . 1 . . . . A 114 SER CA . 31140 1 1162 . 1 . 1 114 114 SER N N 15 114.029 0.000 . 1 . . . . A 114 SER N . 31140 1 1163 . 1 . 1 115 115 LYS H H 1 8.556 0.007 . 1 . . . . A 115 LYS H . 31140 1 1164 . 1 . 1 115 115 LYS HA H 1 4.065 0.000 . 1 . . . . A 115 LYS HA . 31140 1 1165 . 1 . 1 115 115 LYS HB2 H 1 1.995 0.026 . 2 . . . . A 115 LYS HB2 . 31140 1 1166 . 1 . 1 115 115 LYS HB3 H 1 1.775 0.012 . 2 . . . . A 115 LYS HB3 . 31140 1 1167 . 1 . 1 115 115 LYS HG2 H 1 1.528 0.000 . 1 . . . . A 115 LYS HG2 . 31140 1 1168 . 1 . 1 115 115 LYS HD2 H 1 1.623 0.000 . 1 . . . . A 115 LYS HD2 . 31140 1 1169 . 1 . 1 115 115 LYS HD3 H 1 1.623 0.000 . 1 . . . . A 115 LYS HD3 . 31140 1 1170 . 1 . 1 115 115 LYS HE2 H 1 2.971 0.030 . 2 . . . . A 115 LYS HE2 . 31140 1 1171 . 1 . 1 115 115 LYS HE3 H 1 3.000 0.000 . 2 . . . . A 115 LYS HE3 . 31140 1 1172 . 1 . 1 115 115 LYS C C 13 177.745 0.012 . 1 . . . . A 115 LYS C . 31140 1 1173 . 1 . 1 115 115 LYS CA C 13 58.419 0.068 . 1 . . . . A 115 LYS CA . 31140 1 1174 . 1 . 1 115 115 LYS CB C 13 31.663 0.000 . 1 . . . . A 115 LYS CB . 31140 1 1175 . 1 . 1 115 115 LYS CG C 13 24.927 0.000 . 1 . . . . A 115 LYS CG . 31140 1 1176 . 1 . 1 115 115 LYS CD C 13 28.469 0.059 . 1 . . . . A 115 LYS CD . 31140 1 1177 . 1 . 1 115 115 LYS N N 15 121.802 0.000 . 1 . . . . A 115 LYS N . 31140 1 1178 . 1 . 1 116 116 PHE H H 1 7.621 0.008 . 1 . . . . A 116 PHE H . 31140 1 1179 . 1 . 1 116 116 PHE HA H 1 4.100 0.012 . 1 . . . . A 116 PHE HA . 31140 1 1180 . 1 . 1 116 116 PHE HB2 H 1 3.087 0.015 . 2 . . . . A 116 PHE HB2 . 31140 1 1181 . 1 . 1 116 116 PHE HB3 H 1 2.979 0.019 . 2 . . . . A 116 PHE HB3 . 31140 1 1182 . 1 . 1 116 116 PHE HD1 H 1 7.310 0.006 . 1 . . . . A 116 PHE HD1 . 31140 1 1183 . 1 . 1 116 116 PHE HD2 H 1 7.310 0.006 . 1 . . . . A 116 PHE HD2 . 31140 1 1184 . 1 . 1 116 116 PHE HE1 H 1 6.895 0.016 . 1 . . . . A 116 PHE HE1 . 31140 1 1185 . 1 . 1 116 116 PHE HE2 H 1 6.895 0.016 . 1 . . . . A 116 PHE HE2 . 31140 1 1186 . 1 . 1 116 116 PHE C C 13 176.647 0.039 . 1 . . . . A 116 PHE C . 31140 1 1187 . 1 . 1 116 116 PHE CA C 13 62.012 0.033 . 1 . . . . A 116 PHE CA . 31140 1 1188 . 1 . 1 116 116 PHE CB C 13 37.300 0.026 . 1 . . . . A 116 PHE CB . 31140 1 1189 . 1 . 1 116 116 PHE N N 15 119.301 0.000 . 1 . . . . A 116 PHE N . 31140 1 1190 . 1 . 1 117 117 TRP H H 1 7.583 0.012 . 1 . . . . A 117 TRP H . 31140 1 1191 . 1 . 1 117 117 TRP HA H 1 3.888 0.011 . 1 . . . . A 117 TRP HA . 31140 1 1192 . 1 . 1 117 117 TRP HB2 H 1 3.324 0.012 . 2 . . . . A 117 TRP HB2 . 31140 1 1193 . 1 . 1 117 117 TRP HB3 H 1 3.087 0.018 . 2 . . . . A 117 TRP HB3 . 31140 1 1194 . 1 . 1 117 117 TRP HD1 H 1 7.295 0.007 . 1 . . . . A 117 TRP HD1 . 31140 1 1195 . 1 . 1 117 117 TRP HE1 H 1 9.984 0.012 . 1 . . . . A 117 TRP HE1 . 31140 1 1196 . 1 . 1 117 117 TRP HE3 H 1 7.414 0.002 . 1 . . . . A 117 TRP HE3 . 31140 1 1197 . 1 . 1 117 117 TRP HZ2 H 1 7.076 0.011 . 1 . . . . A 117 TRP HZ2 . 31140 1 1198 . 1 . 1 117 117 TRP HH2 H 1 6.706 0.005 . 1 . . . . A 117 TRP HH2 . 31140 1 1199 . 1 . 1 117 117 TRP C C 13 179.396 0.093 . 1 . . . . A 117 TRP C . 31140 1 1200 . 1 . 1 117 117 TRP CA C 13 59.836 0.055 . 1 . . . . A 117 TRP CA . 31140 1 1201 . 1 . 1 117 117 TRP CB C 13 29.240 0.048 . 1 . . . . A 117 TRP CB . 31140 1 1202 . 1 . 1 117 117 TRP CD1 C 13 128.155 0.000 . 1 . . . . A 117 TRP CD1 . 31140 1 1203 . 1 . 1 117 117 TRP CE3 C 13 120.756 0.000 . 1 . . . . A 117 TRP CE3 . 31140 1 1204 . 1 . 1 117 117 TRP CZ2 C 13 114.305 0.070 . 1 . . . . A 117 TRP CZ2 . 31140 1 1205 . 1 . 1 117 117 TRP CH2 C 13 121.700 0.000 . 1 . . . . A 117 TRP CH2 . 31140 1 1206 . 1 . 1 117 117 TRP N N 15 118.689 0.000 . 1 . . . . A 117 TRP N . 31140 1 1207 . 1 . 1 117 117 TRP NE1 N 15 127.896 0.000 . 1 . . . . A 117 TRP NE1 . 31140 1 1208 . 1 . 