data_52562 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52562 _Entry.Title ; NMR resonance assignment for the Rtt103 CID domain from C. thermophilum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-19 _Entry.Accession_date 2024-07-19 _Entry.Last_release_date 2024-07-19 _Entry.Original_release_date 2024-07-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Jan Overbeck . H. . 0000-0002-9386-7062 52562 2 Remco Sprangers . . . 0000-0001-7323-6047 52562 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52562 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 52562 '15N chemical shifts' 120 52562 '1H chemical shifts' 505 52562 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 . 52562 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52562 _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 ; Assembly of the Xrn2/Rat1-Rai1-Rtt103 termination complexes in mesophilic and thermophilic organisms ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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 Alzbeta Dikunova . . . . 52562 1 2 Nikola Noskova . . . . 52562 1 3 Jan Overbeck . H. . . 52562 1 4 Martin Polak . . . . 52562 1 5 David Zapletal . . . . 52562 1 6 Karel Kubicek . . . . 52562 1 7 Jirka Novacek . . . . 52562 1 8 David Stelzig . . . . 52562 1 9 Remco Sprangers . . . . 52562 1 10 Richard Stefl . . . . 52562 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52562 _Assembly.ID 1 _Assembly.Name 'Rtt103 CID' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rtt103 CID' 1 $entity_1 . . yes native no no . . . 52562 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52562 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAYTDDAVLSKLSALNES HDSIATTAQWIMFHRRHASQ TVHLWLTKLKDLPSHKRLNM IYLANEVTQQSKARHKDDFL NAFSPYIADATALAYKGAPP DIQAKLRRVLDVWKERCIFD RDILQDIEAKFAEIDRSRPQ A ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 141 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52562 1 2 . ALA . 52562 1 3 . MET . 52562 1 4 . ALA . 52562 1 5 . TYR . 52562 1 6 . THR . 52562 1 7 . ASP . 52562 1 8 . ASP . 52562 1 9 . ALA . 52562 1 10 . VAL . 52562 1 11 . LEU . 52562 1 12 . SER . 52562 1 13 . LYS . 52562 1 14 . LEU . 52562 1 15 . SER . 52562 1 16 . ALA . 52562 1 17 . LEU . 52562 1 18 . ASN . 52562 1 19 . GLU . 52562 1 20 . SER . 52562 1 21 . HIS . 52562 1 22 . ASP . 52562 1 23 . SER . 52562 1 24 . ILE . 52562 1 25 . ALA . 52562 1 26 . THR . 52562 1 27 . THR . 52562 1 28 . ALA . 52562 1 29 . GLN . 52562 1 30 . TRP . 52562 1 31 . ILE . 52562 1 32 . MET . 52562 1 33 . PHE . 52562 1 34 . HIS . 52562 1 35 . ARG . 52562 1 36 . ARG . 52562 1 37 . HIS . 52562 1 38 . ALA . 52562 1 39 . SER . 52562 1 40 . GLN . 52562 1 41 . THR . 52562 1 42 . VAL . 52562 1 43 . HIS . 52562 1 44 . LEU . 52562 1 45 . TRP . 52562 1 46 . LEU . 52562 1 47 . THR . 52562 1 48 . LYS . 52562 1 49 . LEU . 52562 1 50 . LYS . 52562 1 51 . ASP . 52562 1 52 . LEU . 52562 1 53 . PRO . 52562 1 54 . SER . 52562 1 55 . HIS . 52562 1 56 . LYS . 52562 1 57 . ARG . 52562 1 58 . LEU . 52562 1 59 . ASN . 52562 1 60 . MET . 52562 1 61 . ILE . 52562 1 62 . TYR . 52562 1 63 . LEU . 52562 1 64 . ALA . 52562 1 65 . ASN . 52562 1 66 . GLU . 52562 1 67 . VAL . 52562 1 68 . THR . 52562 1 69 . GLN . 52562 1 70 . GLN . 52562 1 71 . SER . 52562 1 72 . LYS . 52562 1 73 . ALA . 52562 1 74 . ARG . 52562 1 75 . HIS . 52562 1 76 . LYS . 52562 1 77 . ASP . 52562 1 78 . ASP . 52562 1 79 . PHE . 52562 1 80 . LEU . 52562 1 81 . ASN . 52562 1 82 . ALA . 52562 1 83 . PHE . 52562 1 84 . SER . 52562 1 85 . PRO . 52562 1 86 . TYR . 52562 1 87 . ILE . 52562 1 88 . ALA . 52562 1 89 . ASP . 52562 1 90 . ALA . 52562 1 91 . THR . 52562 1 92 . ALA . 52562 1 93 . LEU . 52562 1 94 . ALA . 52562 1 95 . TYR . 52562 1 96 . LYS . 52562 1 97 . GLY . 52562 1 98 . ALA . 52562 1 99 . PRO . 52562 1 100 . PRO . 52562 1 101 . ASP . 52562 1 102 . ILE . 52562 1 103 . GLN . 52562 1 104 . ALA . 52562 1 105 . LYS . 52562 1 106 . LEU . 52562 1 107 . ARG . 52562 1 108 . ARG . 52562 1 109 . VAL . 52562 1 110 . LEU . 52562 1 111 . ASP . 52562 1 112 . VAL . 52562 1 113 . TRP . 52562 1 114 . LYS . 52562 1 115 . GLU . 52562 1 116 . ARG . 52562 1 117 . CYS . 52562 1 118 . ILE . 52562 1 119 . PHE . 52562 1 120 . ASP . 52562 1 121 . ARG . 52562 1 122 . ASP . 52562 1 123 . ILE . 52562 1 124 . LEU . 52562 1 125 . GLN . 52562 1 126 . ASP . 52562 1 127 . ILE . 52562 1 128 . GLU . 52562 1 129 . ALA . 52562 1 130 . LYS . 52562 1 131 . PHE . 52562 1 132 . ALA . 52562 1 133 . GLU . 52562 1 134 . ILE . 52562 1 135 . ASP . 52562 1 136 . ARG . 52562 1 137 . SER . 52562 1 138 . ARG . 52562 1 139 . PRO . 52562 1 140 . GLN . 52562 1 141 . ALA . 52562 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 52562 1 . ALA 2 2 52562 1 . MET 3 3 52562 1 . ALA 4 4 52562 1 . TYR 5 5 52562 1 . THR 6 6 52562 1 . ASP 7 7 52562 1 . ASP 8 8 52562 1 . ALA 9 9 52562 1 . VAL 10 10 52562 1 . LEU 11 11 52562 1 . SER 12 12 52562 1 . LYS 13 13 52562 1 . LEU 14 14 52562 1 . SER 15 15 52562 1 . ALA 16 16 52562 1 . LEU 17 17 52562 1 . ASN 18 18 52562 1 . GLU 19 19 52562 1 . SER 20 20 52562 1 . HIS 21 21 52562 1 . ASP 22 22 52562 1 . SER 23 23 52562 1 . ILE 24 24 52562 1 . ALA 25 25 52562 1 . THR 26 26 52562 1 . THR 27 27 52562 1 . ALA 28 28 52562 1 . GLN 29 29 52562 1 . TRP 30 30 52562 1 . ILE 31 31 52562 1 . MET 32 32 52562 1 . PHE 33 33 52562 1 . HIS 34 34 52562 1 . ARG 35 35 52562 1 . ARG 36 36 52562 1 . HIS 37 37 52562 1 . ALA 38 38 52562 1 . SER 39 39 52562 1 . GLN 40 40 52562 1 . THR 41 41 52562 1 . VAL 42 42 52562 1 . HIS 43 43 52562 1 . LEU 44 44 52562 1 . TRP 45 45 52562 1 . LEU 46 46 52562 1 . THR 47 47 52562 1 . LYS 48 48 52562 1 . LEU 49 49 52562 1 . LYS 50 50 52562 1 . ASP 51 51 52562 1 . LEU 52 52 52562 1 . PRO 53 53 52562 1 . SER 54 54 52562 1 . HIS 55 55 52562 1 . LYS 56 56 52562 1 . ARG 57 57 52562 1 . LEU 58 58 52562 1 . ASN 59 59 52562 1 . MET 60 60 52562 1 . ILE 61 61 52562 1 . TYR 62 62 52562 1 . LEU 63 63 52562 1 . ALA 64 64 52562 1 . ASN 65 65 52562 1 . GLU 66 66 52562 1 . VAL 67 67 52562 1 . THR 68 68 52562 1 . GLN 69 69 52562 1 . GLN 70 70 52562 1 . SER 71 71 52562 1 . LYS 72 72 52562 1 . ALA 73 73 52562 1 . ARG 74 74 52562 1 . HIS 75 75 52562 1 . LYS 76 76 52562 1 . ASP 77 77 52562 1 . ASP 78 78 52562 1 . PHE 79 79 52562 1 . LEU 80 80 52562 1 . ASN 81 81 52562 1 . ALA 82 82 52562 1 . PHE 83 83 52562 1 . SER 84 84 52562 1 . PRO 85 85 52562 1 . TYR 86 86 52562 1 . ILE 87 87 52562 1 . ALA 88 88 52562 1 . ASP 89 89 52562 1 . ALA 90 90 52562 1 . THR 91 91 52562 1 . ALA 92 92 52562 1 . LEU 93 93 52562 1 . ALA 94 94 52562 1 . TYR 95 95 52562 1 . LYS 96 96 52562 1 . GLY 97 97 52562 1 . ALA 98 98 52562 1 . PRO 99 99 52562 1 . PRO 100 100 52562 1 . ASP 101 101 52562 1 . ILE 102 102 52562 1 . GLN 103 103 52562 1 . ALA 104 104 52562 1 . LYS 105 105 52562 1 . LEU 106 106 52562 1 . ARG 107 107 52562 1 . ARG 108 108 52562 1 . VAL 109 109 52562 1 . LEU 110 110 52562 1 . ASP 111 111 52562 1 . VAL 112 112 52562 1 . TRP 113 113 52562 1 . LYS 114 114 52562 1 . GLU 115 115 52562 1 . ARG 116 116 52562 1 . CYS 117 117 52562 1 . ILE 118 118 52562 1 . PHE 119 119 52562 1 . ASP 120 120 52562 1 . ARG 121 121 52562 1 . ASP 122 122 52562 1 . ILE 123 123 52562 1 . LEU 124 124 52562 1 . GLN 125 125 52562 1 . ASP 126 126 52562 1 . ILE 127 127 52562 1 . GLU 128 128 52562 1 . ALA 129 129 52562 1 . LYS 130 130 52562 1 . PHE 131 131 52562 1 . ALA 132 132 52562 1 . GLU 133 133 52562 1 . ILE 134 134 52562 1 . ASP 135 135 52562 1 . ARG 136 136 52562 1 . SER 137 137 52562 1 . ARG 138 138 52562 1 . PRO 139 139 52562 1 . GLN 140 140 52562 1 . ALA 141 141 52562 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52562 _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 . 209285 organism . 'Chaetomium thermophilum' 'Chaetomium thermophilum' . . Eukaryota Fungi Chaetomium thermophilum . . . . . . . . . . . . . 52562 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52562 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pETM11 . . . 52562 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52562 _Sample.ID 1 _Sample.Name CtRtt103_CID _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rtt103 CID' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 800 . . uM . . . . 52562 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52562 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 52562 1 4 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 52562 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 52562 _Sample_condition_list.ID 1 _Sample_condition_list.Name CID_conditions _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 52562 1 pH 7.3 . pH 52562 1 pressure 1 . atm 52562 1 temperature 293 . K 52562 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52562 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52562 1 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 52562 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE NEO 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52562 _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 TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 5 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 6 '3D HCCH-TOCSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 7 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 8 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 1 9 '3D 13C-separated NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52562 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 52562 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name CID_assigned_shifts.str _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 water protons . . . . ppm 4.7 na indirect 0.25144953 . . . . . 52562 1 H 1 water protons . . . . ppm 4.7 na direct 1 . . . . . 52562 1 N 15 water protons . . . . ppm 4.7 na indirect 0.10132912 . . . . . 52562 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 52562 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'CID shifts' _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 TROSY' . . . 52562 1 2 '2D 1H-13C HSQC' . . . 52562 1 3 '3D HNCO' . . . 52562 1 4 '3D HNCACB' . . . 52562 1 5 '3D HNCACO' . . . 52562 1 6 '3D HCCH-TOCSY' . . . 52562 1 7 '3D H(CCO)NH' . . . 52562 1 8 '3D C(CO)NH' . . . 52562 1 9 '3D 13C-separated NOESY' . . . 52562 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52562 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 3 3 MET HE1 H 1 1.816 0.020 . 1 . . . . . 3 MET HE . 52562 1 2 . 1 . 1 3 3 MET HE2 H 1 1.816 0.020 . 1 . . . . . 3 MET HE . 52562 1 3 . 1 . 1 3 3 MET HE3 H 1 1.816 0.020 . 1 . . . . . 3 MET HE . 52562 1 4 . 1 . 1 3 3 MET CE C 13 16.486 0.3 . 1 . . . . . 3 MET CE . 52562 1 5 . 1 . 1 4 4 ALA H H 1 8.218 0.020 . 1 . . . . . 4 ALA H . 52562 1 6 . 1 . 1 4 4 ALA HA H 1 4.321 0.020 . 1 . . . . . 4 ALA HA . 52562 1 7 . 1 . 1 4 4 ALA C C 13 176.661 0.3 . 1 . . . . . 4 ALA C . 52562 1 8 . 1 . 1 4 4 ALA CA C 13 52.531 0.3 . 1 . . . . . 4 ALA CA . 52562 1 9 . 1 . 1 4 4 ALA CB C 13 19.194 0.3 . 1 . . . . . 4 ALA CB . 52562 1 10 . 1 . 1 4 4 ALA N N 15 126.913 0.3 . 1 . . . . . 4 ALA N . 52562 1 11 . 1 . 1 5 5 TYR H H 1 8.462 0.020 . 1 . . . . . 5 TYR H . 52562 1 12 . 1 . 1 5 5 TYR HA H 1 3.730 0.020 . 1 . . . . . 5 TYR HA . 52562 1 13 . 1 . 1 5 5 TYR C C 13 175.291 0.3 . 1 . . . . . 5 TYR C . 52562 1 14 . 1 . 1 5 5 TYR CA C 13 60.493 0.3 . 1 . . . . . 5 TYR CA . 52562 1 15 . 1 . 1 5 5 TYR CB C 13 37.924 0.3 . 1 . . . . . 5 TYR CB . 52562 1 16 . 1 . 1 5 5 TYR N N 15 123.011 0.3 . 