data_51550 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51550 _Entry.Title ; MITF81-204 NMR assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-09 _Entry.Accession_date 2022-08-09 _Entry.Last_release_date 2022-08-09 _Entry.Original_release_date 2022-08-09 _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 David Langelaan . N. . . 51550 2 Alexandra Brown . D. . . 51550 3 Makenzie Branch . . . . 51550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 51550 '15N chemical shifts' 114 51550 '1H chemical shifts' 114 51550 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 2 . . 2023-07-28 2022-08-09 update BMRB 'update entry citation' 51550 1 . . 2023-06-29 2022-08-09 original author 'original release' 51550 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51550 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37353163 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of CBP/p300 recruitment by the microphthalmia-associated transcription factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Mol. Cell Res.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Molecular cell research' _Citation.Journal_volume 1870 _Citation.Journal_issue 7 _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 119520 _Citation.Page_last 119520 _Citation.Year 2023 _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 Alexandra Brown . D. . . 51550 1 2 Kathleen Vergunst . L. . . 51550 1 3 Makenzie Branch . . . . 51550 1 4 Connor Blair . M. . . 51550 1 5 Denis Dupre . J. . . 51550 1 6 George Ballie . S. . . 51550 1 7 David Langelaan . N. . . 51550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51550 _Assembly.ID 1 _Assembly.Name 'MITF 81-204' _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 MITF 1 $entity_1 . . yes native no no . . . 51550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51550 _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 ; GSNSNCENSNCEKEGFYKFE EQNRAESECPGMNTHSRASC MQMDDVIDDIISLESSYNEE ILGLMDPALQMANTLPVSGN LIDLYGNQGLPPPGLTISNS CPANLPNIKRELTACIFPTE SEARALAKERQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 131 _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 -4 GLY . 51550 1 2 -3 SER . 51550 1 3 -2 ASN . 51550 1 4 -1 SER . 51550 1 5 0 ASN . 51550 1 6 1 CYS . 51550 1 7 2 GLU . 51550 1 8 3 ASN . 51550 1 9 4 SER . 51550 1 10 5 ASN . 51550 1 11 6 CYS . 51550 1 12 7 GLU . 51550 1 13 8 LYS . 51550 1 14 9 GLU . 51550 1 15 10 GLY . 51550 1 16 11 PHE . 51550 1 17 12 TYR . 51550 1 18 13 LYS . 51550 1 19 14 PHE . 51550 1 20 15 GLU . 51550 1 21 16 GLU . 51550 1 22 17 GLN . 51550 1 23 18 ASN . 51550 1 24 19 ARG . 51550 1 25 20 ALA . 51550 1 26 21 GLU . 51550 1 27 22 SER . 51550 1 28 23 GLU . 51550 1 29 24 CYS . 51550 1 30 25 PRO . 51550 1 31 26 GLY . 51550 1 32 27 MET . 51550 1 33 28 ASN . 51550 1 34 29 THR . 51550 1 35 30 HIS . 51550 1 36 31 SER . 51550 1 37 32 ARG . 51550 1 38 33 ALA . 51550 1 39 34 SER . 51550 1 40 35 CYS . 51550 1 41 36 MET . 51550 1 42 37 GLN . 51550 1 43 38 MET . 51550 1 44 39 ASP . 51550 1 45 40 ASP . 51550 1 46 41 VAL . 