1 118 118 GLU H H 1 8.139 0.001 . 1 . . . . A 118 GLU H . 31140 1 1209 . 1 . 1 118 118 GLU HA H 1 3.970 0.016 . 1 . . . . A 118 GLU HA . 31140 1 1210 . 1 . 1 118 118 GLU HB2 H 1 2.126 0.006 . 2 . . . . A 118 GLU HB2 . 31140 1 1211 . 1 . 1 118 118 GLU HB3 H 1 2.052 0.015 . 2 . . . . A 118 GLU HB3 . 31140 1 1212 . 1 . 1 118 118 GLU HG2 H 1 2.176 0.000 . 2 . . . . A 118 GLU HG2 . 31140 1 1213 . 1 . 1 118 118 GLU HG3 H 1 2.031 0.012 . 2 . . . . A 118 GLU HG3 . 31140 1 1214 . 1 . 1 118 118 GLU C C 13 178.539 0.000 . 1 . . . . A 118 GLU C . 31140 1 1215 . 1 . 1 118 118 GLU CA C 13 59.382 0.037 . 1 . . . . A 118 GLU CA . 31140 1 1216 . 1 . 1 118 118 GLU CB C 13 30.455 0.031 . 1 . . . . A 118 GLU CB . 31140 1 1217 . 1 . 1 118 118 GLU CG C 13 35.763 0.030 . 1 . . . . A 118 GLU CG . 31140 1 1218 . 1 . 1 118 118 GLU N N 15 120.449 0.051 . 1 . . . . A 118 GLU N . 31140 1 1219 . 1 . 1 119 119 LEU H H 1 8.305 0.012 . 1 . . . . A 119 LEU H . 31140 1 1220 . 1 . 1 119 119 LEU HA H 1 3.991 0.006 . 1 . . . . A 119 LEU HA . 31140 1 1221 . 1 . 1 119 119 LEU HG H 1 1.497 0.015 . 1 . . . . A 119 LEU HG . 31140 1 1222 . 1 . 1 119 119 LEU HD11 H 1 0.714 0.001 . 2 . . . . A 119 LEU HD11 . 31140 1 1223 . 1 . 1 119 119 LEU HD12 H 1 0.714 0.001 . 2 . . . . A 119 LEU HD12 . 31140 1 1224 . 1 . 1 119 119 LEU HD13 H 1 0.714 0.001 . 2 . . . . A 119 LEU HD13 . 31140 1 1225 . 1 . 1 119 119 LEU HD21 H 1 0.686 0.013 . 2 . . . . A 119 LEU HD21 . 31140 1 1226 . 1 . 1 119 119 LEU HD22 H 1 0.686 0.013 . 2 . . . . A 119 LEU HD22 . 31140 1 1227 . 1 . 1 119 119 LEU HD23 H 1 0.686 0.013 . 2 . . . . A 119 LEU HD23 . 31140 1 1228 . 1 . 1 119 119 LEU C C 13 179.405 0.084 . 1 . . . . A 119 LEU C . 31140 1 1229 . 1 . 1 119 119 LEU CA C 13 56.831 0.048 . 1 . . . . A 119 LEU CA . 31140 1 1230 . 1 . 1 119 119 LEU CB C 13 41.559 0.045 . 1 . . . . A 119 LEU CB . 31140 1 1231 . 1 . 1 119 119 LEU CD1 C 13 25.124 0.087 . 2 . . . . A 119 LEU CD1 . 31140 1 1232 . 1 . 1 119 119 LEU CD2 C 13 22.451 0.040 . 2 . . . . A 119 LEU CD2 . 31140 1 1233 . 1 . 1 119 119 LEU N N 15 117.004 0.000 . 1 . . . . A 119 LEU N . 31140 1 1234 . 1 . 1 120 120 HIS H H 1 8.212 0.012 . 1 . . . . A 120 HIS H . 31140 1 1235 . 1 . 1 120 120 HIS HA H 1 5.033 0.013 . 1 . . . . A 120 HIS HA . 31140 1 1236 . 1 . 1 120 120 HIS HB2 H 1 3.091 0.018 . 1 . . . . A 120 HIS HB2 . 31140 1 1237 . 1 . 1 120 120 HIS HD2 H 1 7.078 0.006 . 1 . . . . A 120 HIS HD2 . 31140 1 1238 . 1 . 1 120 120 HIS C C 13 175.947 0.000 . 1 . . . . A 120 HIS C . 31140 1 1239 . 1 . 1 120 120 HIS CA C 13 55.419 0.002 . 1 . . . . A 120 HIS CA . 31140 1 1240 . 1 . 1 120 120 HIS CB C 13 31.576 0.047 . 1 . . . . A 120 HIS CB . 31140 1 1241 . 1 . 1 120 120 HIS CD2 C 13 119.801 0.000 . 1 . . . . A 120 HIS CD2 . 31140 1 1242 . 1 . 1 120 120 HIS N N 15 114.936 0.248 . 1 . . . . A 120 HIS N . 31140 1 1243 . 1 . 1 121 121 GLY H H 1 7.553 0.007 . 1 . . . . A 121 GLY H . 31140 1 1244 . 1 . 1 121 121 GLY HA2 H 1 4.408 0.010 . 2 . . . . A 121 GLY HA2 . 31140 1 1245 . 1 . 1 121 121 GLY HA3 H 1 3.724 0.032 . 2 . . . . A 121 GLY HA3 . 31140 1 1246 . 1 . 1 121 121 GLY C C 13 176.025 0.000 . 1 . . . . A 121 GLY C . 31140 1 1247 . 1 . 1 121 121 GLY CA C 13 48.667 0.033 . 1 . . . . A 121 GLY CA . 31140 1 1248 . 1 . 1 121 121 GLY N N 15 110.071 0.000 . 1 . . . . A 121 GLY N . 31140 1 1249 . 1 . 1 122 122 ARG H H 1 8.263 0.010 . 1 . . . . A 122 ARG H . 31140 1 1250 . 1 . 1 122 122 ARG HA H 1 4.191 0.024 . 1 . . . . A 122 ARG HA . 31140 1 1251 . 1 . 1 122 122 ARG HB2 H 1 1.868 0.009 . 2 . . . . A 122 ARG HB2 . 31140 1 1252 . 1 . 1 122 122 ARG HB3 H 1 1.853 0.000 . 2 . . . . A 122 ARG HB3 . 31140 1 1253 . 1 . 1 122 122 ARG HG2 H 1 1.767 0.009 . 2 . . . . A 122 ARG HG2 . 31140 1 1254 . 1 . 1 122 122 ARG HG3 H 1 1.674 0.000 . 2 . . . . A 122 ARG HG3 . 31140 1 1255 . 1 . 