1 . . . . . 5 TYR N . 52562 1 17 . 1 . 1 6 6 THR H H 1 6.439 0.020 . 1 . . . . . 6 THR H . 52562 1 18 . 1 . 1 6 6 THR HG21 H 1 1.084 0.020 . 1 . . . . . 6 THR HG2 . 52562 1 19 . 1 . 1 6 6 THR HG22 H 1 1.084 0.020 . 1 . . . . . 6 THR HG2 . 52562 1 20 . 1 . 1 6 6 THR HG23 H 1 1.084 0.020 . 1 . . . . . 6 THR HG2 . 52562 1 21 . 1 . 1 6 6 THR C C 13 173.471 0.3 . 1 . . . . . 6 THR C . 52562 1 22 . 1 . 1 6 6 THR CA C 13 58.774 0.3 . 1 . . . . . 6 THR CA . 52562 1 23 . 1 . 1 6 6 THR CB C 13 73.209 0.3 . 1 . . . . . 6 THR CB . 52562 1 24 . 1 . 1 6 6 THR CG2 C 13 22.304 0.3 . 1 . . . . . 6 THR CG2 . 52562 1 25 . 1 . 1 6 6 THR N N 15 119.178 0.3 . 1 . . . . . 6 THR N . 52562 1 26 . 1 . 1 7 7 ASP H H 1 8.665 0.020 . 1 . . . . . 7 ASP H . 52562 1 27 . 1 . 1 7 7 ASP HA H 1 4.005 0.020 . 1 . . . . . 7 ASP HA . 52562 1 28 . 1 . 1 7 7 ASP C C 13 178.009 0.3 . 1 . . . . . 7 ASP C . 52562 1 29 . 1 . 1 7 7 ASP CA C 13 57.285 0.3 . 1 . . . . . 7 ASP CA . 52562 1 30 . 1 . 1 7 7 ASP CB C 13 39.356 0.3 . 1 . . . . . 7 ASP CB . 52562 1 31 . 1 . 1 7 7 ASP N N 15 122.870 0.3 . 1 . . . . . 7 ASP N . 52562 1 32 . 1 . 1 8 8 ASP H H 1 7.991 0.020 . 1 . . . . . 8 ASP H . 52562 1 33 . 1 . 1 8 8 ASP HA H 1 4.142 0.020 . 1 . . . . . 8 ASP HA . 52562 1 34 . 1 . 1 8 8 ASP C C 13 178.553 0.3 . 1 . . . . . 8 ASP C . 52562 1 35 . 1 . 1 8 8 ASP CB C 13 40.445 0.3 . 1 . . . . . 8 ASP CB . 52562 1 36 . 1 . 1 8 8 ASP N N 15 116.892 0.3 . 1 . . . . . 8 ASP N . 52562 1 37 . 1 . 1 9 9 ALA H H 1 7.898 0.020 . 1 . . . . . 9 ALA H . 52562 1 38 . 1 . 1 9 9 ALA HA H 1 3.881 0.020 . 1 . . . . . 9 ALA HA . 52562 1 39 . 1 . 1 9 9 ALA C C 13 179.933 0.3 . 1 . . . . . 9 ALA C . 52562 1 40 . 1 . 1 9 9 ALA CA C 13 54.822 0.3 . 1 . . . . . 9 ALA CA . 52562 1 41 . 1 . 1 9 9 ALA CB C 13 18.793 0.3 . 1 . . . . . 9 ALA CB . 52562 1 42 . 1 . 1 9 9 ALA N N 15 124.733 0.3 . 1 . . . . . 9 ALA N . 52562 1 43 . 1 . 1 10 10 VAL H H 1 7.497 0.020 . 1 . . . . . 10 VAL H . 52562 1 44 . 1 . 1 10 10 VAL HA H 1 3.372 0.020 . 1 . . . . . 10 VAL HA . 52562 1 45 . 1 . 1 10 10 VAL HB H 1 2.211 0.020 . 1 . . . . . 10 VAL HB . 52562 1 46 . 1 . 1 10 10 VAL HG11 H 1 0.933 0.020 . 2 . . . . . 10 VAL HG1 . 52562 1 47 . 1 . 1 10 10 VAL HG12 H 1 0.933 0.020 . 2 . . . . . 10 VAL HG1 . 52562 1 48 . 1 . 1 10 10 VAL HG13 H 1 0.933 0.020 . 2 . . . . . 10 VAL HG1 . 52562 1 49 . 1 . 1 10 10 VAL HG21 H 1 0.930 0.020 . 2 . . . . . 10 VAL HG2 . 52562 1 50 . 1 . 1 10 10 VAL HG22 H 1 0.930 0.020 . 2 . . . . . 10 VAL HG2 . 52562 1 51 . 1 . 1 10 10 VAL HG23 H 1 0.930 0.020 . 2 . . . . . 10 VAL HG2 . 52562 1 52 . 1 . 1 10 10 VAL C C 13 178.459 0.3 . 1 . . . . . 10 VAL C . 52562 1 53 . 1 . 1 10 10 VAL CA C 13 66.507 0.3 . 1 . . . . . 10 VAL CA . 52562 1 54 . 1 . 1 10 10 VAL CB C 13 31.566 0.3 . 1 . . . . . 10 VAL CB . 52562 1 55 . 1 . 1 10 10 VAL CG1 C 13 22.036 0.3 . 1 . . . . . 10 VAL CG1 . 52562 1 56 . 1 . 1 10 10 VAL CG2 C 13 21.578 0.3 . 1 . . . . . 10 VAL CG2 . 52562 1 57 . 1 . 1 10 10 VAL N N 15 118.193 0.3 . 1 . . . . . 10 VAL N . 52562 1 58 . 1 . 1 11 11 LEU H H 1 8.308 0.020 . 1 . . . . . 11 LEU H . 52562 1 59 . 1 . 1 11 11 LEU HA H 1 3.750 0.020 . 1 . . . . . 11 LEU HA . 52562 1 60 . 1 . 1 11 11 LEU HD11 H 1 0.741 0.020 . 2 . . . . . 11 LEU HD1 . 52562 1 61 . 1 . 1 11 11 LEU HD12 H 1 0.741 0.020 . 2 . . . . . 11 LEU HD1 . 52562 1 62 . 1 . 1 11 11 LEU HD13 H 1 0.741 0.020 . 2 . . . . . 11 LEU HD1 . 52562 1 63 . 1 . 1 11 11 LEU HD21 H 1 0.790 0.020 . 2 . . . . . 11 LEU HD2 . 52562 1 64 . 1 . 1 11 11 LEU HD22 H 1 0.790 0.020 . 2 . . . . . 11 LEU HD2 . 52562 1 65 . 1 . 1 11 11 LEU HD23 H 1 0.790 0.020 . 2 . . . . . 11 LEU HD2 . 52562 1 66 . 1 . 1 11 11 LEU C C 13 180.216 0.3 . 1 . . . . . 11 LEU C . 52562 1 67 . 1 . 1 11 11 LEU CA C 13 58.373 0.3 . 1 . . . . . 11 LEU CA . 52562 1 68 . 1 . 1 11 11 LEU CB C 13 40.445 0.3 . 1 . . . . . 11 LEU CB . 52562 1 69 . 1 . 1 11 11 LEU CG C 13 26.869 0.3 . 1 . . . . . 11 LEU CG . 52562 1 70 . 1 . 1 11 11 LEU CD1 C 13 22.663 0.3 . 1 . . . . . 11 LEU CD1 . 52562 1 71 . 1 . 1 11 11 LEU CD2 C 13 24.791 0.3 . 1 . . . . . 11 LEU CD2 . 52562 1 72 . 1 . 1 11 11 LEU N N 15 119.140 0.3 . 1 . . . . . 11 LEU N . 52562 1 73 . 1 . 1 12 12 SER H H 1 8.322 0.020 . 1 . . . . . 12 SER H . 52562 1 74 . 1 . 1 12 12 SER HA H 1 4.053 0.020 . 1 . . . . . 12 SER HA . 52562 1 75 . 1 . 1 12 12 SER C C 13 177.654 0.3 . 1 . . . . . 12 SER C . 52562 1 76 . 1 . 1 12 12 SER CA C 13 61.581 0.3 . 1 . . . . . 12 SER CA . 52562 1 77 . 1 . 1 12 12 SER CB C 13 62.097 0.3 . 1 . . . . . 12 SER CB . 52562 1 78 . 1 . 1 12 12 SER N N 15 117.701 0.3 . 1 . . . . . 12 SER N . 52562 1 79 . 1 . 1 13 13 LYS H H 1 7.597 0.020 . 1 . . . . . 13 LYS H . 52562 1 80 . 1 . 1 13 13 LYS HA H 1 3.819 0.020 . 1 . . . . . 13 LYS HA . 52562 1 81 . 1 . 1 13 13 LYS C C 13 180.404 0.3 . 1 . . . . . 13 LYS C . 52562 1 82 . 1 . 1 13 13 LYS CA C 13 59.003 0.3 . 1 . . . . . 13 LYS CA . 52562 1 83 . 1 . 1 13 13 LYS CB C 13 31.566 0.3 . 1 . . . . . 13 LYS CB . 52562 1 84 . 1 . 1 13 13 LYS CG C 13 24.710 0.3 . 1 . . . . . 13 LYS CG . 52562 1 85 . 1 . 1 13 13 LYS CD C 13 28.320 0.3 . 1 . . . . . 13 LYS CD . 52562 1 86 . 1 . 1 13 13 LYS CE C 13 40.687 0.3 . 1 . . . . . 13 LYS CE . 52562 1 87 . 1 . 1 13 13 LYS N N 15 123.073 0.3 . 1 . . . . . 13 LYS N . 52562 1 88 . 1 . 1 14 14 LEU H H 1 8.502 0.020 . 1 . . . . . 14 LEU H . 52562 1 89 . 1 . 1 14 14 LEU HA H 1 3.991 0.020 . 1 . . . . . 14 LEU HA . 52562 1 90 . 1 . 1 14 14 LEU HB2 H 1 1.812 0.020 . 1 . . . . . 14 LEU HB2 . 52562 1 91 . 1 . 1 14 14 LEU HB3 H 1 1.812 0.020 . 1 . . . . . 14 LEU HB3 . 52562 1 92 . 1 . 1 14 14 LEU HG H 1 1.290 0.020 . 1 . . . . . 14 LEU HG . 52562 1 93 . 1 . 1 14 14 LEU HD11 H 1 0.802 0.020 . 2 . . . . . 14 LEU HD1 . 52562 1 94 . 1 . 1 14 14 LEU HD12 H 1 0.802 0.020 . 2 . . . . . 14 LEU HD1 . 52562 1 95 . 1 . 1 14 14 LEU HD13 H 1 0.802 0.020 . 2 . . . . . 14 LEU HD1 . 52562 1 96 . 1 . 1 14 14 LEU HD21 H 1 0.842 0.020 . 2 . . . . . 14 LEU HD2 . 52562 1 97 . 1 . 1 14 14 LEU HD22 H 1 0.842 0.020 . 2 . . . . . 14 LEU HD2 . 52562 1 98 . 1 . 1 14 14 LEU HD23 H 1 0.842 0.020 . 2 . . . . . 14 LEU HD2 . 52562 1 99 . 1 . 1 14 14 LEU C C 13 178.835 0.3 . 1 . . . . . 14 LEU C . 52562 1 100 . 1 . 1 14 14 LEU CA C 13 57.342 0.3 . 1 . . . . . 14 LEU CA . 52562 1 101 . 1 . 1 14 14 LEU CB C 13 40.846 0.3 . 1 . . . . . 14 LEU CB . 52562 1 102 . 1 . 1 14 14 LEU CD1 C 13 26.230 0.3 . 1 . . . . . 14 LEU CD1 . 52562 1 103 . 1 . 1 14 14 LEU CD2 C 13 22.026 0.3 . 1 . . . . . 14 LEU CD2 . 52562 1 104 . 1 . 1 14 14 LEU N N 15 118.264 0.3 . 1 . . . . . 14 LEU N . 52562 1 105 . 1 . 1 15 15 SER H H 1 8.159 0.020 . 1 . . . . . 15 SER H . 52562 1 106 . 1 . 1 15 15 SER HA H 1 4.080 0.020 . 1 . . . . . 15 SER HA . 52562 1 107 . 1 . 1 15 15 SER C C 13 174.548 0.3 . 1 . . . . . 15 SER C . 52562 1 108 . 1 . 1 15 15 SER CA C 13 61.409 0.3 . 1 . . . . . 15 SER CA . 52562 1 109 . 1 . 1 15 15 SER CB C 13 62.784 0.3 . 1 . . . . . 15 SER CB . 52562 1 110 . 1 . 1 15 15 SER N N 15 115.591 0.3 . 1 . . . . . 15 SER N . 52562 1 111 . 1 . 1 16 16 ALA H H 1 7.078 0.020 . 1 . . . . . 16 ALA H . 52562 1 112 . 1 . 1 16 16 ALA HA H 1 4.252 0.020 . 1 . . . . . 16 ALA HA . 52562 1 113 . 1 . 1 16 16 ALA HB1 H 1 1.270 0.020 . 1 . . . . . 16 ALA HB . 52562 1 114 . 1 . 1 16 16 ALA HB2 H 1 1.270 0.020 . 1 . . . . . 16 ALA HB . 52562 1 115 . 1 . 1 16 16 ALA HB3 H 1 1.270 0.020 . 1 . . . . . 16 ALA HB . 52562 1 116 . 1 . 1 16 16 ALA C C 13 176.692 0.3 . 1 . . . . . 16 ALA C . 52562 1 117 . 1 . 1 16 16 ALA CA C 13 51.672 0.3 . 1 . . . . . 16 ALA CA . 52562 1 118 . 1 . 1 16 16 ALA CB C 13 18.965 0.3 . 1 . . . . . 16 ALA CB . 52562 1 119 . 1 . 1 16 16 ALA N N 15 122.132 0.3 . 1 . . . . . 16 ALA N . 52562 1 120 . 1 . 1 17 17 LEU H H 1 6.671 0.020 . 1 . . . . . 17 LEU H . 52562 1 121 . 1 . 1 17 17 LEU HD11 H 1 0.956 0.020 . 2 . . . . . 17 LEU HD1 . 52562 1 122 . 1 . 1 17 17 LEU HD12 H 1 0.956 0.020 . 2 . . . . . 17 LEU HD1 . 52562 1 123 . 1 . 1 17 17 LEU HD13 H 1 0.956 0.020 . 2 . . . . . 17 LEU HD1 . 52562 1 124 . 1 . 1 17 17 LEU HD21 H 1 0.844 0.020 . 2 . . . . . 17 LEU HD2 . 52562 1 125 . 1 . 1 17 17 LEU HD22 H 1 0.844 0.020 . 2 . . . . . 17 LEU HD2 . 52562 1 126 . 1 . 1 17 17 LEU HD23 H 1 0.844 0.020 . 2 . . . . . 17 LEU HD2 . 52562 1 127 . 1 . 1 17 17 LEU C C 13 175.981 0.3 . 1 . . . . . 17 LEU C . 52562 1 128 . 1 . 1 17 17 LEU CA C 13 55.910 0.3 . 1 . . . . . 17 LEU CA . 52562 1 129 . 1 . 1 17 17 LEU CB C 13 43.652 0.3 . 1 . . . . . 17 LEU CB . 52562 1 130 . 1 . 1 17 17 LEU CD1 C 13 25.436 0.3 . 1 . . . . . 17 LEU CD1 . 52562 1 131 . 1 . 1 17 17 LEU CD2 C 13 26.724 0.3 . 1 . . . . . 17 LEU CD2 . 52562 1 132 . 1 . 1 17 17 LEU N N 15 121.921 0.3 . 1 . . . . . 17 LEU N . 52562 1 133 . 1 . 1 18 18 ASN H H 1 8.532 0.020 . 1 . . . . . 18 ASN H . 52562 1 134 . 1 . 1 18 18 ASN C C 13 178.543 0.3 . 1 . . . . . 18 ASN C . 52562 1 135 . 1 . 1 18 18 ASN N N 15 124.335 0.3 . 1 . . . . . 18 ASN N . 52562 1 136 . 1 . 1 24 24 ILE H H 1 7.857 0.020 . 1 . . . . . 24 ILE H . 52562 1 137 . 1 . 1 24 24 ILE HG21 H 1 0.696 0.020 . 1 . . . . . 24 ILE HG2 . 52562 1 138 . 1 . 1 24 24 ILE HG22 H 1 0.696 0.020 . 1 . . . . . 24 ILE HG2 . 52562 1 139 . 1 . 1 24 24 ILE HG23 H 1 0.696 0.020 . 1 . . . . . 24 ILE HG2 . 52562 1 140 . 1 . 1 24 24 ILE HD11 H 1 0.829 0.020 . 1 . . . . . 24 ILE HD1 . 52562 1 141 . 1 . 1 24 24 ILE HD12 H 1 0.829 0.020 . 1 . . . . . 24 ILE HD1 . 52562 1 142 . 1 . 1 24 24 ILE HD13 H 1 0.829 0.020 . 1 . . . . . 24 ILE HD1 . 52562 1 143 . 1 . 1 24 24 ILE C C 13 177.549 0.3 . 1 . . . . . 24 ILE C . 52562 1 144 . 1 . 1 24 24 ILE CB C 13 37.008 0.3 . 1 . . . . . 24 ILE CB . 52562 1 145 . 1 . 1 24 24 ILE CG2 C 13 17.691 0.3 . 1 . . . . . 24 ILE CG2 . 52562 1 146 . 1 . 1 24 24 ILE CD1 C 13 12.878 0.3 . 1 . . . . . 24 ILE CD1 . 52562 1 147 . 1 . 1 24 24 ILE N N 15 123.538 0.3 . 1 . . . . . 24 ILE N . 52562 1 148 . 1 . 1 25 25 ALA H H 1 8.648 0.020 . 1 . . . . . 25 ALA H . 52562 1 149 . 1 . 1 25 25 ALA HA H 1 3.840 0.020 . 1 . . . . . 25 ALA HA . 52562 1 150 . 1 . 1 25 25 ALA HB1 H 1 1.146 0.020 . 1 . . . . . 25 ALA HB . 52562 1 151 . 1 . 1 25 25 ALA HB2 H 1 1.146 0.020 . 1 . . . . . 25 ALA HB . 52562 1 152 . 1 . 1 25 25 ALA HB3 H 1 1.146 0.020 . 1 . . . . . 25 ALA HB . 52562 1 153 . 1 . 1 25 25 ALA C C 13 181.355 0.3 . 1 . . . . . 25 ALA C . 52562 1 154 . 1 . 1 25 25 ALA CA C 13 55.681 0.3 . 1 . . . . . 25 ALA CA . 52562 1 155 . 1 . 1 25 25 ALA CB C 13 17.933 0.3 . 1 . . . . . 25 ALA CB . 52562 1 156 . 1 . 1 25 25 ALA N N 15 121.463 0.3 . 1 . . . . . 25 ALA N . 52562 1 157 . 1 . 1 26 26 THR H H 1 8.252 0.020 . 1 . . . . . 26 THR H . 52562 1 158 . 1 . 1 26 26 THR HA H 1 3.970 0.020 . 1 . . . . . 26 THR HA . 52562 1 159 . 1 . 1 26 26 THR HG21 H 1 1.252 0.020 . 1 . . . . . 26 THR HG2 . 52562 1 160 . 1 . 1 26 26 THR HG22 H 1 1.252 0.020 . 1 . . . . . 26 THR HG2 . 52562 1 161 . 1 . 1 26 26 THR HG23 H 1 1.252 0.020 . 1 . . . . . 26 THR HG2 . 52562 1 162 . 1 . 1 26 26 THR C C 13 178.302 0.3 . 1 . . . . . 26 THR C . 52562 1 163 . 1 . 1 26 26 THR CA C 13 65.820 0.3 . 1 . . . . . 26 THR CA . 52562 1 164 . 1 . 1 26 26 THR CB C 13 68.741 0.3 . 1 . . . . . 26 THR CB . 52562 1 165 . 1 . 1 26 26 THR CG2 C 13 21.702 0.3 . 1 . . . . . 26 THR CG2 . 52562 1 166 . 1 . 1 26 26 THR N N 15 113.060 0.3 . 1 . . . . . 26 THR N . 52562 1 167 . 1 . 1 27 27 THR H H 1 7.956 0.020 . 1 . . . . . 27 THR H . 52562 1 168 . 1 . 1 27 27 THR C C 13 176.085 0.3 . 1 . . . . . 27 THR C . 52562 1 169 . 1 . 1 27 27 THR N N 15 122.413 0.3 . 1 . . . . . 27 THR N . 52562 1 170 . 