51550 1 47 42 ILE . 51550 1 48 43 ASP . 51550 1 49 44 ASP . 51550 1 50 45 ILE . 51550 1 51 46 ILE . 51550 1 52 47 SER . 51550 1 53 48 LEU . 51550 1 54 49 GLU . 51550 1 55 50 SER . 51550 1 56 51 SER . 51550 1 57 52 TYR . 51550 1 58 53 ASN . 51550 1 59 54 GLU . 51550 1 60 55 GLU . 51550 1 61 56 ILE . 51550 1 62 57 LEU . 51550 1 63 58 GLY . 51550 1 64 59 LEU . 51550 1 65 60 MET . 51550 1 66 61 ASP . 51550 1 67 62 PRO . 51550 1 68 63 ALA . 51550 1 69 64 LEU . 51550 1 70 65 GLN . 51550 1 71 66 MET . 51550 1 72 67 ALA . 51550 1 73 68 ASN . 51550 1 74 69 THR . 51550 1 75 70 LEU . 51550 1 76 71 PRO . 51550 1 77 72 VAL . 51550 1 78 73 SER . 51550 1 79 74 GLY . 51550 1 80 75 ASN . 51550 1 81 76 LEU . 51550 1 82 77 ILE . 51550 1 83 78 ASP . 51550 1 84 79 LEU . 51550 1 85 80 TYR . 51550 1 86 81 GLY . 51550 1 87 82 ASN . 51550 1 88 83 GLN . 51550 1 89 84 GLY . 51550 1 90 85 LEU . 51550 1 91 86 PRO . 51550 1 92 87 PRO . 51550 1 93 88 PRO . 51550 1 94 89 GLY . 51550 1 95 90 LEU . 51550 1 96 91 THR . 51550 1 97 92 ILE . 51550 1 98 93 SER . 51550 1 99 94 ASN . 51550 1 100 95 SER . 51550 1 101 96 CYS . 51550 1 102 97 PRO . 51550 1 103 98 ALA . 51550 1 104 99 ASN . 51550 1 105 100 LEU . 51550 1 106 101 PRO . 51550 1 107 102 ASN . 51550 1 108 103 ILE . 51550 1 109 104 LYS . 51550 1 110 105 ARG . 51550 1 111 106 GLU . 51550 1 112 107 LEU . 51550 1 113 108 THR . 51550 1 114 109 ALA . 51550 1 115 110 CYS . 51550 1 116 111 ILE . 51550 1 117 112 PHE . 51550 1 118 113 PRO . 51550 1 119 114 THR . 51550 1 120 115 GLU . 51550 1 121 116 SER . 51550 1 122 117 GLU . 51550 1 123 118 ALA . 51550 1 124 119 ARG . 51550 1 125 120 ALA . 51550 1 126 121 LEU . 51550 1 127 122 ALA . 51550 1 128 123 LYS . 51550 1 129 124 GLU . 51550 1 130 125 ARG . 51550 1 131 126 GLN . 51550 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 51550 1 . SER 2 2 51550 1 . ASN 3 3 51550 1 . SER 4 4 51550 1 . ASN 5 5 51550 1 . CYS 6 6 51550 1 . GLU 7 7 51550 1 . ASN 8 8 51550 1 . SER 9 9 51550 1 . ASN 10 10 51550 1 . CYS 11 11 51550 1 . GLU 12 12 51550 1 . LYS 13 13 51550 1 . GLU 14 14 51550 1 . GLY 15 15 51550 1 . PHE 16 16 51550 1 . TYR 17 17 51550 1 . LYS 18 18 51550 1 . PHE 19 19 51550 1 . GLU 20 20 51550 1 . GLU 21 21 51550 1 . GLN 22 22 51550 1 . ASN 23 23 51550 1 . ARG 24 24 51550 1 . ALA 25 25 51550 1 . GLU 26 26 51550 1 . SER 27 27 51550 1 . GLU 28 28 51550 1 . CYS 29 29 51550 1 . PRO 30 30 51550 1 . GLY 31 31 51550 1 . MET 32 32 51550 1 . ASN 33 33 51550 1 . THR 34 34 51550 1 . HIS 35 35 51550 1 . SER 36 36 51550 1 . ARG 37 37 51550 1 . ALA 38 38 51550 1 . SER 39 39 51550 1 . CYS 40 40 51550 1 . MET 41 41 51550 1 . GLN 42 42 51550 1 . MET 43 43 51550 1 . ASP 44 44 51550 1 . ASP 45 45 51550 1 . VAL 46 46 51550 1 . ILE 47 47 51550 1 . ASP 48 48 51550 1 . ASP 49 49 51550 1 . ILE 50 50 51550 1 . ILE 51 51 51550 1 . SER 52 52 51550 1 . LEU 53 53 51550 1 . GLU 54 54 51550 1 . SER 55 55 51550 1 . SER 56 56 51550 1 . TYR 57 57 51550 1 . ASN 58 58 51550 1 . GLU 59 59 51550 1 . GLU 60 60 51550 1 . ILE 61 61 51550 1 . LEU 62 62 51550 