1 122 122 ARG HD2 H 1 3.245 0.002 . 2 . . . . A 122 ARG HD2 . 31140 1 1256 . 1 . 1 122 122 ARG HD3 H 1 3.243 0.000 . 2 . . . . A 122 ARG HD3 . 31140 1 1257 . 1 . 1 122 122 ARG C C 13 179.298 0.000 . 1 . . . . A 122 ARG C . 31140 1 1258 . 1 . 1 122 122 ARG CA C 13 59.289 0.035 . 1 . . . . A 122 ARG CA . 31140 1 1259 . 1 . 1 122 122 ARG CB C 13 29.140 0.030 . 1 . . . . A 122 ARG CB . 31140 1 1260 . 1 . 1 122 122 ARG CG C 13 27.842 0.003 . 1 . . . . A 122 ARG CG . 31140 1 1261 . 1 . 1 122 122 ARG CD C 13 43.221 0.010 . 1 . . . . A 122 ARG CD . 31140 1 1262 . 1 . 1 122 122 ARG N N 15 120.330 0.060 . 1 . . . . A 122 ARG N . 31140 1 1263 . 1 . 1 123 123 HIS H H 1 7.828 0.006 . 1 . . . . A 123 HIS H . 31140 1 1264 . 1 . 1 123 123 HIS HA H 1 4.425 0.006 . 1 . . . . A 123 HIS HA . 31140 1 1265 . 1 . 1 123 123 HIS HB2 H 1 3.501 0.018 . 2 . . . . A 123 HIS HB2 . 31140 1 1266 . 1 . 1 123 123 HIS HB3 H 1 3.399 0.014 . 2 . . . . A 123 HIS HB3 . 31140 1 1267 . 1 . 1 123 123 HIS HD2 H 1 7.212 0.010 . 1 . . . . A 123 HIS HD2 . 31140 1 1268 . 1 . 1 123 123 HIS C C 13 177.366 0.009 . 1 . . . . A 123 HIS C . 31140 1 1269 . 1 . 1 123 123 HIS CA C 13 59.781 0.021 . 1 . . . . A 123 HIS CA . 31140 1 1270 . 1 . 1 123 123 HIS CB C 13 31.696 0.014 . 1 . . . . A 123 HIS CB . 31140 1 1271 . 1 . 1 123 123 HIS CD2 C 13 118.428 0.000 . 1 . . . . A 123 HIS CD2 . 31140 1 1272 . 1 . 1 123 123 HIS N N 15 123.704 0.000 . 1 . . . . A 123 HIS N . 31140 1 1273 . 1 . 1 124 124 TYR H H 1 8.592 0.016 . 1 . . . . A 124 TYR H . 31140 1 1274 . 1 . 1 124 124 TYR HA H 1 4.161 0.009 . 1 . . . . A 124 TYR HA . 31140 1 1275 . 1 . 1 124 124 TYR HB2 H 1 3.059 0.010 . 2 . . . . A 124 TYR HB2 . 31140 1 1276 . 1 . 1 124 124 TYR HB3 H 1 2.894 0.020 . 2 . . . . A 124 TYR HB3 . 31140 1 1277 . 1 . 1 124 124 TYR HD1 H 1 6.559 0.007 . 1 . . . . A 124 TYR HD1 . 31140 1 1278 . 1 . 1 124 124 TYR HD2 H 1 6.559 0.007 . 1 . . . . A 124 TYR HD2 . 31140 1 1279 . 1 . 1 124 124 TYR HE1 H 1 6.630 0.006 . 1 . . . . A 124 TYR HE1 . 31140 1 1280 . 1 . 1 124 124 TYR HE2 H 1 6.630 0.006 . 1 . . . . A 124 TYR HE2 . 31140 1 1281 . 1 . 1 124 124 TYR CD1 C 13 133.165 0.012 . 1 . . . . A 124 TYR CD1 . 31140 1 1282 . 1 . 1 124 124 TYR CD2 C 13 133.165 0.012 . 1 . . . . A 124 TYR CD2 . 31140 1 1283 . 1 . 1 124 124 TYR CE1 C 13 117.005 0.095 . 1 . . . . A 124 TYR CE1 . 31140 1 1284 . 1 . 1 124 124 TYR CE2 C 13 117.005 0.095 . 1 . . . . A 124 TYR CE2 . 31140 1 1285 . 1 . 1 124 124 TYR N N 15 120.382 0.000 . 1 . . . . A 124 TYR N . 31140 1 1286 . 1 . 1 125 125 ASN H H 1 8.584 0.015 . 1 . . . . A 125 ASN H . 31140 1 1287 . 1 . 1 125 125 ASN HA H 1 4.197 0.010 . 1 . . . . A 125 ASN HA . 31140 1 1288 . 1 . 1 125 125 ASN HB2 H 1 2.826 0.013 . 2 . . . . A 125 ASN HB2 . 31140 1 1289 . 1 . 1 125 125 ASN HB3 H 1 2.900 0.019 . 2 . . . . A 125 ASN HB3 . 31140 1 1290 . 1 . 1 125 125 ASN C C 13 178.091 0.029 . 1 . . . . A 125 ASN C . 31140 1 1291 . 1 . 1 125 125 ASN CA C 13 56.486 0.065 . 1 . . . . A 125 ASN CA . 31140 1 1292 . 1 . 1 125 125 ASN CB C 13 38.432 0.020 . 1 . . . . A 125 ASN CB . 31140 1 1293 . 1 . 1 125 125 ASN N N 15 117.541 0.000 . 1 . . . . A 125 ASN N . 31140 1 1294 . 1 . 1 126 126 GLY H H 1 8.155 0.012 . 1 . . . . A 126 GLY H . 31140 1 1295 . 1 . 1 126 126 GLY HA2 H 1 3.833 0.018 . 2 . . . . A 126 GLY HA2 . 31140 1 1296 . 1 . 1 126 126 GLY HA3 H 1 3.982 0.013 . 2 . . . . A 126 GLY HA3 . 31140 1 1297 . 1 . 1 126 126 GLY C C 13 176.669 0.000 . 1 . . . . A 126 GLY C . 31140 1 1298 . 1 . 1 126 126 GLY CA C 13 47.117 0.045 . 1 . . . . A 126 GLY CA . 31140 1 1299 . 1 . 1 126 126 GLY N N 15 107.528 0.155 . 1 . . . . A 126 GLY N . 31140 1 1300 . 1 . 1 127 127 VAL H H 1 8.020 0.011 . 1 . . . . A 127 VAL H . 31140 1 1301 . 1 . 1 127 127 VAL HA H 1 3.534 0.008 . 1 . . . . A 127 VAL HA . 31140 1 1302 . 