1 . 1 29 29 GLN H H 1 7.910 0.020 . 1 . . . . . 29 GLN H . 52562 1 171 . 1 . 1 29 29 GLN HA H 1 3.874 0.020 . 1 . . . . . 29 GLN HA . 52562 1 172 . 1 . 1 29 29 GLN HB2 H 1 2.156 0.020 . 1 . . . . . 29 GLN HB2 . 52562 1 173 . 1 . 1 29 29 GLN HB3 H 1 2.156 0.020 . 1 . . . . . 29 GLN HB3 . 52562 1 174 . 1 . 1 29 29 GLN HG2 H 1 2.376 0.020 . 1 . . . . . 29 GLN HG2 . 52562 1 175 . 1 . 1 29 29 GLN HG3 H 1 2.376 0.020 . 2 . . . . . 29 GLN HG3 . 52562 1 176 . 1 . 1 29 29 GLN C C 13 178.260 0.3 . 1 . . . . . 29 GLN C . 52562 1 177 . 1 . 1 29 29 GLN CA C 13 59.175 0.3 . 1 . . . . . 29 GLN CA . 52562 1 178 . 1 . 1 29 29 GLN CB C 13 27.843 0.3 . 1 . . . . . 29 GLN CB . 52562 1 179 . 1 . 1 29 29 GLN N N 15 117.736 0.3 . 1 . . . . . 29 GLN N . 52562 1 180 . 1 . 1 30 30 TRP H H 1 7.623 0.020 . 1 . . . . . 30 TRP H . 52562 1 181 . 1 . 1 30 30 TRP HA H 1 4.149 0.020 . 1 . . . . . 30 TRP HA . 52562 1 182 . 1 . 1 30 30 TRP C C 13 177.623 0.3 . 1 . . . . . 30 TRP C . 52562 1 183 . 1 . 1 30 30 TRP CA C 13 62.440 0.3 . 1 . . . . . 30 TRP CA . 52562 1 184 . 1 . 1 30 30 TRP CB C 13 28.473 0.3 . 1 . . . . . 30 TRP CB . 52562 1 185 . 1 . 1 30 30 TRP N N 15 123.077 0.3 . 1 . . . . . 30 TRP N . 52562 1 186 . 1 . 1 31 31 ILE H H 1 8.282 0.020 . 1 . . . . . 31 ILE H . 52562 1 187 . 1 . 1 31 31 ILE HG21 H 1 0.706 0.020 . 1 . . . . . 31 ILE HG2 . 52562 1 188 . 1 . 1 31 31 ILE HG22 H 1 0.706 0.020 . 1 . . . . . 31 ILE HG2 . 52562 1 189 . 1 . 1 31 31 ILE HG23 H 1 0.706 0.020 . 1 . . . . . 31 ILE HG2 . 52562 1 190 . 1 . 1 31 31 ILE HD11 H 1 0.872 0.020 . 1 . . . . . 31 ILE HD1 . 52562 1 191 . 1 . 1 31 31 ILE HD12 H 1 0.872 0.020 . 1 . . . . . 31 ILE HD1 . 52562 1 192 . 1 . 1 31 31 ILE HD13 H 1 0.872 0.020 . 1 . . . . . 31 ILE HD1 . 52562 1 193 . 1 . 1 31 31 ILE C C 13 179.118 0.3 . 1 . . . . . 31 ILE C . 52562 1 194 . 1 . 1 31 31 ILE CA C 13 65.820 0.3 . 1 . . . . . 31 ILE CA . 52562 1 195 . 1 . 1 31 31 ILE CB C 13 37.523 0.3 . 1 . . . . . 31 ILE CB . 52562 1 196 . 1 . 1 31 31 ILE CG2 C 13 18.560 0.3 . 1 . . . . . 31 ILE CG2 . 52562 1 197 . 1 . 1 31 31 ILE CD1 C 13 13.476 0.3 . 1 . . . . . 31 ILE CD1 . 52562 1 198 . 1 . 1 31 31 ILE N N 15 118.053 0.3 . 1 . . . . . 31 ILE N . 52562 1 199 . 1 . 1 32 32 MET H H 1 8.319 0.020 . 1 . . . . . 32 MET H . 52562 1 200 . 1 . 1 32 32 MET HB2 H 1 1.964 0.020 . 1 . . . . . 32 MET HB2 . 52562 1 201 . 1 . 1 32 32 MET HB3 H 1 1.964 0.020 . 1 . . . . . 32 MET HB3 . 52562 1 202 . 1 . 1 32 32 MET HG2 H 1 2.527 0.020 . 1 . . . . . 32 MET HG2 . 52562 1 203 . 1 . 1 32 32 MET HG3 H 1 2.527 0.020 . 1 . . . . . 32 MET HG3 . 52562 1 204 . 1 . 1 32 32 MET HE1 H 1 1.851 0.020 . 1 . . . . . 32 MET HE . 52562 1 205 . 1 . 1 32 32 MET HE2 H 1 1.851 0.020 . 1 . . . . . 32 MET HE . 52562 1 206 . 1 . 1 32 32 MET HE3 H 1 1.851 0.020 . 1 . . . . . 32 MET HE . 52562 1 207 . 1 . 1 32 32 MET C C 13 178.166 0.3 . 1 . . . . . 32 MET C . 52562 1 208 . 1 . 1 32 32 MET CA C 13 58.602 0.3 . 1 . . . . . 32 MET CA . 52562 1 209 . 1 . 1 32 32 MET CB C 13 32.732 0.3 . 1 . . . . . 32 MET CB . 52562 1 210 . 1 . 1 32 32 MET CG C 13 32.732 0.3 . 1 . . . . . 32 MET CG . 52562 1 211 . 1 . 1 32 32 MET CE C 13 15.628 0.3 . 1 . . . . . 32 MET CE . 52562 1 212 . 1 . 1 32 32 MET N N 15 118.136 0.3 . 1 . . . . . 32 MET N . 52562 1 213 . 1 . 1 33 33 PHE H H 1 7.973 0.020 . 1 . . . . . 33 PHE H . 52562 1 214 . 1 . 1 33 33 PHE HA H 1 4.025 0.020 . 1 . . . . . 33 PHE HA . 52562 1 215 . 1 . 1 33 33 PHE C C 13 177.915 0.3 . 1 . . . . . 33 PHE C . 52562 1 216 . 1 . 1 33 33 PHE CA C 13 60.722 0.3 . 1 . . . . . 33 PHE CA . 52562 1 217 . 1 . 1 33 33 PHE CB C 13 38.268 0.3 . 1 . . . . . 33 PHE CB . 52562 1 218 . 1 . 1 33 33 PHE N N 15 123.960 0.3 . 1 . . . . . 33 PHE N . 52562 1 219 . 1 . 1 34 34 HIS H H 1 6.852 0.020 . 1 . . . . . 34 HIS H . 52562 1 220 . 1 . 1 34 34 HIS HA H 1 4.719 0.020 . 1 . . . . . 34 HIS HA . 52562 1 221 . 1 . 1 34 34 HIS C C 13 178.219 0.3 . 1 . . . . . 34 HIS C . 52562 1 222 . 1 . 1 34 34 HIS CA C 13 55.108 0.3 . 1 . . . . . 34 HIS CA . 52562 1 223 . 1 . 1 34 34 HIS CB C 13 30.134 0.3 . 1 . . . . . 34 HIS CB . 52562 1 224 . 1 . 1 34 34 HIS N N 15 119.178 0.3 . 1 . . . . . 34 HIS N . 52562 1 225 . 1 . 1 35 35 ARG H H 1 7.113 0.020 . 1 . . . . . 35 ARG H . 52562 1 226 . 1 . 1 35 35 ARG C C 13 176.734 0.3 . 1 . . . . . 35 ARG C . 52562 1 227 . 1 . 1 35 35 ARG CA C 13 59.347 0.3 . 1 . . . . . 35 ARG CA . 52562 1 228 . 1 . 1 35 35 ARG CB C 13 29.447 0.3 . 1 . . . . . 35 ARG CB . 52562 1 229 . 1 . 1 35 35 ARG N N 15 123.819 0.3 . 1 . . . . . 35 ARG N . 52562 1 230 . 1 . 1 37 37 HIS H H 1 7.293 0.020 . 1 . . . . . 37 HIS H . 52562 1 231 . 1 . 1 37 37 HIS C C 13 174.914 0.3 . 1 . . . . . 37 HIS C . 52562 1 232 . 1 . 1 37 37 HIS CA C 13 54.135 0.3 . 1 . . . . . 37 HIS CA . 52562 1 233 . 1 . 1 37 37 HIS CB C 13 29.733 0.3 . 1 . . . . . 37 HIS CB . 52562 1 234 . 1 . 1 37 37 HIS N N 15 118.088 0.3 . 1 . . . . . 37 HIS N . 52562 1 235 . 1 . 1 38 38 ALA H H 1 6.980 0.020 . 1 . . . . . 38 ALA H . 52562 1 236 . 1 . 1 38 38 ALA HA H 1 3.606 0.020 . 1 . . . . . 38 ALA HA . 52562 1 237 . 1 . 1 38 38 ALA HB1 H 1 0.390 0.020 . 1 . . . . . 38 ALA HB . 52562 1 238 . 1 . 1 38 38 ALA HB2 H 1 0.390 0.020 . 1 . . . . . 38 ALA HB . 52562 1 239 . 1 . 1 38 38 ALA HB3 H 1 0.390 0.020 . 1 . . . . . 38 ALA HB . 52562 1 240 . 1 . 1 38 38 ALA C C 13 178.104 0.3 . 1 . . . . . 38 ALA C . 52562 1 241 . 1 . 1 38 38 ALA CA C 13 56.540 0.3 . 1 . . . . . 38 ALA CA . 52562 1 242 . 1 . 1 38 38 ALA CB C 13 17.647 0.3 . 1 . . . . . 38 ALA CB . 52562 1 243 . 1 . 1 38 38 ALA N N 15 122.553 0.3 . 1 . . . . . 38 ALA N . 52562 1 244 . 1 . 1 39 39 SER H H 1 8.421 0.020 . 1 . . . . . 39 SER H . 52562 1 245 . 1 . 1 39 39 SER HB2 H 1 3.792 0.020 . 1 . . . . . 39 SER HB2 . 52562 1 246 . 1 . 1 39 39 SER HB3 H 1 3.792 0.020 . 1 . . . . . 39 SER HB3 . 52562 1 247 . 1 . 1 39 39 SER C C 13 176.650 0.3 . 1 . . . . . 39 SER C . 52562 1 248 . 1 . 1 39 39 SER CA C 13 62.211 0.3 . 1 . . . . . 39 SER CA . 52562 1 249 . 1 . 1 39 39 SER CB C 13 62.613 0.3 . 1 . . . . . 39 SER CB . 52562 1 250 . 1 . 1 39 39 SER N N 15 111.091 0.3 . 1 . . . . . 39 SER N . 52562 1 251 . 1 . 1 40 40 GLN H H 1 7.689 0.020 . 1 . . . . . 40 GLN H . 52562 1 252 . 1 . 1 40 40 GLN HA H 1 4.431 0.020 . 1 . . . . . 40 GLN HA . 52562 1 253 . 1 . 1 40 40 GLN HB2 H 1 2.541 0.020 . 1 . . . . . 40 GLN HB2 . 52562 1 254 . 1 . 1 40 40 GLN HB3 H 1 2.541 0.020 . 1 . . . . . 40 GLN HB3 . 52562 1 255 . 1 . 1 40 40 GLN HG2 H 1 2.720 0.020 . 1 . . . . . 40 GLN HG2 . 52562 1 256 . 1 . 1 40 40 GLN HG3 H 1 2.720 0.020 . 1 . . . . . 40 GLN HG3 . 52562 1 257 . 1 . 1 40 40 GLN C C 13 178.323 0.3 . 1 . . . . . 40 GLN C . 52562 1 258 . 1 . 1 40 40 GLN CA C 13 58.373 0.3 . 1 . . . . . 40 GLN CA . 52562 1 259 . 1 . 1 40 40 GLN CB C 13 26.697 0.3 . 1 . . . . . 40 GLN CB . 52562 1 260 . 1 . 1 40 40 GLN CG C 13 31.796 0.3 . 1 . . . . . 40 GLN CG . 52562 1 261 . 1 . 1 40 40 GLN N N 15 126.949 0.3 . 1 . . . . . 40 GLN N . 52562 1 262 . 1 . 1 41 41 THR H H 1 8.723 0.020 . 1 . . . . . 41 THR H . 52562 1 263 . 1 . 1 41 41 THR HG21 H 1 1.256 0.020 . 1 . . . . . 41 THR HG2 . 52562 1 264 . 1 . 1 41 41 THR HG22 H 1 1.256 0.020 . 1 . . . . . 41 THR HG2 . 52562 1 265 . 1 . 1 41 41 THR HG23 H 1 1.256 0.020 . 1 . . . . . 41 THR HG2 . 52562 1 266 . 1 . 1 41 41 THR C C 13 175.730 0.3 . 1 . . . . . 41 THR C . 52562 1 267 . 1 . 1 41 41 THR CA C 13 66.851 0.3 . 1 . . . . . 41 THR CA . 52562 1 268 . 1 . 1 41 41 THR CB C 13 67.653 0.3 . 1 . . . . . 41 THR CB . 52562 1 269 . 1 . 1 41 41 THR CG2 C 13 22.802 0.3 . 1 . . . . . 41 THR CG2 . 52562 1 270 . 1 . 1 41 41 THR N N 15 118.791 0.3 . 1 . . . . . 41 THR N . 52562 1 271 . 1 . 1 42 42 VAL H H 1 8.159 0.020 . 1 . . . . . 42 VAL H . 52562 1 272 . 1 . 1 42 42 VAL HA H 1 3.207 0.020 . 1 . . . . . 42 VAL HA . 52562 1 273 . 1 . 1 42 42 VAL HB H 1 1.744 0.020 . 1 . . . . . 42 VAL HB . 52562 1 274 . 1 . 1 42 42 VAL HG11 H 1 0.610 0.020 . 2 . . . . . 42 VAL HG1 . 52562 1 275 . 1 . 1 42 42 VAL HG12 H 1 0.610 0.020 . 2 . . . . . 42 VAL HG1 . 52562 1 276 . 1 . 1 42 42 VAL HG13 H 1 0.610 0.020 . 2 . . . . . 42 VAL HG1 . 52562 1 277 . 1 . 1 42 42 VAL HG21 H 1 -0.180 0.020 . 2 . . . . . 42 VAL HG2 . 52562 1 278 . 1 . 1 42 42 VAL HG22 H 1 -0.180 0.020 . 2 . . . . . 42 VAL HG2 . 52562 1 279 . 1 . 1 42 42 VAL HG23 H 1 -0.180 0.020 . 2 . . . . . 42 VAL HG2 . 52562 1 280 . 1 . 1 42 42 VAL C C 13 176.504 0.3 . 1 . . . . . 42 VAL C . 52562 1 281 . 1 . 1 42 42 VAL CA C 13 67.767 0.3 . 1 . . . . . 42 VAL CA . 52562 1 282 . 1 . 1 42 42 VAL CB C 13 30.306 0.3 . 1 . . . . . 42 VAL CB . 52562 1 283 . 1 . 1 42 42 VAL CG1 C 13 20.391 0.3 . 1 . . . . . 42 VAL CG1 . 52562 1 284 . 1 . 1 42 42 VAL CG2 C 13 21.503 0.3 . 1 . . . . . 42 VAL CG2 . 52562 1 285 . 1 . 1 42 42 VAL N N 15 121.604 0.3 . 1 . . . . . 42 VAL N . 52562 1 286 . 1 . 1 43 43 HIS H H 1 7.712 0.020 . 1 . . . . . 43 HIS H . 52562 1 287 . 1 . 1 43 43 HIS HA H 1 4.190 0.020 . 1 . . . . . 43 HIS HA . 52562 1 288 . 1 . 1 43 43 HIS C C 13 178.564 0.3 . 1 . . . . . 43 HIS C . 52562 1 289 . 1 . 1 43 43 HIS CA C 13 59.977 0.3 . 1 . . . . . 43 HIS CA . 52562 1 290 . 1 . 1 43 43 HIS CB C 13 29.504 0.3 . 1 . . . . . 43 HIS CB . 52562 1 291 . 1 . 1 43 43 HIS N N 15 120.268 0.3 . 1 . . . . . 43 HIS N . 52562 1 292 . 1 . 1 44 44 LEU H H 1 8.275 0.020 . 1 . . . . . 44 LEU H . 52562 1 293 . 1 . 1 44 44 LEU HA H 1 3.785 0.020 . 1 . . . . . 44 LEU HA . 52562 1 294 . 1 . 1 44 44 LEU HB2 H 1 1.957 0.020 . 1 . . . . . 44 LEU HB2 . 52562 1 295 . 1 . 1 44 44 LEU HB3 H 1 1.957 0.020 . 1 . . . . . 44 LEU HB3 . 52562 1 296 . 1 . 1 44 44 LEU HD11 H 1 0.788 0.020 . 2 . . . . . 44 LEU HD1 . 52562 1 297 . 1 . 1 44 44 LEU HD12 H 1 0.788 0.020 . 2 . . . . . 44 LEU HD1 . 52562 1 298 . 1 . 1 44 44 LEU HD13 H 1 0.788 0.020 . 2 . . . . . 44 LEU HD1 . 52562 1 299 . 1 . 1 44 44 LEU HD21 H 1 0.996 0.020 . 2 . . . . . 44 LEU HD2 . 52562 1 300 . 1 . 1 44 44 LEU HD22 H 1 0.996 0.020 . 2 . . . . . 44 LEU HD2 . 52562 1 301 . 1 . 1 44 44 LEU HD23 H 1 0.996 0.020 . 2 . . . . . 44 LEU HD2 . 52562 1 302 . 1 . 1 44 44 LEU C C 13 178.187 0.3 . 1 . . . . . 44 LEU C . 52562 1 303 . 1 . 1 44 44 LEU CA C 13 58.087 0.3 . 1 . . . . . 44 LEU CA . 52562 1 304 . 1 . 1 44 44 LEU CB C 13 42.049 0.3 . 1 . . . . . 44 LEU CB . 52562 1 305 . 1 . 1 44 44 LEU CD1 C 13 21.635 0.3 . 1 . . . . . 44 LEU CD1 . 52562 1 306 . 1 . 1 44 44 LEU CD2 C 13 26.248 0.3 . 1 . . . . . 44 LEU CD2 . 52562 1 307 . 1 . 1 44 44 LEU N N 15 122.438 0.3 . 1 . . . . . 44 LEU N . 52562 1 308 . 1 . 1 45 45 TRP H H 1 8.799 0.020 . 1 . . . . . 45 TRP H . 52562 1 309 . 1 . 1 45 45 TRP HA H 1 3.864 0.020 . 1 . . . . . 45 TRP HA . 52562 1 310 . 1 . 1 45 45 TRP C C 13 176.410 0.3 . 1 . . . . . 45 TRP C . 52562 1 311 . 1 . 1 45 45 TRP CA C 13 61.404 0.3 . 1 . . . . . 45 TRP CA . 52562 1 312 . 1 . 1 45 45 TRP CB C 13 29.160 0.3 . 1 . . . . . 45 TRP CB . 52562 1 313 . 1 . 1 45 45 TRP N N 15 122.382 0.3 . 1 . . . . . 45 TRP N . 52562 1 314 . 1 . 1 46 46 LEU H H 1 8.903 0.020 . 1 . . . . . 46 LEU H . 52562 1 315 . 1 . 1 46 46 LEU HA H 1 3.489 0.020 . 1 . . . . . 46 LEU HA . 52562 1 316 . 1 . 1 46 46 LEU HB2 H 1 1.656 0.020 . 1 . . . . . 46 LEU HB2 . 52562 1 317 . 1 . 1 46 46 LEU HB3 H 1 1.656 0.020 . 1 . . . . . 46 LEU HB3 . 52562 1 318 . 1 . 1 46 46 LEU HD11 H 1 0.658 0.020 . 2 . . . . . 46 LEU HD1 . 52562 1 319 . 1 . 1 46 46 LEU HD12 H 1 0.658 0.020 . 2 . . . . . 46 LEU HD1 . 52562 1 320 . 1 . 1 46 46 LEU HD13 H 1 0.658 0.020 . 2 . . . . . 46 LEU HD1 . 52562 1 321 . 1 . 1 46 46 LEU HD21 H 1 0.834 0.020 . 