1 . GLY 63 63 51550 1 . LEU 64 64 51550 1 . MET 65 65 51550 1 . ASP 66 66 51550 1 . PRO 67 67 51550 1 . ALA 68 68 51550 1 . LEU 69 69 51550 1 . GLN 70 70 51550 1 . MET 71 71 51550 1 . ALA 72 72 51550 1 . ASN 73 73 51550 1 . THR 74 74 51550 1 . LEU 75 75 51550 1 . PRO 76 76 51550 1 . VAL 77 77 51550 1 . SER 78 78 51550 1 . GLY 79 79 51550 1 . ASN 80 80 51550 1 . LEU 81 81 51550 1 . ILE 82 82 51550 1 . ASP 83 83 51550 1 . LEU 84 84 51550 1 . TYR 85 85 51550 1 . GLY 86 86 51550 1 . ASN 87 87 51550 1 . GLN 88 88 51550 1 . GLY 89 89 51550 1 . LEU 90 90 51550 1 . PRO 91 91 51550 1 . PRO 92 92 51550 1 . PRO 93 93 51550 1 . GLY 94 94 51550 1 . LEU 95 95 51550 1 . THR 96 96 51550 1 . ILE 97 97 51550 1 . SER 98 98 51550 1 . ASN 99 99 51550 1 . SER 100 100 51550 1 . CYS 101 101 51550 1 . PRO 102 102 51550 1 . ALA 103 103 51550 1 . ASN 104 104 51550 1 . LEU 105 105 51550 1 . PRO 106 106 51550 1 . ASN 107 107 51550 1 . ILE 108 108 51550 1 . LYS 109 109 51550 1 . ARG 110 110 51550 1 . GLU 111 111 51550 1 . LEU 112 112 51550 1 . THR 113 113 51550 1 . ALA 114 114 51550 1 . CYS 115 115 51550 1 . ILE 116 116 51550 1 . PHE 117 117 51550 1 . PRO 118 118 51550 1 . THR 119 119 51550 1 . GLU 120 120 51550 1 . SER 121 121 51550 1 . GLU 122 122 51550 1 . ALA 123 123 51550 1 . ARG 124 124 51550 1 . ALA 125 125 51550 1 . LEU 126 126 51550 1 . ALA 127 127 51550 1 . LYS 128 128 51550 1 . GLU 129 129 51550 1 . ARG 130 130 51550 1 . GLN 131 131 51550 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 51550 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli Bl21 . . . . . . . . . . . . 51550 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 51550 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pET21b . . . 51550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51550 _Sample.ID 1 _Sample.Name MITF81-204 _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 'MITF 81-204' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51550 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 51550 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51550 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51550 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 51550 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 51550 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MITF assignment 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 pH 6 . pH 51550 1 pressure 1 . atm 51550 1 temperature 298.15 . K 51550 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51550 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51550 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 51550 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Queens University Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 51550 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51550 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51550 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51550 1 4 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51550 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51550 1 6 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51550 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 51550 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Standard chemical shift referencing' _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 0.00 na indirect 0.251449530 . . . . . 