1 . 1 127 127 VAL HB H 1 1.922 0.012 . 1 . . . . A 127 VAL HB . 31140 1 1303 . 1 . 1 127 127 VAL HG11 H 1 0.878 0.000 . 2 . . . . A 127 VAL HG11 . 31140 1 1304 . 1 . 1 127 127 VAL HG12 H 1 0.878 0.000 . 2 . . . . A 127 VAL HG12 . 31140 1 1305 . 1 . 1 127 127 VAL HG13 H 1 0.878 0.000 . 2 . . . . A 127 VAL HG13 . 31140 1 1306 . 1 . 1 127 127 VAL HG21 H 1 0.640 0.000 . 2 . . . . A 127 VAL HG21 . 31140 1 1307 . 1 . 1 127 127 VAL HG22 H 1 0.640 0.000 . 2 . . . . A 127 VAL HG22 . 31140 1 1308 . 1 . 1 127 127 VAL HG23 H 1 0.640 0.000 . 2 . . . . A 127 VAL HG23 . 31140 1 1309 . 1 . 1 127 127 VAL C C 13 178.613 0.030 . 1 . . . . A 127 VAL C . 31140 1 1310 . 1 . 1 127 127 VAL CA C 13 66.441 0.042 . 1 . . . . A 127 VAL CA . 31140 1 1311 . 1 . 1 127 127 VAL CB C 13 32.150 0.047 . 1 . . . . A 127 VAL CB . 31140 1 1312 . 1 . 1 127 127 VAL CG1 C 13 22.471 0.000 . 2 . . . . A 127 VAL CG1 . 31140 1 1313 . 1 . 1 127 127 VAL CG2 C 13 21.114 0.000 . 2 . . . . A 127 VAL CG2 . 31140 1 1314 . 1 . 1 127 127 VAL N N 15 123.555 0.003 . 1 . . . . A 127 VAL N . 31140 1 1315 . 1 . 1 128 128 MET H H 1 8.016 0.006 . 1 . . . . A 128 MET H . 31140 1 1316 . 1 . 1 128 128 MET HA H 1 3.977 0.029 . 1 . . . . A 128 MET HA . 31140 1 1317 . 1 . 1 128 128 MET HB2 H 1 1.881 0.000 . 2 . . . . A 128 MET HB2 . 31140 1 1318 . 1 . 1 128 128 MET HB3 H 1 1.894 0.012 . 2 . . . . A 128 MET HB3 . 31140 1 1319 . 1 . 1 128 128 MET HE1 H 1 1.244 0.019 . 1 . . . . A 128 MET HE1 . 31140 1 1320 . 1 . 1 128 128 MET HE2 H 1 1.244 0.019 . 1 . . . . A 128 MET HE2 . 31140 1 1321 . 1 . 1 128 128 MET HE3 H 1 1.244 0.019 . 1 . . . . A 128 MET HE3 . 31140 1 1322 . 1 . 1 128 128 MET C C 13 179.378 0.036 . 1 . . . . A 128 MET C . 31140 1 1323 . 1 . 1 128 128 MET CA C 13 56.217 0.026 . 1 . . . . A 128 MET CA . 31140 1 1324 . 1 . 1 128 128 MET CB C 13 29.338 0.008 . 1 . . . . A 128 MET CB . 31140 1 1325 . 1 . 1 128 128 MET CE C 13 15.373 0.012 . 1 . . . . A 128 MET CE . 31140 1 1326 . 1 . 1 128 128 MET N N 15 116.946 0.000 . 1 . . . . A 128 MET N . 31140 1 1327 . 1 . 1 129 129 GLU H H 1 8.197 0.010 . 1 . . . . A 129 GLU H . 31140 1 1328 . 1 . 1 129 129 GLU HA H 1 3.936 0.011 . 1 . . . . A 129 GLU HA . 31140 1 1329 . 1 . 1 129 129 GLU HB2 H 1 2.086 0.020 . 2 . . . . A 129 GLU HB2 . 31140 1 1330 . 1 . 1 129 129 GLU HB3 H 1 1.993 0.000 . 2 . . . . A 129 GLU HB3 . 31140 1 1331 . 1 . 1 129 129 GLU HG2 H 1 2.281 0.005 . 2 . . . . A 129 GLU HG2 . 31140 1 1332 . 1 . 1 129 129 GLU HG3 H 1 2.306 0.000 . 2 . . . . A 129 GLU HG3 . 31140 1 1333 . 1 . 1 129 129 GLU C C 13 179.069 0.000 . 1 . . . . A 129 GLU C . 31140 1 1334 . 1 . 1 129 129 GLU CA C 13 59.131 0.038 . 1 . . . . A 129 GLU CA . 31140 1 1335 . 1 . 1 129 129 GLU CB C 13 29.333 0.000 . 1 . . . . A 129 GLU CB . 31140 1 1336 . 1 . 1 129 129 GLU CG C 13 36.265 0.000 . 1 . . . . A 129 GLU CG . 31140 1 1337 . 1 . 1 129 129 GLU N N 15 119.840 0.122 . 1 . . . . A 129 GLU N . 31140 1 1338 . 1 . 1 130 130 LEU H H 1 7.483 0.011 . 1 . . . . A 130 LEU H . 31140 1 1339 . 1 . 1 130 130 LEU HA H 1 4.101 0.019 . 1 . . . . A 130 LEU HA . 31140 1 1340 . 1 . 1 130 130 LEU HB2 H 1 1.788 0.026 . 2 . . . . A 130 LEU HB2 . 31140 1 1341 . 1 . 1 130 130 LEU HB3 H 1 1.687 0.017 . 2 . . . . A 130 LEU HB3 . 31140 1 1342 . 1 . 1 130 130 LEU HD11 H 1 0.881 0.010 . 2 . . . . A 130 LEU HD11 . 31140 1 1343 . 1 . 1 130 130 LEU HD12 H 1 0.881 0.010 . 2 . . . . A 130 LEU HD12 . 31140 1 1344 . 1 . 1 130 130 LEU HD13 H 1 0.881 0.010 . 2 . . . . A 130 LEU HD13 . 31140 1 1345 . 1 . 1 130 130 LEU HD21 H 1 0.867 0.002 . 2 . . . . A 130 LEU HD21 . 31140 1 1346 . 1 . 1 130 130 LEU HD22 H 1 0.867 0.002 . 2 . . . . A 130 LEU HD22 . 31140 1 1347 . 1 . 1 130 130 LEU HD23 H 1 0.867 0.002 . 2 . . . . A 130 LEU HD23 . 31140 1 1348 . 1 . 1 130 130 LEU C C 13 179.312 0.000 . 