1 . . . . . 46 LEU HD2 . 52562 1 322 . 1 . 1 46 46 LEU HD22 H 1 0.834 0.020 . 1 . . . . . 46 LEU HD2 . 52562 1 323 . 1 . 1 46 46 LEU HD23 H 1 0.834 0.020 . 1 . . . . . 46 LEU HD2 . 52562 1 324 . 1 . 1 46 46 LEU C C 13 179.024 0.3 . 1 . . . . . 46 LEU C . 52562 1 325 . 1 . 1 46 46 LEU CA C 13 57.686 0.3 . 1 . . . . . 46 LEU CA . 52562 1 326 . 1 . 1 46 46 LEU CB C 13 42.507 0.3 . 1 . . . . . 46 LEU CB . 52562 1 327 . 1 . 1 46 46 LEU CG C 13 26.515 0.3 . 1 . . . . . 46 LEU CG . 52562 1 328 . 1 . 1 46 46 LEU CD1 C 13 24.601 0.3 . 1 . . . . . 46 LEU CD1 . 52562 1 329 . 1 . 1 46 46 LEU CD2 C 13 25.245 0.3 . 1 . . . . . 46 LEU CD2 . 52562 1 330 . 1 . 1 46 46 LEU N N 15 120.936 0.3 . 1 . . . . . 46 LEU N . 52562 1 331 . 1 . 1 47 47 THR H H 1 7.642 0.020 . 1 . . . . . 47 THR H . 52562 1 332 . 1 . 1 47 47 THR HA H 1 3.592 0.020 . 1 . . . . . 47 THR HA . 52562 1 333 . 1 . 1 47 47 THR HG21 H 1 1.015 0.020 . 1 . . . . . 47 THR HG2 . 52562 1 334 . 1 . 1 47 47 THR HG22 H 1 1.015 0.020 . 1 . . . . . 47 THR HG2 . 52562 1 335 . 1 . 1 47 47 THR HG23 H 1 1.015 0.020 . 1 . . . . . 47 THR HG2 . 52562 1 336 . 1 . 1 47 47 THR C C 13 176.378 0.3 . 1 . . . . . 47 THR C . 52562 1 337 . 1 . 1 47 47 THR CA C 13 66.106 0.3 . 1 . . . . . 47 THR CA . 52562 1 338 . 1 . 1 47 47 THR CB C 13 68.741 0.3 . 1 . . . . . 47 THR CB . 52562 1 339 . 1 . 1 47 47 THR CG2 C 13 20.797 0.3 . 1 . . . . . 47 THR CG2 . 52562 1 340 . 1 . 1 47 47 THR N N 15 114.642 0.3 . 1 . . . . . 47 THR N . 52562 1 341 . 1 . 1 48 48 LYS H H 1 7.776 0.020 . 1 . . . . . 48 LYS H . 52562 1 342 . 1 . 1 48 48 LYS HA H 1 3.998 0.020 . 1 . . . . . 48 LYS HA . 52562 1 343 . 1 . 1 48 48 LYS HB2 H 1 1.654 0.020 . 1 . . . . . 48 LYS HB2 . 52562 1 344 . 1 . 1 48 48 LYS HB3 H 1 1.654 0.020 . 1 . . . . . 48 LYS HB3 . 52562 1 345 . 1 . 1 48 48 LYS HG2 H 1 1.194 0.020 . 1 . . . . . 48 LYS HG2 . 52562 1 346 . 1 . 1 48 48 LYS HD2 H 1 1.544 0.020 . 1 . . . . . 48 LYS HD2 . 52562 1 347 . 1 . 1 48 48 LYS HD3 H 1 1.544 0.020 . 1 . . . . . 48 LYS HD3 . 52562 1 348 . 1 . 1 48 48 LYS HE2 H 1 2.644 0.020 . 1 . . . . . 48 LYS HE2 . 52562 1 349 . 1 . 1 48 48 LYS HE3 H 1 2.644 0.020 . 1 . . . . . 48 LYS HE3 . 52562 1 350 . 1 . 1 48 48 LYS CA C 13 56.540 0.3 . 1 . . . . . 48 LYS CA . 52562 1 351 . 1 . 1 48 48 LYS CB C 13 31.108 0.3 . 1 . . . . . 48 LYS CB . 52562 1 352 . 1 . 1 48 48 LYS CG C 13 23.774 0.3 . 1 . . . . . 48 LYS CG . 52562 1 353 . 1 . 1 48 48 LYS CD C 13 27.585 0.3 . 1 . . . . . 48 LYS CD . 52562 1 354 . 1 . 1 48 48 LYS CE C 13 41.288 0.3 . 1 . . . . . 48 LYS CE . 52562 1 355 . 1 . 1 48 48 LYS N N 15 122.031 0.3 . 1 . . . . . 48 LYS N . 52562 1 356 . 1 . 1 49 49 LEU H H 1 7.677 0.020 . 1 . . . . . 49 LEU H . 52562 1 357 . 1 . 1 49 49 LEU HA H 1 3.352 0.020 . 1 . . . . . 49 LEU HA . 52562 1 358 . 1 . 1 49 49 LEU HG H 1 1.414 0.020 . 1 . . . . . 49 LEU HG . 52562 1 359 . 1 . 1 49 49 LEU HD11 H 1 0.259 0.020 . 2 . . . . . 49 LEU HD1 . 52562 1 360 . 1 . 1 49 49 LEU HD12 H 1 0.259 0.020 . 2 . . . . . 49 LEU HD1 . 52562 1 361 . 1 . 1 49 49 LEU HD13 H 1 0.259 0.020 . 2 . . . . . 49 LEU HD1 . 52562 1 362 . 1 . 1 49 49 LEU HD21 H 1 0.424 0.020 . 2 . . . . . 49 LEU HD2 . 52562 1 363 . 1 . 1 49 49 LEU HD22 H 1 0.424 0.020 . 2 . . . . . 49 LEU HD2 . 52562 1 364 . 1 . 1 49 49 LEU HD23 H 1 0.424 0.020 . 2 . . . . . 49 LEU HD2 . 52562 1 365 . 1 . 1 49 49 LEU C C 13 178.030 0.3 . 1 . . . . . 49 LEU C . 52562 1 366 . 1 . 1 49 49 LEU CA C 13 58.545 0.3 . 1 . . . . . 49 LEU CA . 52562 1 367 . 1 . 1 49 49 LEU CB C 13 42.507 0.3 . 1 . . . . . 49 LEU CB . 52562 1 368 . 1 . 1 49 49 LEU CD1 C 13 24.978 0.3 . 1 . . . . . 49 LEU CD1 . 52562 1 369 . 1 . 1 49 49 LEU CD2 C 13 25.847 0.3 . 1 . . . . . 49 LEU CD2 . 52562 1 370 . 1 . 1 49 49 LEU N N 15 118.826 0.3 . 1 . . . . . 49 LEU N . 52562 1 371 . 1 . 1 50 50 LYS H H 1 6.857 0.020 . 1 . . . . . 50 LYS H . 52562 1 372 . 1 . 1 50 50 LYS HA H 1 3.654 0.020 . 1 . . . . . 50 LYS HA . 52562 1 373 . 1 . 1 50 50 LYS HB2 H 1 1.730 0.020 . 1 . . . . . 50 LYS HB2 . 52562 1 374 . 1 . 1 50 50 LYS HB3 H 1 1.730 0.020 . 1 . . . . . 50 LYS HB3 . 52562 1 375 . 1 . 1 50 50 LYS HG2 H 1 1.297 0.020 . 1 . . . . . 50 LYS HG2 . 52562 1 376 . 1 . 1 50 50 LYS HD2 H 1 1.558 0.020 . 1 . . . . . 50 LYS HD2 . 52562 1 377 . 1 . 1 50 50 LYS HD3 H 1 1.558 0.020 . 1 . . . . . 50 LYS HD3 . 52562 1 378 . 1 . 1 50 50 LYS C C 13 176.953 0.3 . 1 . . . . . 50 LYS C . 52562 1 379 . 1 . 1 50 50 LYS CA C 13 59.290 0.3 . 1 . . . . . 50 LYS CA . 52562 1 380 . 1 . 1 50 50 LYS CB C 13 32.254 0.3 . 1 . . . . . 50 LYS CB . 52562 1 381 . 1 . 1 50 50 LYS CG C 13 24.521 0.3 . 1 . . . . . 50 LYS CG . 52562 1 382 . 1 . 1 50 50 LYS CD C 13 28.989 0.3 . 1 . . . . . 50 LYS CD . 52562 1 383 . 1 . 1 50 50 LYS N N 15 114.044 0.3 . 1 . . . . . 50 LYS N . 52562 1 384 . 1 . 1 51 51 ASP H H 1 7.224 0.020 . 1 . . . . . 51 ASP H . 52562 1 385 . 1 . 1 51 51 ASP HA H 1 4.630 0.020 . 1 . . . . . 51 ASP HA . 52562 1 386 . 1 . 1 51 51 ASP C C 13 175.834 0.3 . 1 . . . . . 51 ASP C . 52562 1 387 . 1 . 1 51 51 ASP CA C 13 54.306 0.3 . 1 . . . . . 51 ASP CA . 52562 1 388 . 1 . 1 51 51 ASP CB C 13 41.705 0.3 . 1 . . . . . 51 ASP CB . 52562 1 389 . 1 . 1 51 51 ASP N N 15 118.193 0.3 . 1 . . . . . 51 ASP N . 52562 1 390 . 1 . 1 52 52 LEU H H 1 6.869 0.020 . 1 . . . . . 52 LEU H . 52562 1 391 . 1 . 1 52 52 LEU HD11 H 1 0.623 0.020 . 2 . . . . . 52 LEU HD1 . 52562 1 392 . 1 . 1 52 52 LEU HD12 H 1 0.623 0.020 . 2 . . . . . 52 LEU HD1 . 52562 1 393 . 1 . 1 52 52 LEU HD13 H 1 0.623 0.020 . 2 . . . . . 52 LEU HD1 . 52562 1 394 . 1 . 1 52 52 LEU HD21 H 1 0.759 0.020 . 2 . . . . . 52 LEU HD2 . 52562 1 395 . 1 . 1 52 52 LEU HD22 H 1 0.759 0.020 . 2 . . . . . 52 LEU HD2 . 52562 1 396 . 1 . 1 52 52 LEU HD23 H 1 0.759 0.020 . 2 . . . . . 52 LEU HD2 . 52562 1 397 . 1 . 1 52 52 LEU C C 13 174.548 0.3 . 1 . . . . . 52 LEU C . 52562 1 398 . 1 . 1 52 52 LEU CA C 13 52.531 0.3 . 1 . . . . . 52 LEU CA . 52562 1 399 . 1 . 1 52 52 LEU CB C 13 43.538 0.3 . 1 . . . . . 52 LEU CB . 52562 1 400 . 1 . 1 52 52 LEU CD1 C 13 27.189 0.3 . 1 . . . . . 52 LEU CD1 . 52562 1 401 . 1 . 1 52 52 LEU CD2 C 13 22.390 0.3 . 1 . . . . . 52 LEU CD2 . 52562 1 402 . 1 . 1 52 52 LEU N N 15 121.006 0.3 . 1 . . . . . 52 LEU N . 52562 1 403 . 1 . 1 56 56 LYS H H 1 6.480 0.020 . 1 . . . . . 56 LYS H . 52562 1 404 . 1 . 1 56 56 LYS HA H 1 4.238 0.020 . 1 . . . . . 56 LYS HA . 52562 1 405 . 1 . 1 56 56 LYS HB2 H 1 1.854 0.020 . 1 . . . . . 56 LYS HB2 . 52562 1 406 . 1 . 1 56 56 LYS HB3 H 1 1.854 0.020 . 1 . . . . . 56 LYS HB3 . 52562 1 407 . 1 . 1 56 56 LYS HG2 H 1 0.844 0.020 . 1 . . . . . 56 LYS HG2 . 52562 1 408 . 1 . 1 56 56 LYS HD2 H 1 1.469 0.020 . 1 . . . . . 56 LYS HD2 . 52562 1 409 . 1 . 1 56 56 LYS C C 13 178.720 0.3 . 1 . . . . . 56 LYS C . 52562 1 410 . 1 . 1 56 56 LYS CA C 13 57.629 0.3 . 1 . . . . . 56 LYS CA . 52562 1 411 . 1 . 1 56 56 LYS CB C 13 33.399 0.3 . 1 . . . . . 56 LYS CB . 52562 1 412 . 1 . 1 56 56 LYS CG C 13 25.445 0.3 . 1 . . . . . 56 LYS CG . 52562 1 413 . 1 . 1 56 56 LYS CD C 13 29.122 0.3 . 1 . . . . . 56 LYS CD . 52562 1 414 . 1 . 1 56 56 LYS N N 15 119.846 0.3 . 1 . . . . . 56 LYS N . 52562 1 415 . 1 . 1 57 57 ARG H H 1 8.020 0.020 . 1 . . . . . 57 ARG H . 52562 1 416 . 1 . 1 57 57 ARG HA H 1 3.551 0.020 . 1 . . . . . 57 ARG HA . 52562 1 417 . 1 . 1 57 57 ARG C C 13 178.114 0.3 . 1 . . . . . 57 ARG C . 52562 1 418 . 1 . 1 57 57 ARG CA C 13 60.378 0.3 . 1 . . . . . 57 ARG CA . 52562 1 419 . 1 . 1 57 57 ARG CB C 13 29.905 0.3 . 1 . . . . . 57 ARG CB . 52562 1 420 . 1 . 1 57 57 ARG N N 15 120.514 0.3 . 1 . . . . . 57 ARG N . 52562 1 421 . 1 . 1 58 58 LEU H H 1 7.549 0.020 . 1 . . . . . 58 LEU H . 52562 1 422 . 1 . 1 58 58 LEU HA H 1 3.640 0.020 . 1 . . . . . 58 LEU HA . 52562 1 423 . 1 . 1 58 58 LEU HB2 H 1 1.799 0.020 . 1 . . . . . 58 LEU HB2 . 52562 1 424 . 1 . 1 58 58 LEU HB3 H 1 1.799 0.020 . 1 . . . . . 58 LEU HB3 . 52562 1 425 . 1 . 1 58 58 LEU HG H 1 1.214 0.020 . 1 . . . . . 58 LEU HG . 52562 1 426 . 1 . 1 58 58 LEU HD11 H 1 0.293 0.020 . 2 . . . . . 58 LEU HD1 . 52562 1 427 . 1 . 1 58 58 LEU HD12 H 1 0.293 0.020 . 2 . . . . . 58 LEU HD1 . 52562 1 428 . 1 . 1 58 58 LEU HD13 H 1 0.293 0.020 . 2 . . . . . 58 LEU HD1 . 52562 1 429 . 1 . 1 58 58 LEU HD21 H 1 0.892 0.020 . 2 . . . . . 58 LEU HD2 . 52562 1 430 . 1 . 1 58 58 LEU HD22 H 1 0.892 0.020 . 2 . . . . . 58 LEU HD2 . 52562 1 431 . 1 . 1 58 58 LEU HD23 H 1 0.892 0.020 . 2 . . . . . 58 LEU HD2 . 52562 1 432 . 1 . 1 58 58 LEU C C 13 177.665 0.3 . 1 . . . . . 58 LEU C . 52562 1 433 . 1 . 1 58 58 LEU CA C 13 58.545 0.3 . 1 . . . . . 58 LEU CA . 52562 1 434 . 1 . 1 58 58 LEU CB C 13 39.986 0.3 . 1 . . . . . 58 LEU CB . 52562 1 435 . 1 . 1 58 58 LEU CG C 13 26.494 0.3 . 1 . . . . . 58 LEU CG . 52562 1 436 . 1 . 1 58 58 LEU CD1 C 13 21.903 0.3 . 1 . . . . . 58 LEU CD1 . 52562 1 437 . 1 . 1 58 58 LEU CD2 C 13 26.849 0.3 . 1 . . . . . 58 LEU CD2 . 52562 1 438 . 1 . 1 58 58 LEU N N 15 119.494 0.3 . 1 . . . . . 58 LEU N . 52562 1 439 . 1 . 1 59 59 ASN H H 1 6.904 0.020 . 1 . . . . . 59 ASN H . 52562 1 440 . 1 . 1 59 59 ASN HA H 1 4.424 0.020 . 1 . . . . . 59 ASN HA . 52562 1 441 . 1 . 1 59 59 ASN C C 13 177.832 0.3 . 1 . . . . . 59 ASN C . 52562 1 442 . 1 . 1 59 59 ASN CA C 13 56.254 0.3 . 1 . . . . . 59 ASN CA . 52562 1 443 . 1 . 1 59 59 ASN CB C 13 37.065 0.3 . 1 . . . . . 59 ASN CB . 52562 1 444 . 1 . 1 59 59 ASN N N 15 116.892 0.3 . 1 . . . . . 59 ASN N . 52562 1 445 . 1 . 1 60 60 MET H H 1 7.357 0.020 . 1 . . . . . 60 MET H . 52562 1 446 . 1 . 1 60 60 MET HA H 1 4.211 0.020 . 1 . . . . . 60 MET HA . 52562 1 447 . 1 . 1 60 60 MET HB2 H 1 1.984 0.020 . 1 . . . . . 60 MET HB2 . 52562 1 448 . 1 . 1 60 60 MET HB3 H 1 1.984 0.020 . 1 . . . . . 60 MET HB3 . 52562 1 449 . 1 . 1 60 60 MET HG2 H 1 2.486 0.020 . 1 . . . . . 60 MET HG2 . 52562 1 450 . 1 . 1 60 60 MET HG3 H 1 2.486 0.020 . 1 . . . . . 60 MET HG3 . 52562 1 451 . 1 . 1 60 60 MET HE1 H 1 1.477 0.020 . 1 . . . . . 60 MET HE . 52562 1 452 . 1 . 1 60 60 MET HE2 H 1 1.477 0.020 . 1 . . . . . 60 MET HE . 52562 1 453 . 1 . 1 60 60 MET HE3 H 1 1.477 0.020 . 1 . . . . . 60 MET HE . 52562 1 454 . 1 . 1 60 60 MET C C 13 180.059 0.3 . 1 . . . . . 60 MET C . 52562 1 455 . 1 . 1 60 60 MET CA C 13 57.915 0.3 . 1 . . . . . 60 MET CA . 52562 1 456 . 1 . 1 60 60 MET CB C 13 31.738 0.3 . 1 . . . . . 60 MET CB . 52562 1 457 . 1 . 1 60 60 MET CG C 13 33.534 0.3 . 1 . . . . . 60 MET CG . 52562 1 458 . 1 . 1 60 60 MET CE C 13 20.469 0.3 . 1 . . . . . 60 MET CE . 52562 1 459 . 1 . 1 60 60 MET N N 15 117.666 0.3 . 1 . . . . . 60 MET N . 52562 1 460 . 1 . 1 61 61 ILE H H 1 7.962 0.020 . 1 . . . . . 61 ILE H . 52562 1 461 . 1 . 1 61 61 ILE HA H 1 4.245 0.020 . 1 . . . . . 61 ILE HA . 52562 1 462 . 1 . 1 61 61 ILE HB H 1 2.273 0.020 . 1 . . . . . 61 ILE HB . 52562 1 463 . 1 . 1 61 61 ILE HG12 H 1 1.003 0.020 . 1 . . . . . 61 ILE HG12 . 52562 1 464 . 1 . 1 61 61 ILE HG13 H 1 1.003 0.020 . 1 . . . . . 61 ILE HG13 . 52562 1 465 . 1 . 1 61 61 ILE HG21 H 1 0.894 0.020 . 1 . . . . . 61 ILE HG2 . 52562 1 466 . 1 . 1 61 61 ILE HG22 H 1 0.894 0.020 . 1 . . . . . 61 ILE HG2 . 52562 1 467 . 1 . 1 61 61 ILE HG23 H 1 0.894 0.020 . 1 . . . . . 61 ILE HG2 . 52562 1 468 . 1 . 1 61 61 ILE HD11 H 1 0.849 0.020 . 1 . . . . . 61 ILE HD1 . 52562 1 469 . 1 . 1 61 61 ILE HD12 H 1 0.849 0.020 . 1 . . . . . 61 ILE HD1 . 52562 1 470 . 1 . 1 61 61 ILE HD13 H 1 0.849 0.020 . 1 . . . . . 61 ILE HD1 . 52562 1 471 . 1 . 1 61 61 ILE C C 13 178.804 0.3 . 1 . . . . . 61 ILE C . 52562 1 472 . 1 . 