1 . . . . A 130 LEU C . 31140 1 1349 . 1 . 1 130 130 LEU CA C 13 57.691 0.093 . 1 . . . . A 130 LEU CA . 31140 1 1350 . 1 . 1 130 130 LEU CB C 13 41.553 0.026 . 1 . . . . A 130 LEU CB . 31140 1 1351 . 1 . 1 130 130 LEU CG C 13 26.877 0.000 . 1 . . . . A 130 LEU CG . 31140 1 1352 . 1 . 1 130 130 LEU CD1 C 13 23.300 0.000 . 2 . . . . A 130 LEU CD1 . 31140 1 1353 . 1 . 1 130 130 LEU CD2 C 13 23.998 0.100 . 2 . . . . A 130 LEU CD2 . 31140 1 1354 . 1 . 1 130 130 LEU N N 15 120.295 0.000 . 1 . . . . A 130 LEU N . 31140 1 1355 . 1 . 1 131 131 LYS H H 1 7.959 0.005 . 1 . . . . A 131 LYS H . 31140 1 1356 . 1 . 1 131 131 LYS HA H 1 3.951 0.000 . 1 . . . . A 131 LYS HA . 31140 1 1357 . 1 . 1 131 131 LYS HB2 H 1 1.618 0.000 . 2 . . . . A 131 LYS HB2 . 31140 1 1358 . 1 . 1 131 131 LYS HB3 H 1 1.315 0.000 . 2 . . . . A 131 LYS HB3 . 31140 1 1359 . 1 . 1 131 131 LYS HG2 H 1 1.758 0.000 . 1 . . . . A 131 LYS HG2 . 31140 1 1360 . 1 . 1 131 131 LYS C C 13 178.537 0.015 . 1 . . . . A 131 LYS C . 31140 1 1361 . 1 . 1 131 131 LYS CA C 13 58.026 0.155 . 1 . . . . A 131 LYS CA . 31140 1 1362 . 1 . 1 131 131 LYS CB C 13 30.697 0.060 . 1 . . . . A 131 LYS CB . 31140 1 1363 . 1 . 1 131 131 LYS CG C 13 24.927 0.000 . 1 . . . . A 131 LYS CG . 31140 1 1364 . 1 . 1 131 131 LYS CD C 13 28.044 0.053 . 1 . . . . A 131 LYS CD . 31140 1 1365 . 1 . 1 131 131 LYS N N 15 119.383 0.000 . 1 . . . . A 131 LYS N . 31140 1 1366 . 1 . 1 132 132 LYS H H 1 8.250 0.000 . 1 . . . . A 132 LYS H . 31140 1 1367 . 1 . 1 132 132 LYS HA H 1 3.767 0.004 . 1 . . . . A 132 LYS HA . 31140 1 1368 . 1 . 1 132 132 LYS C C 13 178.112 0.046 . 1 . . . . A 132 LYS C . 31140 1 1369 . 1 . 1 132 132 LYS CA C 13 59.002 0.336 . 1 . . . . A 132 LYS CA . 31140 1 1370 . 1 . 1 132 132 LYS CB C 13 32.431 0.085 . 1 . . . . A 132 LYS CB . 31140 1 1371 . 1 . 1 132 132 LYS CG C 13 25.693 0.000 . 1 . . . . A 132 LYS CG . 31140 1 1372 . 1 . 1 132 132 LYS CD C 13 29.677 0.000 . 1 . . . . A 132 LYS CD . 31140 1 1373 . 1 . 1 132 132 LYS CE C 13 42.241 0.000 . 1 . . . . A 132 LYS CE . 31140 1 1374 . 1 . 1 132 132 LYS N N 15 118.011 0.000 . 1 . . . . A 132 LYS N . 31140 1 1375 . 1 . 1 133 133 LYS H H 1 7.775 0.006 . 1 . . . . A 133 LYS H . 31140 1 1376 . 1 . 1 133 133 LYS HA H 1 4.121 0.007 . 1 . . . . A 133 LYS HA . 31140 1 1377 . 1 . 1 133 133 LYS HB2 H 1 1.882 0.010 . 2 . . . . A 133 LYS HB2 . 31140 1 1378 . 1 . 1 133 133 LYS HB3 H 1 1.893 0.000 . 2 . . . . A 133 LYS HB3 . 31140 1 1379 . 1 . 1 133 133 LYS C C 13 179.877 0.000 . 1 . . . . A 133 LYS C . 31140 1 1380 . 1 . 1 133 133 LYS CA C 13 58.378 0.003 . 1 . . . . A 133 LYS CA . 31140 1 1381 . 1 . 1 133 133 LYS CB C 13 32.616 0.000 . 1 . . . . A 133 LYS CB . 31140 1 1382 . 1 . 1 133 133 LYS CG C 13 25.234 0.000 . 1 . . . . A 133 LYS CG . 31140 1 1383 . 1 . 1 133 133 LYS CD C 13 29.524 0.000 . 1 . . . . A 133 LYS CD . 31140 1 1384 . 1 . 1 133 133 LYS N N 15 119.089 0.000 . 1 . . . . A 133 LYS N . 31140 1 1385 . 1 . 1 134 134 GLU H H 1 8.045 0.006 . 1 . . . . A 134 GLU H . 31140 1 1386 . 1 . 1 134 134 GLU HA H 1 4.013 0.030 . 1 . . . . A 134 GLU HA . 31140 1 1387 . 1 . 1 134 134 GLU HB2 H 1 2.101 0.020 . 2 . . . . A 134 GLU HB2 . 31140 1 1388 . 1 . 1 134 134 GLU HB3 H 1 2.069 0.000 . 2 . . . . A 134 GLU HB3 . 31140 1 1389 . 1 . 1 134 134 GLU HG2 H 1 2.395 0.001 . 2 . . . . A 134 GLU HG2 . 31140 1 1390 . 1 . 1 134 134 GLU HG3 H 1 2.394 0.000 . 2 . . . . A 134 GLU HG3 . 31140 1 1391 . 1 . 1 134 134 GLU C C 13 178.393 0.000 . 1 . . . . A 134 GLU C . 31140 1 1392 . 1 . 1 134 134 GLU CA C 13 58.381 0.000 . 1 . . . . A 134 GLU CA . 31140 1 1393 . 1 . 1 134 134 GLU CB C 13 30.129 0.000 . 1 . . . . A 134 GLU CB . 31140 1 1394 . 1 . 1 134 134 GLU CG C 13 36.566 0.005 . 1 . . . . A 134 GLU CG . 31140 1 1395 . 1 . 1 134 134 GLU N N 15 119.306 0.106 . 