1 61 61 ILE CA C 13 62.440 0.3 . 1 . . . . . 61 ILE CA . 52562 1 473 . 1 . 1 61 61 ILE CB C 13 34.258 0.3 . 1 . . . . . 61 ILE CB . 52562 1 474 . 1 . 1 61 61 ILE CG2 C 13 17.357 0.3 . 1 . . . . . 61 ILE CG2 . 52562 1 475 . 1 . 1 61 61 ILE CD1 C 13 7.798 0.3 . 1 . . . . . 61 ILE CD1 . 52562 1 476 . 1 . 1 61 61 ILE N N 15 124.874 0.3 . 1 . . . . . 61 ILE N . 52562 1 477 . 1 . 1 62 62 TYR H H 1 8.780 0.020 . 1 . . . . . 62 TYR H . 52562 1 478 . 1 . 1 62 62 TYR HA H 1 3.380 0.020 . 1 . . . . . 62 TYR HA . 52562 1 479 . 1 . 1 62 62 TYR C C 13 179.933 0.3 . 1 . . . . . 62 TYR C . 52562 1 480 . 1 . 1 62 62 TYR CA C 13 58.470 0.3 . 1 . . . . . 62 TYR CA . 52562 1 481 . 1 . 1 62 62 TYR CB C 13 35.977 0.3 . 1 . . . . . 62 TYR CB . 52562 1 482 . 1 . 1 62 62 TYR N N 15 122.510 0.3 . 1 . . . . . 62 TYR N . 52562 1 483 . 1 . 1 63 63 LEU H H 1 8.630 0.020 . 1 . . . . . 63 LEU H . 52562 1 484 . 1 . 1 63 63 LEU HA H 1 4.190 0.020 . 1 . . . . . 63 LEU HA . 52562 1 485 . 1 . 1 63 63 LEU HD11 H 1 1.077 0.020 . 2 . . . . . 63 LEU HD1 . 52562 1 486 . 1 . 1 63 63 LEU HD12 H 1 1.077 0.020 . 2 . . . . . 63 LEU HD1 . 52562 1 487 . 1 . 1 63 63 LEU HD13 H 1 1.077 0.020 . 2 . . . . . 63 LEU HD1 . 52562 1 488 . 1 . 1 63 63 LEU HD21 H 1 0.934 0.020 . 2 . . . . . 63 LEU HD2 . 52562 1 489 . 1 . 1 63 63 LEU HD22 H 1 0.934 0.020 . 2 . . . . . 63 LEU HD2 . 52562 1 490 . 1 . 1 63 63 LEU HD23 H 1 0.934 0.020 . 2 . . . . . 63 LEU HD2 . 52562 1 491 . 1 . 1 63 63 LEU C C 13 177.267 0.3 . 1 . . . . . 63 LEU C . 52562 1 492 . 1 . 1 63 63 LEU CA C 13 58.373 0.3 . 1 . . . . . 63 LEU CA . 52562 1 493 . 1 . 1 63 63 LEU CB C 13 41.533 0.3 . 1 . . . . . 63 LEU CB . 52562 1 494 . 1 . 1 63 63 LEU CD1 C 13 26.582 0.3 . 1 . . . . . 63 LEU CD1 . 52562 1 495 . 1 . 1 63 63 LEU CD2 C 13 23.900 0.3 . 1 . . . . . 63 LEU CD2 . 52562 1 496 . 1 . 1 63 63 LEU N N 15 122.202 0.3 . 1 . . . . . 63 LEU N . 52562 1 497 . 1 . 1 64 64 ALA H H 1 7.780 0.020 . 1 . . . . . 64 ALA H . 52562 1 498 . 1 . 1 64 64 ALA HA H 1 3.269 0.020 . 1 . . . . . 64 ALA HA . 52562 1 499 . 1 . 1 64 64 ALA HB1 H 1 0.699 0.020 . 1 . . . . . 64 ALA HB . 52562 1 500 . 1 . 1 64 64 ALA HB2 H 1 0.699 0.020 . 1 . . . . . 64 ALA HB . 52562 1 501 . 1 . 1 64 64 ALA HB3 H 1 0.699 0.020 . 1 . . . . . 64 ALA HB . 52562 1 502 . 1 . 1 64 64 ALA C C 13 180.101 0.3 . 1 . . . . . 64 ALA C . 52562 1 503 . 1 . 1 64 64 ALA CA C 13 55.395 0.3 . 1 . . . . . 64 ALA CA . 52562 1 504 . 1 . 1 64 64 ALA CB C 13 17.647 0.3 . 1 . . . . . 64 ALA CB . 52562 1 505 . 1 . 1 64 64 ALA N N 15 122.019 0.3 . 1 . . . . . 64 ALA N . 52562 1 506 . 1 . 1 65 65 ASN H H 1 8.944 0.020 . 1 . . . . . 65 ASN H . 52562 1 507 . 1 . 1 65 65 ASN HA H 1 4.410 0.020 . 1 . . . . . 65 ASN HA . 52562 1 508 . 1 . 1 65 65 ASN C C 13 174.799 0.3 . 1 . . . . . 65 ASN C . 52562 1 509 . 1 . 1 65 65 ASN CA C 13 57.514 0.3 . 1 . . . . . 65 ASN CA . 52562 1 510 . 1 . 1 65 65 ASN CB C 13 39.414 0.3 . 1 . . . . . 65 ASN CB . 52562 1 511 . 1 . 1 65 65 ASN N N 15 117.420 0.3 . 1 . . . . . 65 ASN N . 52562 1 512 . 1 . 1 66 66 GLU H H 1 8.229 0.020 . 1 . . . . . 66 GLU H . 52562 1 513 . 1 . 1 66 66 GLU HA H 1 4.121 0.020 . 1 . . . . . 66 GLU HA . 52562 1 514 . 1 . 1 66 66 GLU C C 13 178.365 0.3 . 1 . . . . . 66 GLU C . 52562 1 515 . 1 . 1 66 66 GLU CA C 13 59.118 0.3 . 1 . . . . . 66 GLU CA . 52562 1 516 . 1 . 1 66 66 GLU CB C 13 29.390 0.3 . 1 . . . . . 66 GLU CB . 52562 1 517 . 1 . 1 66 66 GLU CG C 13 34.737 0.3 . 1 . . . . . 66 GLU CG . 52562 1 518 . 1 . 1 66 66 GLU N N 15 120.971 0.3 . 1 . . . . . 66 GLU N . 52562 1 519 . 1 . 1 67 67 VAL H H 1 8.223 0.020 . 1 . . . . . 67 VAL H . 52562 1 520 . 1 . 1 67 67 VAL HA H 1 3.496 0.020 . 1 . . . . . 67 VAL HA . 52562 1 521 . 1 . 1 67 67 VAL HB H 1 1.696 0.020 . 1 . . . . . 67 VAL HB . 52562 1 522 . 1 . 1 67 67 VAL HG11 H 1 0.115 0.020 . 2 . . . . . 67 VAL HG1 . 52562 1 523 . 1 . 1 67 67 VAL HG12 H 1 0.115 0.020 . 2 . . . . . 67 VAL HG1 . 52562 1 524 . 1 . 1 67 67 VAL HG13 H 1 0.115 0.020 . 2 . . . . . 67 VAL HG1 . 52562 1 525 . 1 . 1 67 67 VAL HG21 H 1 0.761 0.020 . 2 . . . . . 67 VAL HG2 . 52562 1 526 . 1 . 1 67 67 VAL HG22 H 1 0.761 0.020 . 2 . . . . . 67 VAL HG2 . 52562 1 527 . 1 . 1 67 67 VAL HG23 H 1 0.761 0.020 . 2 . . . . . 67 VAL HG2 . 52562 1 528 . 1 . 1 67 67 VAL C C 13 178.867 0.3 . 1 . . . . . 67 VAL C . 52562 1 529 . 1 . 1 67 67 VAL CA C 13 65.591 0.3 . 1 . . . . . 67 VAL CA . 52562 1 530 . 1 . 1 67 67 VAL CB C 13 32.024 0.3 . 1 . . . . . 67 VAL CB . 52562 1 531 . 1 . 1 67 67 VAL CG1 C 13 21.435 0.3 . 1 . . . . . 67 VAL CG1 . 52562 1 532 . 1 . 1 67 67 VAL CG2 C 13 23.240 0.3 . 1 . . . . . 67 VAL CG2 . 52562 1 533 . 1 . 1 67 67 VAL N N 15 116.471 0.3 . 1 . . . . . 67 VAL N . 52562 1 534 . 1 . 1 68 68 THR H H 1 8.055 0.020 . 1 . . . . . 68 THR H . 52562 1 535 . 1 . 1 68 68 THR HG21 H 1 0.633 0.020 . 1 . . . . . 68 THR HG2 . 52562 1 536 . 1 . 1 68 68 THR HG22 H 1 0.633 0.020 . 1 . . . . . 68 THR HG2 . 52562 1 537 . 1 . 1 68 68 THR HG23 H 1 0.633 0.020 . 1 . . . . . 68 THR HG2 . 52562 1 538 . 1 . 1 68 68 THR C C 13 176.462 0.3 . 1 . . . . . 68 THR C . 52562 1 539 . 1 . 1 68 68 THR CA C 13 67.538 0.3 . 1 . . . . . 68 THR CA . 52562 1 540 . 1 . 1 68 68 THR CB C 13 68.397 0.3 . 1 . . . . . 68 THR CB . 52562 1 541 . 1 . 1 68 68 THR CG2 C 13 22.115 0.3 . 1 . . . . . 68 THR CG2 . 52562 1 542 . 1 . 1 68 68 THR N N 15 115.732 0.3 . 1 . . . . . 68 THR N . 52562 1 543 . 1 . 1 69 69 GLN H H 1 8.526 0.020 . 1 . . . . . 69 GLN H . 52562 1 544 . 1 . 1 69 69 GLN HA H 1 3.798 0.020 . 1 . . . . . 69 GLN HA . 52562 1 545 . 1 . 1 69 69 GLN C C 13 179.515 0.3 . 1 . . . . . 69 GLN C . 52562 1 546 . 1 . 1 69 69 GLN CA C 13 61.123 0.3 . 1 . . . . . 69 GLN CA . 52562 1 547 . 1 . 1 69 69 GLN CB C 13 28.015 0.3 . 1 . . . . . 69 GLN CB . 52562 1 548 . 1 . 1 69 69 GLN N N 15 121.358 0.3 . 1 . . . . . 69 GLN N . 52562 1 549 . 1 . 1 70 70 GLN H H 1 8.264 0.020 . 1 . . . . . 70 GLN H . 52562 1 550 . 1 . 1 70 70 GLN HA H 1 4.046 0.020 . 1 . . . . . 70 GLN HA . 52562 1 551 . 1 . 1 70 70 GLN C C 13 178.846 0.3 . 1 . . . . . 70 GLN C . 52562 1 552 . 1 . 1 70 70 GLN CA C 13 58.832 0.3 . 1 . . . . . 70 GLN CA . 52562 1 553 . 1 . 1 70 70 GLN CB C 13 27.728 0.3 . 1 . . . . . 70 GLN CB . 52562 1 554 . 1 . 1 70 70 GLN N N 15 118.510 0.3 . 1 . . . . . 70 GLN N . 52562 1 555 . 1 . 1 71 71 SER H H 1 7.690 0.020 . 1 . . . . . 71 SER H . 52562 1 556 . 1 . 1 71 71 SER C C 13 176.200 0.3 . 1 . . . . . 71 SER C . 52562 1 557 . 1 . 1 71 71 SER CA C 13 62.383 0.3 . 1 . . . . . 71 SER CA . 52562 1 558 . 1 . 1 71 71 SER N N 15 115.362 0.3 . 1 . . . . . 71 SER N . 52562 1 559 . 1 . 1 72 72 LYS H H 1 7.968 0.020 . 1 . . . . . 72 LYS H . 52562 1 560 . 1 . 1 72 72 LYS HA H 1 4.059 0.020 . 1 . . . . . 72 LYS HA . 52562 1 561 . 1 . 1 72 72 LYS C C 13 180.163 0.3 . 1 . . . . . 72 LYS C . 52562 1 562 . 1 . 1 72 72 LYS CA C 13 59.003 0.3 . 1 . . . . . 72 LYS CA . 52562 1 563 . 1 . 1 72 72 LYS CB C 13 32.254 0.3 . 1 . . . . . 72 LYS CB . 52562 1 564 . 1 . 1 72 72 LYS N N 15 124.171 0.3 . 1 . . . . . 72 LYS N . 52562 1 565 . 1 . 1 73 73 ALA H H 1 7.689 0.020 . 1 . . . . . 73 ALA H . 52562 1 566 . 1 . 1 73 73 ALA HA H 1 3.998 0.020 . 1 . . . . . 73 ALA HA . 52562 1 567 . 1 . 1 73 73 ALA HB1 H 1 1.421 0.020 . 1 . . . . . 73 ALA HB . 52562 1 568 . 1 . 1 73 73 ALA HB2 H 1 1.421 0.020 . 1 . . . . . 73 ALA HB . 52562 1 569 . 1 . 1 73 73 ALA HB3 H 1 1.421 0.020 . 1 . . . . . 73 ALA HB . 52562 1 570 . 1 . 1 73 73 ALA C C 13 178.407 0.3 . 1 . . . . . 73 ALA C . 52562 1 571 . 1 . 1 73 73 ALA CA C 13 54.192 0.3 . 1 . . . . . 73 ALA CA . 52562 1 572 . 1 . 1 73 73 ALA CB C 13 17.876 0.3 . 1 . . . . . 73 ALA CB . 52562 1 573 . 1 . 1 73 73 ALA N N 15 122.202 0.3 . 1 . . . . . 73 ALA N . 52562 1 574 . 1 . 1 74 74 ARG H H 1 7.154 0.020 . 1 . . . . . 74 ARG H . 52562 1 575 . 1 . 1 74 74 ARG HA H 1 4.197 0.020 . 1 . . . . . 74 ARG HA . 52562 1 576 . 1 . 1 74 74 ARG C C 13 174.904 0.3 . 1 . . . . . 74 ARG C . 52562 1 577 . 1 . 1 74 74 ARG CA C 13 55.051 0.3 . 1 . . . . . 74 ARG CA . 52562 1 578 . 1 . 1 74 74 ARG CB C 13 29.905 0.3 . 1 . . . . . 74 ARG CB . 52562 1 579 . 1 . 1 74 74 ARG N N 15 115.802 0.3 . 1 . . . . . 74 ARG N . 52562 1 580 . 1 . 1 75 75 HIS H H 1 7.711 0.020 . 1 . . . . . 75 HIS H . 52562 1 581 . 1 . 1 75 75 HIS HA H 1 4.183 0.020 . 1 . . . . . 75 HIS HA . 52562 1 582 . 1 . 1 75 75 HIS C C 13 174.527 0.3 . 1 . . . . . 75 HIS C . 52562 1 583 . 1 . 1 75 75 HIS CA C 13 56.712 0.3 . 1 . . . . . 75 HIS CA . 52562 1 584 . 1 . 1 75 75 HIS CB C 13 26.640 0.3 . 1 . . . . . 75 HIS CB . 52562 1 585 . 1 . 1 75 75 HIS N N 15 115.370 0.3 . 1 . . . . . 75 HIS N . 52562 1 586 . 1 . 1 76 76 LYS H H 1 7.840 0.020 . 1 . . . . . 76 LYS H . 52562 1 587 . 1 . 1 76 76 LYS C C 13 177.006 0.3 . 1 . . . . . 76 LYS C . 52562 1 588 . 1 . 1 76 76 LYS CA C 13 53.906 0.3 . 1 . . . . . 76 LYS CA . 52562 1 589 . 1 . 1 76 76 LYS CB C 13 33.686 0.3 . 1 . . . . . 76 LYS CB . 52562 1 590 . 1 . 1 76 76 LYS N N 15 118.053 0.3 . 1 . . . . . 76 LYS N . 52562 1 591 . 1 . 1 78 78 ASP H H 1 8.398 0.020 . 1 . . . . . 78 ASP H . 52562 1 592 . 1 . 1 78 78 ASP HA H 1 3.970 0.020 . 1 . . . . . 78 ASP HA . 52562 1 593 . 1 . 1 78 78 ASP C C 13 179.233 0.3 . 1 . . . . . 78 ASP C . 52562 1 594 . 1 . 1 78 78 ASP CA C 13 56.941 0.3 . 1 . . . . . 78 ASP CA . 52562 1 595 . 1 . 1 78 78 ASP CB C 13 40.101 0.3 . 1 . . . . . 78 ASP CB . 52562 1 596 . 1 . 1 78 78 ASP N N 15 118.897 0.3 . 1 . . . . . 78 ASP N . 52562 1 597 . 1 . 1 79 79 PHE H H 1 8.706 0.020 . 1 . . . . . 79 PHE H . 52562 1 598 . 1 . 1 79 79 PHE C C 13 177.340 0.3 . 1 . . . . . 79 PHE C . 52562 1 599 . 1 . 1 79 79 PHE CA C 13 62.841 0.3 . 1 . . . . . 79 PHE CA . 52562 1 600 . 1 . 1 79 79 PHE CB C 13 38.726 0.3 . 1 . . . . . 79 PHE CB . 52562 1 601 . 1 . 1 79 79 PHE N N 15 116.717 0.3 . 1 . . . . . 79 PHE N . 52562 1 602 . 1 . 1 80 80 LEU H H 1 8.101 0.020 . 1 . . . . . 80 LEU H . 52562 1 603 . 1 . 1 80 80 LEU HA H 1 4.005 0.020 . 1 . . . . . 80 LEU HA . 52562 1 604 . 1 . 1 80 80 LEU HB2 H 1 1.648 0.020 . 1 . . . . . 80 LEU HB2 . 52562 1 605 . 1 . 1 80 80 LEU HB3 H 1 1.648 0.020 . 1 . . . . . 80 LEU HB3 . 52562 1 606 . 1 . 1 80 80 LEU HG H 1 1.475 0.020 . 1 . . . . . 80 LEU HG . 52562 1 607 . 1 . 1 80 80 LEU HD11 H 1 0.696 0.020 . 2 . . . . . 80 LEU HD1 . 52562 1 608 . 1 . 1 80 80 LEU HD12 H 1 0.696 0.020 . 2 . . . . . 80 LEU HD1 . 52562 1 609 . 1 . 1 80 80 LEU HD13 H 1 0.696 0.020 . 2 . . . . . 80 LEU HD1 . 52562 1 610 . 1 . 1 80 80 LEU HD21 H 1 0.727 0.020 . 2 . . . . . 80 LEU HD2 . 52562 1 611 . 1 . 1 80 80 LEU HD22 H 1 0.727 0.020 . 2 . . . . . 80 LEU HD2 . 52562 1 612 . 1 . 1 80 80 LEU HD23 H 1 0.727 0.020 . 2 . . . . . 80 LEU HD2 . 52562 1 613 . 1 . 1 80 80 LEU C C 13 179.662 0.3 . 1 . . . . . 80 LEU C . 52562 1 614 . 1 . 1 80 80 LEU CA C 13 58.603 0.3 . 1 . . . . . 80 LEU CA . 52562 1 615 . 1 . 1 80 80 LEU CB C 13 40.960 0.3 . 1 . . . . . 80 LEU CB . 52562 1 616 . 1 . 1 80 80 LEU CG C 13 26.916 0.3 . 1 . . . . . 80 LEU CG . 52562 1 617 . 1 . 1 80 80 LEU CD1 C 13 24.643 0.3 . 1 . . . . . 80 LEU CD1 . 52562 1 618 . 1 . 1 80 80 LEU CD2 C 13 24.643 0.3 . 1 . . . . . 80 LEU CD2 . 52562 1 619 . 1 . 1 80 80 LEU N N 15 124.382 0.3 . 1 . . . . . 80 LEU N . 52562 1 620 . 1 . 1 81 81 ASN H H 1 8.334 0.020 . 1 . . . . . 81 ASN H . 52562 1 621 . 1 . 1 81 81 ASN HA H 1 4.431 0.020 . 1 . . . . . 81 ASN HA . 52562 1 622 . 1 . 1 81 81 ASN C C 13 177.173 0.3 . 1 . . . . . 81 ASN C . 52562 1 623 . 1 . 1 81 81 ASN CA C 13 55.338 0.3 . 1 . . . . . 81 ASN CA . 52562 1 624 . 1 . 1 81 81 ASN CB C 13 37.122 0.3 . 1 . . . . . 81 ASN CB . 52562 1 625 . 1 . 1 81 81 ASN N N 15 118.299 0.3 . 1 . . . . . 81 ASN N . 52562 1 626 . 1 . 1 82 82 ALA H H 1 7.462 0.020 . 1 . . . . . 82 ALA H . 52562 1 627 . 1 . 1 82 82 ALA HA H 1 4.176 0.020 . 1 . . . . . 82 ALA HA . 52562 1 628 . 1 . 1 82 82 ALA HB1 H 1 1.070 0.020 . 1 . . . . . 82 ALA HB . 52562 1 629 . 1 . 1 82 82 ALA HB2 H 1 1.070 0.020 . 1 . . . . . 82 ALA HB . 52562 1 630 . 1 . 1 82 82 ALA HB3 H 1 1.070 0.020 . 1 . . . . . 82 ALA HB . 52562 1 631 . 1 . 1 82 82 ALA C C 13 179.045 0.3 . 1 . . . . . 82 ALA C . 52562 1 632 . 1 . 1 82 82 ALA CA C 13 54.192 0.3 . 1 . . . . . 82 ALA CA . 52562 1 633 . 1 . 1 82 82 ALA CB C 13 18.735 0.3 . 1 . . . . . 82 ALA CB . 52562 1 634 . 1 . 1 82 82 ALA N N 15 120.795 0.3 . 1 . . . . . 82 ALA N . 52562 1 635 . 1 . 1 83 83 PHE H H 1 8.485 0.020 . 1 . . . . . 83 PHE H . 52562 1 636 . 1 . 1 83 83 PHE HA H 1 4.431 0.020 . 1 . . . . . 83 PHE HA . 52562 1 637 . 1 . 1 83 83 PHE C C 13 178.637 0.3 . 1 . . . . . 83 PHE C . 52562 1 638 . 1 . 1 83 83 PHE CA C 13 61.810 0.3 . 1 . . . . . 83 PHE CA . 52562 1 639 . 1 . 1 83 83 PHE CB C 13 40.101 0.3 . 1 . . . . . 83 PHE CB . 52562 1 640 . 1 . 1 83 83 PHE N N 15 112.216 0.3 . 1 . . . . . 83 PHE N . 52562 1 641 . 1 . 1 84 84 SER H H 1 7.985 0.020 . 1 . . . . . 84 SER H . 52562 1 642 . 1 . 1 84 84 SER C C 13 171.819 0.3 . 1 . . . . . 84 SER C . 52562 1 643 . 1 . 1 84 84 SER CA C 13 65.934 0.3 . 1 . . . . . 84 SER CA . 52562 1 644 . 1 . 1 84 84 SER CB C 13 62.268 0.3 . 1 . . . . . 84 SER CB . 52562 1 645 . 1 . 1 84 84 SER N N 15 117.279 0.3 . 1 . . . . . 84 SER N . 52562 1 646 . 1 . 1 86 86 TYR H H 1 7.177 0.020 . 1 . . . . . 86 TYR H . 52562 1 647 . 1 . 1 86 86 TYR HA H 1 4.917 0.020 . 1 . . . . . 86 TYR HA . 52562 1 648 . 1 . 1 86 86 TYR C C 13 177.225 0.3 . 1 . . . . . 86 TYR C . 52562 1 649 . 1 . 1 86 86 TYR CA C 13 57.433 0.3 . 1 . . . . . 86 TYR CA . 52562 1 650 . 1 . 1 86 86 TYR CB C 13 41.877 0.3 . 1 . . . . . 86 TYR CB . 52562 1 651 . 1 . 1 86 86 TYR N N 15 111.864 0.3 . 1 . . . . . 86 TYR N . 52562 1 652 . 1 . 1 87 87 ILE H H 1 7.543 0.020 . 1 . . . . . 87 ILE H . 52562 1 653 . 1 . 1 87 87 ILE HA H 1 4.211 0.020 . 1 . . . . . 87 ILE HA . 52562 1 654 . 1 . 1 87 87 ILE HG21 H 1 -0.139 0.020 . 1 . . . . . 87 ILE HG2 . 52562 1 655 . 1 . 1 87 87 ILE HG22 H 1 -0.139 0.020 . 1 . . . . . 87 ILE HG2 . 52562 1 656 . 1 . 1 87 87 ILE HG23 H 1 -0.139 0.020 . 1 . . . . . 87 ILE HG2 . 52562 1 657 . 1 . 1 87 87 ILE HD11 H 1 0.699 0.020 . 1 . . . . . 87 ILE HD1 . 52562 1 658 . 1 . 1 87 87 ILE HD12 H 1 0.699 0.020 . 1 . . . . . 87 ILE HD1 . 52562 1 659 . 1 . 1 87 87 ILE HD13 H 1 0.699 0.020 . 1 . . . . . 87 ILE HD1 . 52562 1 660 . 1 . 1 87 87 ILE C C 13 176.106 0.3 . 1 . . . . . 87 ILE C . 52562 1 661 . 1 . 1 87 87 ILE CA C 13 60.435 0.3 . 1 . . . . . 87 ILE CA . 52562 1 662 . 1 . 1 87 87 ILE CB C 13 38.554 0.3 . 1 . . . . . 87 ILE CB . 52562 1 663 . 1 . 1 87 87 ILE CG2 C 13 17.624 0.3 . 1 . . . . . 87 ILE CG2 . 52562 1 664 . 1 . 1 87 87 ILE CD1 C 13 13.747 0.3 . 1 . . . . . 87 ILE CD1 . 52562 1 665 . 1 . 1 87 87 ILE N N 15 120.127 0.3 . 1 . . . . . 87 ILE N . 52562 1 666 . 1 . 1 88 88 ALA H H 1 9.095 0.020 . 1 . . . . . 88 ALA H . 52562 1 667 . 1 . 1 88 88 ALA HB1 H 1 1.187 0.020 . 1 . . . . . 88 ALA HB . 52562 1 668 . 1 . 1 88 88 ALA HB2 H 1 1.187 0.020 . 1 . . . . . 88 ALA HB . 52562 1 669 . 1 . 1 88 88 ALA HB3 H 1 1.187 0.020 . 1 . . . . . 88 ALA HB . 52562 1 670 . 1 . 1 88 88 ALA C C 13 178.867 0.3 . 1 . . . . . 88 ALA C . 52562 1 671 . 1 . 1 88 88 ALA CA C 13 55.853 0.3 . 1 . . . . . 88 ALA CA . 52562 1 672 . 1 . 1 88 88 ALA CB C 13 17.991 0.3 . 1 . . . . . 88 ALA CB . 52562 1 673 . 1 . 1 88 88 ALA N N 15 130.535 0.3 . 1 . . . . . 88 ALA N . 52562 1 674 . 1 . 1 89 89 ASP H H 1 8.663 0.020 . 1 . . . . . 89 ASP H . 52562 1 675 . 1 . 1 89 89 ASP HA H 1 4.348 0.020 . 1 . . . . . 89 ASP HA . 52562 1 676 . 1 . 1 89 89 ASP C C 13 179.777 0.3 . 1 . . . . . 89 ASP C . 52562 1 677 . 1 . 1 89 89 ASP CB C 13 40.101 0.3 . 1 . . . . . 89 ASP CB . 52562 1 678 . 1 . 1 89 89 ASP N N 15 119.164 0.3 . 1 . . . . . 89 ASP N . 52562 1 679 . 1 . 1 90 90 ALA H H 1 8.072 0.020 . 1 . . . . . 90 ALA H . 52562 1 680 . 1 . 1 90 90 ALA HA H 1 3.977 0.020 . 1 . . . . . 90 ALA HA . 52562 1 681 . 1 . 1 90 90 ALA HB1 H 1 1.558 0.020 . 1 . . . . . 90 ALA HB . 52562 1 682 . 1 . 1 90 90 ALA HB2 H 1 1.558 0.020 . 1 . . . . . 90 ALA HB . 52562 1 683 . 1 . 1 90 90 ALA HB3 H 1 1.558 0.020 . 1 . . . . . 90 ALA HB . 52562 1 684 . 1 . 1 90 90 ALA C C 13 178.605 0.3 . 1 . . . . . 90 ALA C . 52562 1 685 . 1 . 1 90 90 ALA CA C 13 55.051 0.3 . 1 . . . . . 90 ALA CA . 52562 1 686 . 1 . 1 90 90 ALA CB C 13 20.167 0.3 . 1 . . . . . 90 ALA CB . 52562 1 687 . 1 . 1 90 90 ALA N N 15 122.448 0.3 . 1 . . . . . 90 ALA N . 52562 1 688 . 1 . 1 91 91 THR H H 1 8.375 0.020 . 1 . . . . . 91 THR H . 52562 1 689 . 1 . 1 91 91 THR HG21 H 1 1.396 0.020 . 1 . . . . . 91 THR HG2 . 52562 1 690 . 1 . 1 91 91 THR HG22 H 1 1.396 0.020 . 1 . . . . . 91 THR HG2 . 52562 1 691 . 1 . 1 91 91 THR HG23 H 1 1.396 0.020 . 1 . . . . . 91 THR HG2 . 52562 1 692 . 1 . 1 91 91 THR C C 13 177.100 0.3 . 1 . . . . . 91 THR C . 52562 1 693 . 1 . 1 91 91 THR CA C 13 67.596 0.3 . 1 . . . . . 91 THR CA . 52562 1 694 . 1 . 1 91 91 THR CB C 13 68.226 0.3 . 1 . . . . . 91 THR CB . 52562 1 695 . 1 . 1 91 91 THR CG2 C 13 22.437 0.3 . 1 . . . . . 91 THR CG2 . 52562 1 696 . 1 . 1 91 91 THR N N 15 114.748 0.3 . 1 . . . . . 91 THR N . 52562 1 697 . 1 . 1 92 92 ALA H H 1 8.247 0.020 . 1 . . . . . 92 ALA H . 52562 1 698 . 1 . 1 92 92 ALA HA H 1 4.121 0.020 . 1 . . . . . 92 ALA HA . 52562 1 699 . 1 . 1 92 92 ALA HB1 H 1 1.496 0.020 . 1 . . . . . 92 ALA HB . 52562 1 700 . 1 . 1 92 92 ALA HB2 H 1 1.496 0.020 . 1 . . . . . 92 ALA HB . 52562 1 701 . 1 . 1 92 92 ALA HB3 H 1 1.496 0.020 . 1 . . . . . 92 ALA HB . 52562 1 702 . 1 . 1 92 92 ALA C C 13 178.731 0.3 . 1 . . . . . 92 ALA C . 52562 1 703 . 1 . 1 92 92 ALA CA C 13 55.796 0.3 . 1 . . . . . 92 ALA CA . 52562 1 704 . 1 . 1 92 92 ALA CB C 13 18.564 0.3 . 1 . . . . . 92 ALA CB . 52562 1 705 . 1 . 1 92 92 ALA N N 15 124.522 0.3 . 1 . . . . . 92 ALA N . 52562 1 706 . 1 . 1 93 93 LEU H H 1 7.834 0.020 . 1 . . . . . 93 LEU H . 52562 1 707 . 1 . 1 93 93 LEU HD11 H 1 0.826 0.020 . 2 . . . . . 93 LEU HD1 . 52562 1 708 . 1 . 1 93 93 LEU HD12 H 1 0.826 0.020 . 2 . . . . . 93 LEU HD1 . 52562 1 709 . 1 . 1 93 93 LEU HD13 H 1 0.826 0.020 . 2 . . . . . 93 LEU HD1 . 52562 1 710 . 1 . 1 93 93 LEU HD21 H 1 0.710 0.020 . 2 . . . . . 93 LEU HD2 . 52562 1 711 . 1 . 1 93 93 LEU HD22 H 1 0.710 0.020 . 2 . . . . . 93 LEU HD2 . 52562 1 712 . 1 . 1 93 93 LEU HD23 H 1 0.710 0.020 . 2 . . . . . 93 LEU HD2 . 52562 1 713 . 1 . 1 93 93 LEU C C 13 178.396 0.3 . 1 . . . . . 93 LEU C . 52562 1 714 . 1 . 1 93 93 LEU CA C 13 57.743 0.3 . 1 . . . . . 93 LEU CA . 52562 1 715 . 1 . 1 93 93 LEU CB C 13 41.418 0.3 . 1 . . . . . 93 LEU CB . 52562 1 716 . 1 . 1 93 93 LEU CG C 13 26.812 0.3 . 1 . . . . . 93 LEU CG . 52562 1 717 . 1 . 1 93 93 LEU CD1 C 13 23.776 0.3 . 1 . . . . . 93 LEU CD1 . 52562 1 718 . 1 . 1 93 93 LEU CD2 C 13 25.380 0.3 . 1 . . . . . 93 LEU CD2 . 52562 1 719 . 1 . 1 93 93 LEU N N 15 120.409 0.3 . 1 . . . . . 93 LEU N . 52562 1 720 . 1 . 1 94 94 ALA H H 1 7.508 0.020 . 1 . . . . . 94 ALA H . 52562 1 721 . 1 . 1 94 94 ALA HA H 1 3.764 0.020 . 1 . . . . . 94 ALA HA . 52562 1 722 . 1 . 1 94 94 ALA HB1 H 1 1.297 0.020 . 1 . . . . . 94 ALA HB . 52562 1 723 . 1 . 1 94 94 ALA HB2 H 1 1.297 0.020 . 1 . . . . . 94 ALA HB . 52562 1 724 . 1 . 1 94 94 ALA HB3 H 1 1.297 0.020 . 1 . . . . . 94 ALA HB . 52562 1 725 . 1 . 1 94 94 ALA C C 13 177.403 0.3 . 1 . . . . . 94 ALA C . 52562 1 726 . 1 . 1 94 94 ALA CA C 13 54.421 0.3 . 1 . . . . . 94 ALA CA . 52562 1 727 . 1 . 1 94 94 ALA CB C 13 17.991 0.3 . 1 . . . . . 94 ALA CB . 52562 1 728 . 1 . 1 94 94 ALA N N 15 118.791 0.3 . 1 . . . . . 94 ALA N . 52562 1 729 . 1 . 1 95 95 TYR H H 1 7.729 0.020 . 1 . . . . . 95 TYR H . 52562 1 730 . 1 . 1 95 95 TYR C C 13 176.702 0.3 . 1 . . . . . 95 TYR C . 52562 1 731 . 1 . 1 95 95 TYR CA C 13 61.180 0.3 . 1 . . . . . 95 TYR CA . 52562 1 732 . 1 . 1 95 95 TYR CB C 13 41.304 0.3 . 1 . . . . . 95 TYR CB . 52562 1 733 . 1 . 1 95 95 TYR N N 15 120.127 0.3 . 1 . . . . . 95 TYR N . 52562 1 734 . 1 . 1 96 96 LYS H H 1 8.061 0.020 . 1 . . . . . 96 LYS H . 52562 1 735 . 1 . 1 96 96 LYS C C 13 177.089 0.3 . 1 . . . . . 96 LYS C . 52562 1 736 . 1 . 1 96 96 LYS CA C 13 58.832 0.3 . 1 . . . . . 96 LYS CA . 52562 1 737 . 1 . 1 96 96 LYS CB C 13 31.853 0.3 . 1 . . . . . 96 LYS CB . 52562 1 738 . 1 . 1 96 96 LYS N N 15 121.217 0.3 . 1 . . . . . 96 LYS N . 52562 1 739 . 1 . 1 98 98 ALA H H 1 7.078 0.020 . 1 . . . . . 98 ALA H . 52562 1 740 . 1 . 1 98 98 ALA C C 13 174.371 0.3 . 1 . . . . . 98 ALA C . 52562 1 741 . 1 . 1 98 98 ALA CA C 13 49.781 0.3 . 1 . . . . . 98 ALA CA . 52562 1 742 . 1 . 1 98 98 ALA CB C 13 17.590 0.3 . 1 . . . . . 98 ALA CB . 52562 1 743 . 1 . 1 98 98 ALA N N 15 124.101 0.3 . 1 . . . . . 98 ALA N . 52562 1 744 . 1 . 1 101 101 ASP H H 1 8.874 0.020 . 1 . . . . . 101 ASP H . 52562 1 745 . 1 . 1 101 101 ASP HA H 1 4.307 0.020 . 1 . . . . . 101 ASP HA . 52562 1 746 . 1 . 1 101 101 ASP C C 13 178.490 0.3 . 1 . . . . . 101 ASP C . 52562 1 747 . 1 . 1 101 101 ASP CA C 13 56.369 0.3 . 1 . . . . . 101 ASP CA . 52562 1 748 . 1 . 1 101 101 ASP CB C 13 39.585 0.3 . 1 . . . . . 101 ASP CB . 52562 1 749 . 1 . 1 101 101 ASP N N 15 116.822 0.3 . 1 . . . . . 101 ASP N . 52562 1 750 . 1 . 1 102 102 ILE H H 1 6.985 0.020 . 1 . . . . . 102 ILE H . 52562 1 751 . 1 . 1 102 102 ILE HA H 1 3.627 0.020 . 1 . . . . . 102 ILE HA . 52562 1 752 . 1 . 1 102 102 ILE HG21 H 1 0.672 0.020 . 1 . . . . . 102 ILE HG2 . 52562 1 753 . 1 . 1 102 102 ILE HG22 H 1 0.672 0.020 . 1 . . . . . 102 ILE HG2 . 52562 1 754 . 1 . 1 102 102 ILE HG23 H 1 0.672 0.020 . 1 . . . . . 102 ILE HG2 . 52562 1 755 . 1 . 1 102 102 ILE HD11 H 1 0.712 0.020 . 1 . . . . . 102 ILE HD1 . 52562 1 756 . 1 . 1 102 102 ILE HD12 H 1 0.712 0.020 . 1 . . . . . 102 ILE HD1 . 52562 1 757 . 1 . 1 102 102 ILE HD13 H 1 0.712 0.020 . 1 . . . . . 102 ILE HD1 . 52562 1 758 . 1 . 1 102 102 ILE C C 13 177.769 0.3 . 1 . . . . . 102 ILE C . 52562 1 759 . 1 . 1 102 102 ILE CA C 13 63.815 0.3 . 1 . . . . . 102 ILE CA . 52562 1 760 . 1 . 1 102 102 ILE CB C 13 36.550 0.3 . 1 . . . . . 102 ILE CB . 52562 1 761 . 1 . 1 102 102 ILE CG2 C 13 17.491 0.3 . 1 . . . . . 102 ILE CG2 . 52562 1 762 . 1 . 1 102 102 ILE CD1 C 13 11.608 0.3 . 1 . . . . . 102 ILE CD1 . 52562 1 763 . 1 . 1 102 102 ILE N N 15 122.342 0.3 . 1 . . . . . 102 ILE N . 52562 1 764 . 1 . 1 103 103 GLN H H 1 7.805 0.020 . 1 . . . . . 103 GLN H . 52562 1 765 . 1 . 1 103 103 GLN HA H 1 3.420 0.020 . 1 . . . . . 103 GLN HA . 52562 1 766 . 1 . 1 103 103 GLN C C 13 178.020 0.3 . 1 . . . . . 103 GLN C . 52562 1 767 . 1 . 1 103 103 GLN CA C 13 60.321 0.3 . 1 . . . . . 103 GLN CA . 52562 1 768 . 1 . 1 103 103 GLN CB C 13 27.213 0.3 . 1 . . . . . 103 GLN CB . 52562 1 769 . 1 . 1 103 103 GLN N N 15 120.022 0.3 . 1 . . . . . 103 GLN N . 52562 1 770 . 1 . 1 104 104 ALA H H 1 7.910 0.020 . 1 . . . . . 104 ALA H . 52562 1 771 . 1 . 1 104 104 ALA HA H 1 4.025 0.020 . 1 . . . . . 104 ALA HA . 52562 1 772 . 1 . 1 104 104 ALA HB1 H 1 1.421 0.020 . 1 . . . . . 104 ALA HB . 52562 1 773 . 1 . 1 104 104 ALA HB2 H 1 1.421 0.020 . 1 . . . . . 104 ALA HB . 52562 1 774 . 1 . 1 104 104 ALA HB3 H 1 1.421 0.020 . 1 . . . . . 104 ALA HB . 52562 1 775 . 1 . 