1 . . . . A 134 GLU N . 31140 1 1396 . 1 . 1 135 135 VAL H H 1 7.741 0.009 . 1 . . . . A 135 VAL H . 31140 1 1397 . 1 . 1 135 135 VAL HA H 1 4.059 0.018 . 1 . . . . A 135 VAL HA . 31140 1 1398 . 1 . 1 135 135 VAL HB H 1 2.216 0.022 . 1 . . . . A 135 VAL HB . 31140 1 1399 . 1 . 1 135 135 VAL HG11 H 1 1.113 0.000 . 2 . . . . A 135 VAL HG11 . 31140 1 1400 . 1 . 1 135 135 VAL HG12 H 1 1.113 0.000 . 2 . . . . A 135 VAL HG12 . 31140 1 1401 . 1 . 1 135 135 VAL HG13 H 1 1.113 0.000 . 2 . . . . A 135 VAL HG13 . 31140 1 1402 . 1 . 1 135 135 VAL HG21 H 1 1.058 0.011 . 2 . . . . A 135 VAL HG21 . 31140 1 1403 . 1 . 1 135 135 VAL HG22 H 1 1.058 0.011 . 2 . . . . A 135 VAL HG22 . 31140 1 1404 . 1 . 1 135 135 VAL HG23 H 1 1.058 0.011 . 2 . . . . A 135 VAL HG23 . 31140 1 1405 . 1 . 1 135 135 VAL C C 13 176.407 0.019 . 1 . . . . A 135 VAL C . 31140 1 1406 . 1 . 1 135 135 VAL CA C 13 63.951 0.001 . 1 . . . . A 135 VAL CA . 31140 1 1407 . 1 . 1 135 135 VAL CB C 13 31.964 0.032 . 1 . . . . A 135 VAL CB . 31140 1 1408 . 1 . 1 135 135 VAL CG1 C 13 21.414 0.000 . 2 . . . . A 135 VAL CG1 . 31140 1 1409 . 1 . 1 135 135 VAL CG2 C 13 21.992 0.000 . 2 . . . . A 135 VAL CG2 . 31140 1 1410 . 1 . 1 135 135 VAL N N 15 116.370 0.000 . 1 . . . . A 135 VAL N . 31140 1 1411 . 1 . 1 136 136 ASN H H 1 7.889 0.012 . 1 . . . . A 136 ASN H . 31140 1 1412 . 1 . 1 136 136 ASN HA H 1 4.708 0.013 . 1 . . . . A 136 ASN HA . 31140 1 1413 . 1 . 1 136 136 ASN HB2 H 1 2.835 0.010 . 2 . . . . A 136 ASN HB2 . 31140 1 1414 . 1 . 1 136 136 ASN HB3 H 1 2.757 0.008 . 2 . . . . A 136 ASN HB3 . 31140 1 1415 . 1 . 1 136 136 ASN C C 13 175.183 0.048 . 1 . . . . A 136 ASN C . 31140 1 1416 . 1 . 1 136 136 ASN CA C 13 54.101 0.057 . 1 . . . . A 136 ASN CA . 31140 1 1417 . 1 . 1 136 136 ASN CB C 13 39.480 0.000 . 1 . . . . A 136 ASN CB . 31140 1 1418 . 1 . 1 136 136 ASN N N 15 118.517 0.000 . 1 . . . . A 136 ASN N . 31140 1 1419 . 1 . 1 137 137 GLN H H 1 7.924 0.005 . 1 . . . . A 137 GLN H . 31140 1 1420 . 1 . 1 137 137 GLN HA H 1 4.393 0.008 . 1 . . . . A 137 GLN HA . 31140 1 1421 . 1 . 1 137 137 GLN HB2 H 1 2.177 0.012 . 2 . . . . A 137 GLN HB2 . 31140 1 1422 . 1 . 1 137 137 GLN HB3 H 1 2.053 0.007 . 2 . . . . A 137 GLN HB3 . 31140 1 1423 . 1 . 1 137 137 GLN HG2 H 1 2.415 0.002 . 1 . . . . A 137 GLN HG2 . 31140 1 1424 . 1 . 1 137 137 GLN C C 13 175.347 0.000 . 1 . . . . A 137 GLN C . 31140 1 1425 . 1 . 1 137 137 GLN CA C 13 56.191 0.001 . 1 . . . . A 137 GLN CA . 31140 1 1426 . 1 . 1 137 137 GLN CB C 13 29.532 0.000 . 1 . . . . A 137 GLN CB . 31140 1 1427 . 1 . 1 137 137 GLN CG C 13 34.044 0.000 . 1 . . . . A 137 GLN CG . 31140 1 1428 . 1 . 1 137 137 GLN N N 15 119.742 0.000 . 1 . . . . A 137 GLN N . 31140 1 1429 . 1 . 1 138 138 THR H H 1 7.797 0.006 . 1 . . . . A 138 THR H . 31140 1 1430 . 1 . 1 138 138 THR HA H 1 4.146 0.003 . 1 . . . . A 138 THR HA . 31140 1 1431 . 1 . 1 138 138 THR HB H 1 4.244 0.009 . 1 . . . . A 138 THR HB . 31140 1 1432 . 1 . 1 138 138 THR HG21 H 1 1.196 0.007 . 1 . . . . A 138 THR HG21 . 31140 1 1433 . 1 . 1 138 138 THR HG22 H 1 1.196 0.007 . 1 . . . . A 138 THR HG22 . 31140 1 1434 . 1 . 1 138 138 THR HG23 H 1 1.196 0.007 . 1 . . . . A 138 THR HG23 . 31140 1 1435 . 1 . 1 138 138 THR C C 13 179.202 0.000 . 1 . . . . A 138 THR C . 31140 1 1436 . 1 . 1 138 138 THR CA C 13 63.547 0.088 . 1 . . . . A 138 THR CA . 31140 1 1437 . 1 . 1 138 138 THR CB C 13 70.834 0.019 . 1 . . . . A 138 THR CB . 31140 1 1438 . 1 . 1 138 138 THR CG2 C 13 22.126 0.006 . 1 . . . . A 138 THR CG2 . 31140 1 1439 . 1 . 1 138 138 THR N N 15 120.428 0.000 . 1 . . . . A 138 THR N . 