1 104 104 ALA C C 13 181.042 0.3 . 1 . . . . . 104 ALA C . 52562 1 776 . 1 . 1 104 104 ALA CA C 13 55.108 0.3 . 1 . . . . . 104 ALA CA . 52562 1 777 . 1 . 1 104 104 ALA CB C 13 17.475 0.3 . 1 . . . . . 104 ALA CB . 52562 1 778 . 1 . 1 104 104 ALA N N 15 120.409 0.3 . 1 . . . . . 104 ALA N . 52562 1 779 . 1 . 1 105 105 LYS H H 1 7.363 0.020 . 1 . . . . . 105 LYS H . 52562 1 780 . 1 . 1 105 105 LYS HA H 1 3.888 0.020 . 1 . . . . . 105 LYS HA . 52562 1 781 . 1 . 1 105 105 LYS C C 13 180.226 0.3 . 1 . . . . . 105 LYS C . 52562 1 782 . 1 . 1 105 105 LYS CA C 13 59.977 0.3 . 1 . . . . . 105 LYS CA . 52562 1 783 . 1 . 1 105 105 LYS CB C 13 32.655 0.3 . 1 . . . . . 105 LYS CB . 52562 1 784 . 1 . 1 105 105 LYS N N 15 120.092 0.3 . 1 . . . . . 105 LYS N . 52562 1 785 . 1 . 1 106 106 LEU H H 1 8.206 0.020 . 1 . . . . . 106 LEU H . 52562 1 786 . 1 . 1 106 106 LEU HA H 1 3.819 0.020 . 1 . . . . . 106 LEU HA . 52562 1 787 . 1 . 1 106 106 LEU HD11 H 1 0.686 0.020 . 1 . . . . . 106 LEU HD1 . 52562 1 788 . 1 . 1 106 106 LEU HD12 H 1 0.686 0.020 . 1 . . . . . 106 LEU HD1 . 52562 1 789 . 1 . 1 106 106 LEU HD13 H 1 0.686 0.020 . 1 . . . . . 106 LEU HD1 . 52562 1 790 . 1 . 1 106 106 LEU HD21 H 1 0.686 0.020 . 1 . . . . . 106 LEU HD2 . 52562 1 791 . 1 . 1 106 106 LEU HD22 H 1 0.686 0.020 . 1 . . . . . 106 LEU HD2 . 52562 1 792 . 1 . 1 106 106 LEU HD23 H 1 0.686 0.020 . 1 . . . . . 106 LEU HD2 . 52562 1 793 . 1 . 1 106 106 LEU C C 13 178.731 0.3 . 1 . . . . . 106 LEU C . 52562 1 794 . 1 . 1 106 106 LEU CA C 13 57.801 0.3 . 1 . . . . . 106 LEU CA . 52562 1 795 . 1 . 1 106 106 LEU CB C 13 42.163 0.3 . 1 . . . . . 106 LEU CB . 52562 1 796 . 1 . 1 106 106 LEU CD1 C 13 26.649 0.3 . 1 . . . . . 106 LEU CD1 . 52562 1 797 . 1 . 1 106 106 LEU CD2 C 13 24.109 0.3 . 1 . . . . . 106 LEU CD2 . 52562 1 798 . 1 . 1 106 106 LEU N N 15 122.413 0.3 . 1 . . . . . 106 LEU N . 52562 1 799 . 1 . 1 107 107 ARG H H 1 8.119 0.020 . 1 . . . . . 107 ARG H . 52562 1 800 . 1 . 1 107 107 ARG HA H 1 3.991 0.020 . 1 . . . . . 107 ARG HA . 52562 1 801 . 1 . 1 107 107 ARG C C 13 178.229 0.3 . 1 . . . . . 107 ARG C . 52562 1 802 . 1 . 1 107 107 ARG CA C 13 60.894 0.3 . 1 . . . . . 107 ARG CA . 52562 1 803 . 1 . 1 107 107 ARG CB C 13 29.275 0.3 . 1 . . . . . 107 ARG CB . 52562 1 804 . 1 . 1 107 107 ARG N N 15 120.303 0.3 . 1 . . . . . 107 ARG N . 52562 1 805 . 1 . 1 108 108 ARG H H 1 7.532 0.020 . 1 . . . . . 108 ARG H . 52562 1 806 . 1 . 1 108 108 ARG HA H 1 4.176 0.020 . 1 . . . . . 108 ARG HA . 52562 1 807 . 1 . 1 108 108 ARG C C 13 178.710 0.3 . 1 . . . . . 108 ARG C . 52562 1 808 . 1 . 1 108 108 ARG CA C 13 58.832 0.3 . 1 . . . . . 108 ARG CA . 52562 1 809 . 1 . 1 108 108 ARG CB C 13 29.160 0.3 . 1 . . . . . 108 ARG CB . 52562 1 810 . 1 . 1 108 108 ARG N N 15 119.776 0.3 . 1 . . . . . 108 ARG N . 52562 1 811 . 1 . 1 109 109 VAL H H 1 7.288 0.020 . 1 . . . . . 109 VAL H . 52562 1 812 . 1 . 1 109 109 VAL HA H 1 3.173 0.020 . 1 . . . . . 109 VAL HA . 52562 1 813 . 1 . 1 109 109 VAL HB H 1 1.400 0.020 . 1 . . . . . 109 VAL HB . 52562 1 814 . 1 . 1 109 109 VAL HG11 H 1 -0.493 0.020 . 2 . . . . . 109 VAL HG1 . 52562 1 815 . 1 . 1 109 109 VAL HG12 H 1 -0.493 0.020 . 2 . . . . . 109 VAL HG1 . 52562 1 816 . 1 . 1 109 109 VAL HG13 H 1 -0.493 0.020 . 2 . . . . . 109 VAL HG1 . 52562 1 817 . 1 . 1 109 109 VAL HG21 H 1 0.823 0.020 . 2 . . . . . 109 VAL HG2 . 52562 1 818 . 1 . 1 109 109 VAL HG22 H 1 0.823 0.020 . 2 . . . . . 109 VAL HG2 . 52562 1 819 . 1 . 1 109 109 VAL HG23 H 1 0.823 0.020 . 2 . . . . . 109 VAL HG2 . 52562 1 820 . 1 . 1 109 109 VAL C C 13 176.472 0.3 . 1 . . . . . 109 VAL C . 52562 1 821 . 1 . 1 109 109 VAL CA C 13 66.049 0.3 . 1 . . . . . 109 VAL CA . 52562 1 822 . 1 . 1 109 109 VAL CB C 13 30.478 0.3 . 1 . . . . . 109 VAL CB . 52562 1 823 . 1 . 1 109 109 VAL CG1 C 13 19.824 0.3 . 1 . . . . . 109 VAL CG1 . 52562 1 824 . 1 . 1 109 109 VAL CG2 C 13 22.905 0.3 . 1 . . . . . 109 VAL CG2 . 52562 1 825 . 1 . 1 109 109 VAL N N 15 121.358 0.3 . 1 . . . . . 109 VAL N . 52562 1 826 . 1 . 1 110 110 LEU H H 1 7.363 0.020 . 1 . . . . . 110 LEU H . 52562 1 827 . 1 . 1 110 110 LEU HA H 1 3.737 0.020 . 1 . . . . . 110 LEU HA . 52562 1 828 . 1 . 1 110 110 LEU HB2 H 1 2.101 0.020 . 1 . . . . . 110 LEU HB2 . 52562 1 829 . 1 . 1 110 110 LEU HB3 H 1 2.101 0.020 . 1 . . . . . 110 LEU HB3 . 52562 1 830 . 1 . 1 110 110 LEU HG H 1 1.146 0.020 . 1 . . . . . 110 LEU HG . 52562 1 831 . 1 . 1 110 110 LEU HD11 H 1 1.027 0.020 . 2 . . . . . 110 LEU HD1 . 52562 1 832 . 1 . 1 110 110 LEU HD12 H 1 1.027 0.020 . 2 . . . . . 110 LEU HD1 . 52562 1 833 . 1 . 1 110 110 LEU HD13 H 1 1.027 0.020 . 2 . . . . . 110 LEU HD1 . 52562 1 834 . 1 . 1 110 110 LEU HD21 H 1 0.637 0.020 . 2 . . . . . 110 LEU HD2 . 52562 1 835 . 1 . 1 110 110 LEU HD22 H 1 0.637 0.020 . 2 . . . . . 110 LEU HD2 . 52562 1 836 . 1 . 1 110 110 LEU HD23 H 1 0.637 0.020 . 2 . . . . . 110 LEU HD2 . 52562 1 837 . 1 . 1 110 110 LEU C C 13 177.748 0.3 . 1 . . . . . 110 LEU C . 52562 1 838 . 1 . 1 110 110 LEU CA C 13 57.743 0.3 . 1 . . . . . 110 LEU CA . 52562 1 839 . 1 . 1 110 110 LEU CB C 13 41.132 0.3 . 1 . . . . . 110 LEU CB . 52562 1 840 . 1 . 1 110 110 LEU CG C 13 27.117 0.3 . 1 . . . . . 110 LEU CG . 52562 1 841 . 1 . 1 110 110 LEU CD1 C 13 23.841 0.3 . 1 . . . . . 110 LEU CD1 . 52562 1 842 . 1 . 1 110 110 LEU CD2 C 13 25.225 0.3 . 1 . . . . . 110 LEU CD2 . 52562 1 843 . 1 . 1 110 110 LEU N N 15 120.257 0.3 . 1 . . . . . 110 LEU N . 52562 1 844 . 1 . 1 111 111 ASP H H 1 7.927 0.020 . 1 . . . . . 111 ASP H . 52562 1 845 . 1 . 1 111 111 ASP HA H 1 4.321 0.020 . 1 . . . . . 111 ASP HA . 52562 1 846 . 1 . 1 111 111 ASP C C 13 179.484 0.3 . 1 . . . . . 111 ASP C . 52562 1 847 . 1 . 1 111 111 ASP CA C 13 57.858 0.3 . 1 . . . . . 111 ASP CA . 52562 1 848 . 1 . 1 111 111 ASP CB C 13 40.216 0.3 . 1 . . . . . 111 ASP CB . 52562 1 849 . 1 . 1 111 111 ASP N N 15 119.037 0.3 . 1 . . . . . 111 ASP N . 52562 1 850 . 1 . 1 112 112 VAL H H 1 7.665 0.020 . 1 . . . . . 112 VAL H . 52562 1 851 . 1 . 1 112 112 VAL HA H 1 3.812 0.020 . 1 . . . . . 112 VAL HA . 52562 1 852 . 1 . 1 112 112 VAL HB H 1 2.149 0.020 . 1 . . . . . 112 VAL HB . 52562 1 853 . 1 . 1 112 112 VAL HG11 H 1 0.899 0.020 . 2 . . . . . 112 VAL HG1 . 52562 1 854 . 1 . 1 112 112 VAL HG12 H 1 0.899 0.020 . 2 . . . . . 112 VAL HG1 . 52562 1 855 . 1 . 1 112 112 VAL HG13 H 1 0.899 0.020 . 2 . . . . . 112 VAL HG1 . 52562 1 856 . 1 . 1 112 112 VAL HG21 H 1 0.960 0.020 . 2 . . . . . 112 VAL HG2 . 52562 1 857 . 1 . 1 112 112 VAL HG22 H 1 0.960 0.020 . 2 . . . . . 112 VAL HG2 . 52562 1 858 . 1 . 1 112 112 VAL HG23 H 1 0.960 0.020 . 2 . . . . . 112 VAL HG2 . 52562 1 859 . 1 . 1 112 112 VAL C C 13 178.208 0.3 . 1 . . . . . 112 VAL C . 52562 1 860 . 1 . 1 112 112 VAL CA C 13 66.393 0.3 . 1 . . . . . 112 VAL CA . 52562 1 861 . 1 . 1 112 112 VAL CB C 13 30.822 0.3 . 1 . . . . . 112 VAL CB . 52562 1 862 . 1 . 1 112 112 VAL CG1 C 13 21.116 0.3 . 1 . . . . . 112 VAL CG1 . 52562 1 863 . 1 . 1 112 112 VAL CG2 C 13 22.512 0.3 . 1 . . . . . 112 VAL CG2 . 52562 1 864 . 1 . 1 112 112 VAL N N 15 123.397 0.3 . 1 . . . . . 112 VAL N . 52562 1 865 . 1 . 1 113 113 TRP H H 1 8.514 0.020 . 1 . . . . . 113 TRP H . 52562 1 866 . 1 . 1 113 113 TRP HA H 1 4.465 0.020 . 1 . . . . . 113 TRP HA . 52562 1 867 . 1 . 1 113 113 TRP C C 13 179.400 0.3 . 1 . . . . . 113 TRP C . 52562 1 868 . 1 . 1 113 113 TRP CA C 13 58.259 0.3 . 1 . . . . . 113 TRP CA . 52562 1 869 . 1 . 1 113 113 TRP CB C 13 29.160 0.3 . 1 . . . . . 113 TRP CB . 52562 1 870 . 1 . 1 113 113 TRP N N 15 122.553 0.3 . 1 . . . . . 113 TRP N . 52562 1 871 . 1 . 1 114 114 LYS H H 1 8.544 0.020 . 1 . . . . . 114 LYS H . 52562 1 872 . 1 . 1 114 114 LYS HA H 1 4.158 0.020 . 1 . . . . . 114 LYS HA . 52562 1 873 . 1 . 1 114 114 LYS C C 13 179.818 0.3 . 1 . . . . . 114 LYS C . 52562 1 874 . 1 . 1 114 114 LYS CA C 13 59.118 0.3 . 1 . . . . . 114 LYS CA . 52562 1 875 . 1 . 1 114 114 LYS CB C 13 32.655 0.3 . 1 . . . . . 114 LYS CB . 52562 1 876 . 1 . 1 114 114 LYS N N 15 117.725 0.3 . 1 . . . . . 114 LYS N . 52562 1 877 . 1 . 1 115 115 GLU H H 1 8.314 0.020 . 1 . . . . . 115 GLU H . 52562 1 878 . 1 . 1 115 115 GLU HA H 1 3.963 0.020 . 1 . . . . . 115 GLU HA . 52562 1 879 . 1 . 1 115 115 GLU C C 13 178.564 0.3 . 1 . . . . . 115 GLU C . 52562 1 880 . 1 . 1 115 115 GLU CA C 13 59.404 0.3 . 1 . . . . . 115 GLU CA . 52562 1 881 . 1 . 1 115 115 GLU CB C 13 30.478 0.3 . 1 . . . . . 115 GLU CB . 52562 1 882 . 1 . 1 115 115 GLU N N 15 122.097 0.3 . 1 . . . . . 115 GLU N . 52562 1 883 . 1 . 1 116 116 ARG H H 1 8.386 0.020 . 1 . . . . . 116 ARG H . 52562 1 884 . 1 . 1 116 116 ARG HA H 1 4.307 0.020 . 1 . . . . . 116 ARG HA . 52562 1 885 . 1 . 1 116 116 ARG C C 13 174.507 0.3 . 1 . . . . . 116 ARG C . 52562 1 886 . 1 . 1 116 116 ARG CA C 13 55.395 0.3 . 1 . . . . . 116 ARG CA . 52562 1 887 . 1 . 1 116 116 ARG CB C 13 29.848 0.3 . 1 . . . . . 116 ARG CB . 52562 1 888 . 1 . 1 116 116 ARG CG C 13 27.651 0.3 . 1 . . . . . 116 ARG CG . 52562 1 889 . 1 . 1 116 116 ARG N N 15 114.220 0.3 . 1 . . . . . 116 ARG N . 52562 1 890 . 1 . 1 117 117 CYS H H 1 7.700 0.020 . 1 . . . . . 117 CYS H . 52562 1 891 . 1 . 1 117 117 CYS C C 13 175.082 0.3 . 1 . . . . . 117 CYS C . 52562 1 892 . 1 . 1 117 117 CYS CA C 13 59.404 0.3 . 1 . . . . . 117 CYS CA . 52562 1 893 . 1 . 1 117 117 CYS CB C 13 24.750 0.3 . 1 . . . . . 117 CYS CB . 52562 1 894 . 1 . 1 117 117 CYS N N 15 117.596 0.3 . 1 . . . . . 117 CYS N . 52562 1 895 . 1 . 1 118 118 ILE HG21 H 1 -0.355 0.020 . 1 . . . . . 118 ILE HG2 . 52562 1 896 . 1 . 1 118 118 ILE HG22 H 1 -0.355 0.020 . 1 . . . . . 118 ILE HG2 . 52562 1 897 . 1 . 1 118 118 ILE HG23 H 1 -0.355 0.020 . 1 . . . . . 118 ILE HG2 . 52562 1 898 . 1 . 1 118 118 ILE HD11 H 1 0.509 0.020 . 1 . . . . . 118 ILE HD1 . 52562 1 899 . 1 . 1 118 118 ILE HD12 H 1 0.509 0.020 . 1 . . . . . 118 ILE HD1 . 52562 1 900 . 1 . 1 118 118 ILE HD13 H 1 0.509 0.020 . 1 . . . . . 118 ILE HD1 . 52562 1 901 . 1 . 1 118 118 ILE CA C 13 61.462 0.3 . 1 . . . . . 118 ILE CA . 52562 1 902 . 1 . 1 118 118 ILE CB C 13 35.604 0.3 . 1 . . . . . 118 ILE CB . 52562 1 903 . 1 . 1 118 118 ILE CG1 C 13 27.983 0.3 . 1 . . . . . 118 ILE CG1 . 52562 1 904 . 1 . 1 118 118 ILE CG2 C 13 16.290 0.3 . 1 . . . . . 118 ILE CG2 . 52562 1 905 . 1 . 1 118 118 ILE CD1 C 13 9.474 0.3 . 1 . . . . . 118 ILE CD1 . 52562 1 906 . 1 . 1 120 120 ASP H H 1 8.291 0.020 . 1 . . . . . 120 ASP H . 52562 1 907 . 1 . 1 120 120 ASP C C 13 176.399 0.3 . 1 . . . . . 120 ASP C . 52562 1 908 . 1 . 1 120 120 ASP CA C 13 54.593 0.3 . 1 . . . . . 120 ASP CA . 52562 1 909 . 1 . 1 120 120 ASP CB C 13 42.449 0.3 . 1 . . . . . 120 ASP CB . 52562 1 910 . 1 . 1 120 120 ASP N N 15 118.992 0.3 . 1 . . . . . 120 ASP N . 52562 1 911 . 1 . 1 121 121 ARG H H 1 8.491 0.020 . 1 . . . . . 121 ARG H . 52562 1 912 . 1 . 1 121 121 ARG HA H 1 3.798 0.020 . 1 . . . . . 121 ARG HA . 52562 1 913 . 1 . 1 121 121 ARG C C 13 177.853 0.3 . 1 . . . . . 121 ARG C . 52562 1 914 . 1 . 1 121 121 ARG CA C 13 59.634 0.3 . 1 . . . . . 121 ARG CA . 52562 1 915 . 1 . 1 121 121 ARG CB C 13 29.733 0.3 . 1 . . . . . 121 ARG CB . 52562 1 916 . 1 . 1 121 121 ARG N N 15 122.659 0.3 . 1 . . . . . 121 ARG N . 52562 1 917 . 1 . 1 122 122 ASP H H 1 8.671 0.020 . 1 . . . . . 122 ASP H . 52562 1 918 . 1 . 1 122 122 ASP HA H 1 4.259 0.020 . 1 . . . . . 122 ASP HA . 52562 1 919 . 1 . 1 122 122 ASP C C 13 178.940 0.3 . 1 . . . . . 122 ASP C . 52562 1 920 . 1 . 1 122 122 ASP CA C 13 57.228 0.3 . 1 . . . . . 122 ASP CA . 