31140 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 31140 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 #INAME 1 H #INAME 2 N 1 106.632 7.712 1 T 3.212e+07 0.00e+00 a 0 0 0 0 2 107.362 8.169 1 T 4.457e+07 0.00e+00 a 0 0 0 0 3 107.758 8.283 1 T 4.042e+07 0.00e+00 a 0 0 0 0 4 109.554 8.287 1 T 5.989e+07 0.00e+00 a 0 0 0 0 5 110.832 8.953 1 T 2.392e+07 0.00e+00 a 0 0 0 0 6 114.424 9.169 1 T 4.979e+07 0.00e+00 a 0 0 0 0 7 110.071 7.545 1 T 3.693e+07 0.00e+00 a 0 0 0 0 8 110.010 7.396 1 T 6.611e+07 0.00e+00 a 0 0 0 0 9 112.537 6.639 1 T 6.711e+07 0.00e+00 a 0 0 0 0 10 115.154 6.635 1 T 4.722e+07 0.00e+00 a 0 0 0 0 11 114.667 7.183 1 T 5.999e+07 0.00e+00 a 0 0 0 0 12 117.681 7.202 1 T 7.780e+07 0.00e+00 a 0 0 0 0 13 120.085 7.058 1 T 5.537e+07 0.00e+00 a 0 0 0 0 14 121.090 6.955 1 T 5.245e+07 0.00e+00 a 0 0 0 0 15 124.407 7.183 1 T 2.618e+07 0.00e+00 a 0 0 0 0 16 124.377 7.001 1 T 5.187e+07 0.00e+00 a 0 0 0 0 17 112.893 6.841 1 T 1.498e+08 0.00e+00 a 0 0 0 0 18 120.295 7.483 1 T 6.126e+07 0.00e+00 a 0 0 0 0 19 121.659 7.464 1 T 5.284e+07 0.00e+00 a 0 0 0 0 20 123.704 7.833 1 T 3.413e+07 0.00e+00 a 0 0 0 0 21 125.677 7.866 1 T 3.514e+07 0.00e+00 a 0 0 0 0 23 129.573 7.732 1 T 3.705e+07 0.00e+00 a 0 0 0 0 24 128.647 8.018 1 T 4.188e+07 0.00e+00 a 0 0 0 0 25 132.799 9.669 1 T 3.545e+07 0.00e+00 a 0 0 0 0 26 109.290 8.976 1 T 9.930e+06 0.00e+00 a 0 0 0 0 27 118.497 9.651 1 T 3.510e+07 0.00e+00 a 0 0 0 0 28 117.387 9.208 1 T 2.979e+07 0.00e+00 a 0 0 0 0 29 117.207 9.096 1 T 3.576e+07 0.00e+00 a 0 0 0 0 30 121.586 9.238 1 T 4.269e+07 0.00e+00 a 0 0 0 0 31 122.246 9.171 1 T 2.350e+07 0.00e+00 a 0 0 0 0 32 113.990 8.381 1 T 4.935e+07 0.00e+00 a 0 0 0 0 33 113.683 8.242 1 T 4.838e+07 0.00e+00 a 0 0 0 0 34 114.029 7.933 1 T 7.000e+07 0.00e+00 a 0 0 0 0 35 115.526 7.818 1 T 7.072e+07 0.00e+00 a 0 0 0 0 36 116.370 7.722 1 T 8.772e+07 0.00e+00 a 0 0 0 0 37 115.545 7.981 1 T 5.409e+07 0.00e+00 a 0 0 0 0 38 116.274 7.988 1 T 9.692e+07 0.00e+00 a 0 0 0 0 39 116.946 8.019 1 T 3.929e+07 0.00e+00 a 0 0 0 0 40 116.236 8.118 1 T 5.819e+07 0.00e+00 a 0 0 0 0 41 114.605 8.204 1 T 2.390e+07 0.00e+00 a 0 0 0 0 42 115.200 8.221 1 T 4.439e+07 0.00e+00 a 0 0 0 0 43 115.027 8.369 1 T 2.620e+07 0.00e+00 a 0 0 0 0 44 115.430 8.439 1 T 4.029e+07 0.00e+00 a 0 0 0 0 45 115.737 8.681 1 T 4.728e+07 0.00e+00 a 0 0 0 0 46 116.889 8.660 1 T 6.841e+07 0.00e+00 a 0 0 0 0 48 117.541 8.571 1 T 3.098e+07 0.00e+00 a 0 0 0 0 49 117.100 8.480 1 T 5.942e+07 0.00e+00 a 0 0 0 0 50 117.004 8.312 1 T 4.971e+07 0.00e+00 a 0 0 0 0 51 118.962 8.525 1 T 5.889e+07 0.00e+00 a 0 0 0 0 52 120.113 8.585 1 T 5.736e+07 0.00e+00 a 0 0 0 0 53 120.286 8.614 1 T 8.717e+07 0.00e+00 a 0 0 0 0 54 120.382 8.626 1 T 5.717e+07 0.00e+00 a 0 0 0 0 55 121.802 8.559 1 T 6.460e+07 0.00e+00 a 0 0 0 0 56 122.455 8.427 1 T 1.623e+08 0.00e+00 a 0 0 0 0 57 122.033 8.266 1 T 4.414e+07 0.00e+00 a 0 0 0 0 59 122.849 8.242 1 T 7.489e+07 0.00e+00 a 0 0 0 0 60 123.193 8.192 1 T 1.273e+08 0.00e+00 a 0 0 0 0 61 122.994 8.141 1 T 9.809e+07 0.00e+00 a 0 0 0 0 62 122.813 8.072 1 T 1.317e+08 0.00e+00 a 0 0 0 0 63 123.560 8.050 1 T 6.878e+07 0.00e+00 a 0 0 0 0 66 124.534 8.306 1 T 4.475e+07 0.00e+00 a 0 0 0 0 67 124.950 8.272 1 T 3.926e+07 0.00e+00 a 0 0 0 0 68 125.077 8.408 1 T 6.253e+07 0.00e+00 a 0 0 0 0 69 125.820 8.297 1 T 3.606e+07 0.00e+00 a 0 0 0 0 70 127.224 8.584 1 T 5.072e+07 0.00e+00 a 0 0 0 0 71 123.229 8.384 1 T 6.214e+07 0.00e+00 a 0 0 0 0 72 123.402 8.415 1 T 7.295e+07 0.00e+00 a 0 0 0 0 73 124.099 8.606 1 T 3.220e+07 0.00e+00 a 0 0 0 0 74 124.298 8.543 1 T 1.024e+08 0.00e+00 a 0 0 0 0 75 122.478 8.643 1 T 7.509e+07 0.00e+00 a 0 0 0 0 76 123.175 8.731 1 T 6.013e+07 0.00e+00 a 0 0 0 0 77 123.546 8.701 1 T 6.168e+07 0.00e+00 a 0 0 0 0 78 124.189 8.785 1 T 6.995e+07 0.00e+00 a 0 0 0 0 79 124.389 8.871 1 T 6.450e+07 0.00e+00 a 0 0 0 0 80 123.030 8.904 1 T 6.063e+07 0.00e+00 a 0 0 0 0 81 123.429 8.924 1 T 6.047e+07 0.00e+00 a 0 0 0 0 82 121.409 9.031 1 T 1.808e+07 0.00e+00 a 0 0 0 0 83 121.391 8.724 1 T 3.501e+07 0.00e+00 a 0 0 0 0 84 125.901 9.102 1 T 5.006e+07 0.00e+00 a 0 0 0 0 85 119.226 8.974 1 T 5.988e+07 0.00e+00 a 0 0 0 0 86 119.408 8.873 1 T 4.331e+07 0.00e+00 a 0 0 0 0 87 120.295 8.868 1 T 4.735e+07 0.00e+00 a 0 0 0 0 88 118.130 8.662 1 T 2.649e+07 0.00e+00 a 0 0 0 0 89 127.896 9.993 1 T 7.046e+07 0.00e+00 a 0 0 0 0 90 129.676 10.260 1 T 2.050e+07 0.00e+00 a 0 0 0 0 91 118.419 8.306 1 T 3.879e+07 0.00e+00 a 0 0 0 0 92 118.885 8.252 1 T 8.322e+07 0.00e+00 a 0 0 0 0 93 119.122 8.219 1 T 1.128e+08 0.00e+00 a 0 0 0 0 94 119.555 8.220 1 T 1.320e+08 0.00e+00 a 0 0 0 0 95 119.808 8.193 1 T 8.004e+07 0.00e+00 a 0 0 0 0 97 119.383 7.966 1 T 6.287e+07 0.00e+00 a 0 0 0 0 98 119.742 7.912 1 T 5.565e+07 0.00e+00 a 0 0 0 0 99 118.517 7.868 1 T 4.413e+07 0.00e+00 a 0 0 0 0 100 117.480 7.713 1 T 4.790e+07 0.00e+00 a 0 0 0 0 101 118.084 7.696 1 T 1.061e+08 0.00e+00 a 0 0 0 0 102 118.011 7.657 1 T 8.939e+07 0.00e+00 a 0 0 0 0 103 117.570 7.607 1 T 3.128e+07 0.00e+00 a 0 0 0 0 104 118.689 7.588 1 T 5.079e+07 0.00e+00 a 0 0 0 0 105 119.301 7.621 1 T 5.194e+07 0.00e+00 a 0 0 0 0 106 120.984 7.766 1 T 3.804e+07 0.00e+00 a 0 0 0 0 107 120.428 7.798 1 T 2.779e+08 0.00e+00 a 0 0 0 0 108 120.379 7.703 1 T 1.369e+08 0.00e+00 a 0 0 0 0 109 120.559 7.701 1 T 1.266e+08 0.00e+00 a 0 0 0 0 110 121.172 7.938 1 T 6.594e+07 0.00e+00 a 0 0 0 0 111 119.089 7.779 1 T 8.992e+07 0.00e+00 a 0 0 0 0 112 119.653 8.360 1 T 5.633e+07 0.00e+00 a 0 0 0 0 113 119.857 8.309 1 T 6.824e+07 0.00e+00 a 0 0 0 0 115 120.477 8.255 1 T 9.339e+07 0.00e+00 a 0 0 0 0 116 120.747 8.191 1 T 7.853e+07 0.00e+00 a 0 0 0 0 117 120.575 8.143 1 T 1.436e+08 0.00e+00 a 0 0 0 0 118 120.428 8.140 1 T 1.082e+08 0.00e+00 a 0 0 0 0 119 120.755 8.086 1 T 1.243e+08 0.00e+00 a 0 0 0 0 120 121.245 8.071 1 T 1.378e+08 0.00e+00 a 0 0 0 0 122 120.812 8.008 1 T 1.203e+08 0.00e+00 a 0 0 0 0 123 119.955 8.028 1 T 2.443e+08 0.00e+00 a 0 0 0 0 124 119.383 8.052 1 T 1.834e+08 0.00e+00 a 0 0 0 0 127 117.245 8.810 1 T 6.090e+07 0.00e+00 a 0 0 0 0 128 113.913 8.778 1 T 7.154e+06 0.00e+00 a 0 0 0 0 129 126.935 9.078 1 T 8.313e+06 0.00e+00 a 0 0 0 0 131 120.306 8.258 1 T 7.662e+07 0.00e+00 a 0 0 0 0 133 113.962 8.026 1 T 7.311e+06 0.00e+00 a 0 0 0 0 134 128.411 8.972 1 T 1.258e+05 0.00e+00 a 0 0 0 0 135 125.350 9.480 1 T 3.050e+05 0.00e+00 a 0 0 0 0 136 127.663 7.833 1 T 4.337e+05 0.00e+00 a 0 0 0 0 139 109.760 7.222 1 T 1.079e+07 0.00e+00 a 0 0 0 0 140 109.689 6.485 1 T 8.233e+06 0.00e+00 a 0 0 0 0 141 116.236 6.796 1 T 4.326e+07 0.00e+00 a 0 0 0 0 142 116.236 8.079 1 T 5.439e+07 0.00e+00 a 0 0 0 0 143 117.179 6.681 1 T 1.655e+07 0.00e+00 a 0 0 0 0 144 117.202 7.580 1 T 1.833e+07 0.00e+00 a 0 0 0 0 145 114.205 6.855 1 T 9.498e+07 0.00e+00 a 0 0 0 0 146 114.183 8.571 1 T 9.160e+07 0.00e+00 a 0 0 0 0 147 111.518 7.204 1 T 2.410e+07 0.00e+00 a 0 0 0 0 148 111.536 7.613 1 T 5.213e+07 0.00e+00 a 0 0 0 0 150 111.464 6.728 1 T 8.141e+07 0.00e+00 a 0 0 0 0 151 111.518 7.541 1 T 7.135e+07 0.00e+00 a 0 0 0 0 153 111.970 6.702 1 T 1.398e+08 0.00e+00 a 0 0 0 0 154 111.970 7.481 1 T 1.470e+08 0.00e+00 a 0 0 0 0 155 112.085 6.820 1 T 1.627e+08 0.00e+00 a 0 0 0 0 156 112.115 7.709 1 T 1.635e+08 0.00e+00 a 0 0 0 0 161 113.016 6.948 1 T 2.443e+08 0.00e+00 a 0 0 0 0 162 112.986 7.574 1 T 1.676e+08 0.00e+00 a 0 0 0 0 163 106.768 6.521 1 T 1.852e+07 0.00e+00 a 0 0 0 0 164 106.719 7.099 1 T 1.888e+07 0.00e+00 a 0 0 0 0 166 122.235 8.424 1 T 1.089e+08 0.00e+00 a 0 0 0 0 168 118.979 8.151 1 T 5.032e+07 0.00e+00 a 0 0 0 0 169 113.045 7.786 1 T 8.130e+07 0.00e+00 a 0 0 0 0 170 113.045 7.032 1 T 9.681e+07 0.00e+00 a 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 10504.202 Hz . . . 4.773 . . 31140 1 2 . . N 15 N . folded 2270.663 Hz . . . 120.078 . . 31140 1 stop_ save_