52562 1 921 . 1 . 1 122 122 ASP CB C 13 39.528 0.3 . 1 . . . . . 122 ASP CB . 52562 1 922 . 1 . 1 122 122 ASP N N 15 119.108 0.3 . 1 . . . . . 122 ASP N . 52562 1 923 . 1 . 1 123 123 ILE H H 1 7.259 0.020 . 1 . . . . . 123 ILE H . 52562 1 924 . 1 . 1 123 123 ILE HA H 1 3.730 0.020 . 1 . . . . . 123 ILE HA . 52562 1 925 . 1 . 1 123 123 ILE HG21 H 1 0.479 0.020 . 1 . . . . . 123 ILE HG2 . 52562 1 926 . 1 . 1 123 123 ILE HG22 H 1 0.479 0.020 . 1 . . . . . 123 ILE HG2 . 52562 1 927 . 1 . 1 123 123 ILE HG23 H 1 0.479 0.020 . 1 . . . . . 123 ILE HG2 . 52562 1 928 . 1 . 1 123 123 ILE HD11 H 1 0.854 0.020 . 1 . . . . . 123 ILE HD1 . 52562 1 929 . 1 . 1 123 123 ILE HD12 H 1 0.854 0.020 . 1 . . . . . 123 ILE HD1 . 52562 1 930 . 1 . 1 123 123 ILE HD13 H 1 0.854 0.020 . 1 . . . . . 123 ILE HD1 . 52562 1 931 . 1 . 1 123 123 ILE C C 13 177.873 0.3 . 1 . . . . . 123 ILE C . 52562 1 932 . 1 . 1 123 123 ILE CA C 13 63.987 0.3 . 1 . . . . . 123 ILE CA . 52562 1 933 . 1 . 1 123 123 ILE CB C 13 37.581 0.3 . 1 . . . . . 123 ILE CB . 52562 1 934 . 1 . 1 123 123 ILE CG2 C 13 16.755 0.3 . 1 . . . . . 123 ILE CG2 . 52562 1 935 . 1 . 1 123 123 ILE CD1 C 13 13.441 0.3 . 1 . . . . . 123 ILE CD1 . 52562 1 936 . 1 . 1 123 123 ILE N N 15 123.327 0.3 . 1 . . . . . 123 ILE N . 52562 1 937 . 1 . 1 124 124 LEU H H 1 7.493 0.020 . 1 . . . . . 124 LEU H . 52562 1 938 . 1 . 1 124 124 LEU HA H 1 3.846 0.020 . 1 . . . . . 124 LEU HA . 52562 1 939 . 1 . 1 124 124 LEU HD11 H 1 0.973 0.020 . 2 . . . . . 124 LEU HD1 . 52562 1 940 . 1 . 1 124 124 LEU HD12 H 1 0.973 0.020 . 2 . . . . . 124 LEU HD1 . 52562 1 941 . 1 . 1 124 124 LEU HD13 H 1 0.973 0.020 . 2 . . . . . 124 LEU HD1 . 52562 1 942 . 1 . 1 124 124 LEU HD21 H 1 0.900 0.020 . 2 . . . . . 124 LEU HD2 . 52562 1 943 . 1 . 1 124 124 LEU HD22 H 1 0.900 0.020 . 2 . . . . . 124 LEU HD2 . 52562 1 944 . 1 . 1 124 124 LEU HD23 H 1 0.900 0.020 . 2 . . . . . 124 LEU HD2 . 52562 1 945 . 1 . 1 124 124 LEU C C 13 179.515 0.3 . 1 . . . . . 124 LEU C . 52562 1 946 . 1 . 1 124 124 LEU CA C 13 57.743 0.3 . 1 . . . . . 124 LEU CA . 52562 1 947 . 1 . 1 124 124 LEU CB C 13 40.216 0.3 . 1 . . . . . 124 LEU CB . 52562 1 948 . 1 . 1 124 124 LEU CD1 C 13 24.175 0.3 . 1 . . . . . 124 LEU CD1 . 52562 1 949 . 1 . 1 124 124 LEU CD2 C 13 26.983 0.3 . 1 . . . . . 124 LEU CD2 . 52562 1 950 . 1 . 1 124 124 LEU N N 15 118.055 0.3 . 1 . . . . . 124 LEU N . 52562 1 951 . 1 . 1 125 125 GLN H H 1 8.340 0.020 . 1 . . . . . 125 GLN H . 52562 1 952 . 1 . 1 125 125 GLN HA H 1 3.998 0.020 . 1 . . . . . 125 GLN HA . 52562 1 953 . 1 . 1 125 125 GLN C C 13 178.219 0.3 . 1 . . . . . 125 GLN C . 52562 1 954 . 1 . 1 125 125 GLN CA C 13 58.431 0.3 . 1 . . . . . 125 GLN CA . 52562 1 955 . 1 . 1 125 125 GLN CB C 13 28.129 0.3 . 1 . . . . . 125 GLN CB . 52562 1 956 . 1 . 1 125 125 GLN N N 15 119.002 0.3 . 1 . . . . . 125 GLN N . 52562 1 957 . 1 . 1 126 126 ASP H H 1 7.485 0.020 . 1 . . . . . 126 ASP H . 52562 1 958 . 1 . 1 126 126 ASP HA H 1 4.369 0.020 . 1 . . . . . 126 ASP HA . 52562 1 959 . 1 . 1 126 126 ASP C C 13 178.166 0.3 . 1 . . . . . 126 ASP C . 52562 1 960 . 1 . 1 126 126 ASP CA C 13 57.171 0.3 . 1 . . . . . 126 ASP CA . 52562 1 961 . 1 . 1 126 126 ASP CB C 13 40.903 0.3 . 1 . . . . . 126 ASP CB . 52562 1 962 . 1 . 1 126 126 ASP N N 15 122.940 0.3 . 1 . . . . . 126 ASP N . 52562 1 963 . 1 . 1 127 127 ILE H H 1 7.869 0.020 . 1 . . . . . 127 ILE H . 52562 1 964 . 1 . 1 127 127 ILE HA H 1 3.029 0.020 . 1 . . . . . 127 ILE HA . 52562 1 965 . 1 . 1 127 127 ILE HG21 H 1 -0.036 0.020 . 1 . . . . . 127 ILE HG2 . 52562 1 966 . 1 . 1 127 127 ILE HG22 H 1 -0.036 0.020 . 1 . . . . . 127 ILE HG2 . 52562 1 967 . 1 . 1 127 127 ILE HG23 H 1 -0.036 0.020 . 1 . . . . . 127 ILE HG2 . 52562 1 968 . 1 . 1 127 127 ILE HD11 H 1 0.789 0.020 . 1 . . . . . 127 ILE HD1 . 52562 1 969 . 1 . 1 127 127 ILE HD12 H 1 0.789 0.020 . 1 . . . . . 127 ILE HD1 . 52562 1 970 . 1 . 1 127 127 ILE HD13 H 1 0.789 0.020 . 1 . . . . . 127 ILE HD1 . 52562 1 971 . 1 . 1 127 127 ILE C C 13 176.577 0.3 . 1 . . . . . 127 ILE C . 52562 1 972 . 1 . 1 127 127 ILE CA C 13 66.335 0.3 . 1 . . . . . 127 ILE CA . 52562 1 973 . 1 . 1 127 127 ILE CB C 13 36.836 0.3 . 1 . . . . . 127 ILE CB . 52562 1 974 . 1 . 1 127 127 ILE CG2 C 13 18.627 0.3 . 1 . . . . . 127 ILE CG2 . 52562 1 975 . 1 . 1 127 127 ILE CD1 C 13 13.547 0.3 . 1 . . . . . 127 ILE CD1 . 52562 1 976 . 1 . 1 127 127 ILE N N 15 118.721 0.3 . 1 . . . . . 127 ILE N . 52562 1 977 . 1 . 1 128 128 GLU H H 1 7.625 0.020 . 1 . . . . . 128 GLU H . 52562 1 978 . 1 . 1 128 128 GLU C C 13 179.212 0.3 . 1 . . . . . 128 GLU C . 52562 1 979 . 1 . 1 128 128 GLU CA C 13 60.378 0.3 . 1 . . . . . 128 GLU CA . 52562 1 980 . 1 . 1 128 128 GLU CB C 13 29.791 0.3 . 1 . . . . . 128 GLU CB . 52562 1 981 . 1 . 1 128 128 GLU N N 15 118.545 0.3 . 1 . . . . . 128 GLU N . 52562 1 982 . 1 . 1 129 129 ALA H H 1 8.119 0.020 . 1 . . . . . 129 ALA H . 52562 1 983 . 1 . 1 129 129 ALA HA H 1 4.094 0.020 . 1 . . . . . 129 ALA HA . 52562 1 984 . 1 . 1 129 129 ALA HB1 H 1 1.469 0.020 . 1 . . . . . 129 ALA HB . 52562 1 985 . 1 . 1 129 129 ALA HB2 H 1 1.469 0.020 . 1 . . . . . 129 ALA HB . 52562 1 986 . 1 . 1 129 129 ALA HB3 H 1 1.469 0.020 . 1 . . . . . 129 ALA HB . 52562 1 987 . 1 . 1 129 129 ALA C C 13 181.042 0.3 . 1 . . . . . 129 ALA C . 52562 1 988 . 1 . 1 129 129 ALA CA C 13 54.879 0.3 . 1 . . . . . 129 ALA CA . 52562 1 989 . 1 . 1 129 129 ALA CB C 13 17.704 0.3 . 1 . . . . . 129 ALA CB . 52562 1 990 . 1 . 1 129 129 ALA N N 15 122.905 0.3 . 1 . . . . . 129 ALA N . 52562 1 991 . 1 . 1 130 130 LYS H H 1 8.300 0.020 . 1 . . . . . 130 LYS H . 52562 1 992 . 1 . 1 130 130 LYS HA H 1 4.011 0.020 . 1 . . . . . 130 LYS HA . 52562 1 993 . 1 . 1 130 130 LYS C C 13 180.362 0.3 . 1 . . . . . 130 LYS C . 52562 1 994 . 1 . 1 130 130 LYS CA C 13 59.691 0.3 . 1 . . . . . 130 LYS CA . 52562 1 995 . 1 . 1 130 130 LYS CB C 13 32.540 0.3 . 1 . . . . . 130 LYS CB . 52562 1 996 . 1 . 1 130 130 LYS N N 15 122.311 0.3 . 1 . . . . . 130 LYS N . 52562 1 997 . 1 . 1 131 131 PHE H H 1 8.659 0.020 . 1 . . . . . 131 PHE H . 52562 1 998 . 1 . 1 131 131 PHE HA H 1 3.950 0.020 . 1 . . . . . 131 PHE HA . 52562 1 999 . 1 . 1 131 131 PHE C C 13 177.413 0.3 . 1 . . . . . 131 PHE C . 52562 1 1000 . 1 . 1 131 131 PHE CA C 13 57.171 0.3 . 1 . . . . . 131 PHE CA . 52562 1 1001 . 1 . 1 131 131 PHE CB C 13 36.206 0.3 . 1 . . . . . 131 PHE CB . 52562 1 1002 . 1 . 1 131 131 PHE N N 15 120.373 0.3 . 1 . . . . . 131 PHE N . 52562 1 1003 . 1 . 1 132 132 ALA H H 1 7.776 0.020 . 1 . . . . . 132 ALA H . 52562 1 1004 . 1 . 1 132 132 ALA HA H 1 4.046 0.020 . 1 . . . . . 132 ALA HA . 52562 1 1005 . 1 . 1 132 132 ALA HB1 H 1 1.489 0.020 . 1 . . . . . 132 ALA HB . 52562 1 1006 . 1 . 1 132 132 ALA HB2 H 1 1.489 0.020 . 1 . . . . . 132 ALA HB . 52562 1 1007 . 1 . 1 132 132 ALA HB3 H 1 1.489 0.020 . 1 . . . . . 132 ALA HB . 52562 1 1008 . 1 . 1 132 132 ALA C C 13 180.373 0.3 . 1 . . . . . 132 ALA C . 52562 1 1009 . 1 . 1 132 132 ALA CA C 13 55.166 0.3 . 1 . . . . . 132 ALA CA . 52562 1 1010 . 1 . 1 132 132 ALA CB C 13 17.418 0.3 . 1 . . . . . 132 ALA CB . 52562 1 1011 . 1 . 1 132 132 ALA N N 15 121.217 0.3 . 1 . . . . . 132 ALA N . 52562 1 1012 . 1 . 1 133 133 GLU H H 1 7.875 0.020 . 1 . . . . . 133 GLU H . 52562 1 1013 . 1 . 1 133 133 GLU HA H 1 3.950 0.020 . 1 . . . . . 133 GLU HA . 52562 1 1014 . 1 . 1 133 133 GLU C C 13 179.547 0.3 . 1 . . . . . 133 GLU C . 52562 1 1015 . 1 . 1 133 133 GLU CA C 13 58.946 0.3 . 1 . . . . . 133 GLU CA . 52562 1 1016 . 1 . 1 133 133 GLU CB C 13 29.275 0.3 . 1 . . . . . 133 GLU CB . 52562 1 1017 . 1 . 1 133 133 GLU N N 15 119.600 0.3 . 1 . . . . . 133 GLU N . 52562 1 1018 . 1 . 1 134 134 ILE H H 1 7.933 0.020 . 1 . . . . . 134 ILE H . 52562 1 1019 . 1 . 1 134 134 ILE HG12 H 1 2.121 0.020 . 1 . . . . . 134 ILE HG12 . 52562 1 1020 . 1 . 1 134 134 ILE HG13 H 1 2.121 0.020 . 1 . . . . . 134 ILE HG13 . 52562 1 1021 . 1 . 1 134 134 ILE HG21 H 1 1.064 0.020 . 1 . . . . . 134 ILE HG2 . 52562 1 1022 . 1 . 1 134 134 ILE HG22 H 1 1.064 0.020 . 1 . . . . . 134 ILE HG2 . 52562 1 1023 . 1 . 1 134 134 ILE HG23 H 1 1.064 0.020 . 1 . . . . . 134 ILE HG2 . 52562 1 1024 . 1 . 1 134 134 ILE HD11 H 1 1.030 0.020 . 1 . . . . . 134 ILE HD1 . 52562 1 1025 . 1 . 1 134 134 ILE HD12 H 1 1.030 0.020 . 1 . . . . . 134 ILE HD1 . 52562 1 1026 . 1 . 1 134 134 ILE HD13 H 1 1.030 0.020 . 1 . . . . . 134 ILE HD1 . 52562 1 1027 . 1 . 1 134 134 ILE C C 13 179.400 0.3 . 1 . . . . . 134 ILE C . 52562 1 1028 . 1 . 1 134 134 ILE CA C 13 65.247 0.3 . 1 . . . . . 134 ILE CA . 52562 1 1029 . 1 . 1 134 134 ILE CB C 13 37.867 0.3 . 1 . . . . . 134 ILE CB . 52562 1 1030 . 1 . 1 134 134 ILE CG1 C 13 30.526 0.3 . 1 . . . . . 134 ILE CG1 . 52562 1 1031 . 1 . 1 134 134 ILE CG2 C 13 18.360 0.3 . 1 . . . . . 134 ILE CG2 . 52562 1 1032 . 1 . 1 134 134 ILE CD1 C 13 15.218 0.3 . 1 . . . . . 134 ILE CD1 . 52562 1 1033 . 1 . 1 134 134 ILE N N 15 123.362 0.3 . 1 . . . . . 134 ILE N . 52562 1 1034 . 1 . 1 135 135 ASP H H 1 8.706 0.020 . 1 . . . . . 135 ASP H . 52562 1 1035 . 1 . 1 135 135 ASP HA H 1 4.362 0.020 . 1 . . . . . 135 ASP HA . 52562 1 1036 . 1 . 1 135 135 ASP C C 13 178.239 0.3 . 1 . . . . . 135 ASP C . 52562 1 1037 . 1 . 1 135 135 ASP CA C 13 57.056 0.3 . 1 . . . . . 135 ASP CA . 52562 1 1038 . 1 . 1 135 135 ASP CB C 13 39.643 0.3 . 1 . . . . . 135 ASP CB . 52562 1 1039 . 1 . 1 135 135 ASP N N 15 122.624 0.3 . 1 . . . . . 135 ASP N . 52562 1 1040 . 1 . 1 136 136 ARG H H 1 7.660 0.020 . 1 . . . . . 136 ARG H . 52562 1 1041 . 1 . 1 136 136 ARG HA H 1 4.149 0.020 . 1 . . . . . 136 ARG HA . 52562 1 1042 . 1 . 1 136 136 ARG C C 13 176.953 0.3 . 1 . . . . . 136 ARG C . 52562 1 1043 . 1 . 1 136 136 ARG CA C 13 57.743 0.3 . 1 . . . . . 136 ARG CA . 52562 1 1044 . 1 . 1 136 136 ARG CB C 13 30.421 0.3 . 1 . . . . . 136 ARG CB . 52562 1 1045 . 1 . 1 136 136 ARG N N 15 118.193 0.3 . 1 . . . . . 136 ARG N . 52562 1 1046 . 1 . 1 137 137 SER H H 1 7.625 0.020 . 1 . . . . . 137 SER H . 52562 1 1047 . 1 . 1 137 137 SER C C 13 173.911 0.3 . 1 . . . . . 137 SER C . 52562 1 1048 . 1 . 1 137 137 SER CA C 13 58.832 0.3 . 1 . . . . . 137 SER CA . 52562 1 1049 . 1 . 1 137 137 SER CB C 13 63.930 0.3 . 1 . . . . . 137 SER CB . 52562 1 1050 . 1 . 1 137 137 SER N N 15 115.134 0.3 . 1 . . . . . 137 SER N . 52562 1 1051 . 1 . 1 138 138 ARG H H 1 7.648 0.020 . 1 . . . . . 138 ARG H . 52562 1 1052 . 1 . 1 138 138 ARG C C 13 174.057 0.3 . 1 . . . . . 138 ARG C . 52562 1 1053 . 1 . 1 138 138 ARG CA C 13 54.478 0.3 . 1 . . . . . 138 ARG CA . 52562 1 1054 . 1 . 1 138 138 ARG CB C 13 29.905 0.3 . 1 . . . . . 138 ARG CB . 52562 1 1055 . 1 . 1 138 138 ARG N N 15 124.417 0.3 . 1 . . . . . 138 ARG N . 52562 1 1056 . 1 . 1 140 140 GLN H H 1 8.345 0.020 . 1 . . . . . 140 GLN H . 52562 1 1057 . 1 . 1 140 140 GLN HA H 1 4.197 0.020 . 1 . . . . . 140 GLN HA . 52562 1 1058 . 1 . 1 140 140 GLN C C 13 174.684 0.3 . 1 . . . . . 140 GLN C . 52562 1 1059 . 1 . 1 140 140 GLN CB C 13 29.390 0.3 . 1 . . . . . 140 GLN CB . 52562 1 1060 . 1 . 1 140 140 GLN N N 15 121.956 0.3 . 1 . . . . . 140 GLN N . 52562 1 1061 . 1 . 1 141 141 ALA H H 1 7.851 0.020 . 1 . . . . . 141 ALA H . 52562 1 1062 . 1 . 1 141 141 ALA C C 13 182.307 0.3 . 1 . . . . . 141 ALA C . 52562 1 1063 . 1 . 1 141 141 ALA CA C 13 53.676 0.3 . 1 . . . . . 141 ALA CA . 52562 1 1064 . 1 . 1 141 141 ALA CB C 13 19.824 0.3 . 1 . . . . . 141 ALA CB . 52562 1 1065 . 1 . 1 141 141 ALA N N 15 131.766 0.3 . 1 . . . . . 141 ALA N . 52562 1 stop_ save_