51550 1 H 1 water protons . . . . ppm 4.78 internal direct 1.000000000 . . . . . 51550 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51550 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 51550 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MITF81-204 NMR assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51550 1 2 '3D HNCACB' . . . 51550 1 3 '3D CBCACONH' . . . 51550 1 4 '3D H(CCO)NH' . . . 51550 1 5 '3D HNCO' . . . 51550 1 6 '3D HNCACO' . . . 51550 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 . . 51550 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 8 8 ASN C C 13 175.342 0.004 . 1 . . 469 . . 3 ASN C . 51550 1 2 . 1 . 1 8 8 ASN CA C 13 53.340 0.008 . 1 . . 466 . . 3 ASN CA . 51550 1 3 . 1 . 1 8 8 ASN CB C 13 38.876 0.018 . 1 . . 467 . . 3 ASN CB . 51550 1 4 . 1 . 1 9 9 SER H H 1 8.324 0.001 . 1 . . 87 . . 4 SER H . 51550 1 5 . 1 . 1 9 9 SER C C 13 174.401 0.006 . 1 . . 468 . . 4 SER C . 51550 1 6 . 1 . 1 9 9 SER CA C 13 58.661 0.013 . 1 . . 464 . . 4 SER CA . 51550 1 7 . 1 . 1 9 9 SER CB C 13 63.713 0.017 . 1 . . 465 . . 4 SER CB . 51550 1 8 . 1 . 1 9 9 SER N N 15 116.154 0.006 . 1 . . 88 . . 4 SER N . 51550 1 9 . 1 . 1 10 10 ASN H H 1 8.532 0.001 . 1 . . 147 . . 5 ASN H . 51550 1 10 . 1 . 1 10 10 ASN C C 13 175.233 0.001 . 1 . . 470 . . 5 ASN C . 51550 1 11 . 1 . 1 10 10 ASN CA C 13 53.648 0.042 . 1 . . 471 . . 5 ASN CA . 51550 1 12 . 1 . 1 10 10 ASN CB C 13 38.727 0.01 . 1 . . 472 . . 5 ASN CB . 51550 1 13 . 1 . 1 10 10 ASN N N 15 120.651 0.004 . 1 . . 148 . . 5 ASN N . 51550 1 14 . 1 . 1 11 11 CYS H H 1 8.248 0.002 . 1 . . 444 . . 6 CYS H . 51550 1 15 . 1 . 1 11 11 CYS C C 13 174.651 0.0 . 1 . . 473 . . 6 CYS C . 51550 1 16 . 1 . 1 11 11 CYS CA C 13 58.613 0.034 . 1 . . 474 . . 6 CYS CA . 51550 1 17 . 1 . 1 11 11 CYS CB C 13 28.016 0.024 . 1 . . 475 . . 6 CYS CB . 51550 1 18 . 1 . 1 11 11 CYS N N 15 118.808 0.038 . 1 . . 445 . . 6 CYS N . 51550 1 19 . 1 . 1 12 12 GLU H H 1 8.451 0.001 . 1 . . 183 . . 7 GLU H . 51550 1 20 . 1 . 1 12 12 GLU C C 13 176.600 0.004 . 1 . . 478 . . 7 GLU C . 51550 1 21 . 1 . 1 12 12 GLU CA C 13 56.990 0.025 . 1 . . 477 . . 7 GLU CA . 51550 1 22 . 1 . 1 12 12 GLU CB C 13 29.992 0.004 . 1 . . 476 . . 7 GLU CB . 51550 1 23 . 1 . 1 12 12 GLU N N 15 122.905 0.014 . 1 . . 184 . . 7 GLU N . 51550 1 24 . 1 . 1 13 13 LYS H H 1 8.237 0.0 . 1 . . 65 . . 8 LYS H . 51550 1 25 . 1 . 1 13 13 LYS C C 13 176.527 0.007 . 1 . . 554 . . 8 LYS C . 51550 1 26 . 1 . 1 13 13 LYS CA C 13 56.435 0.019 . 1 . . 555 . . 8 LYS CA . 51550 1 27 . 1 . 1 13 13 LYS CB C 13 33.102 0.033 . 1 . . 556 . . 8 LYS CB . 51550 1 28 . 1 . 1 13 13 LYS N N 15 121.463 0.014 . 1 . . 66 . . 8 LYS N . 51550 1 29 . 1 . 1 14 14 GLU H H 1 8.379 0.001 . 1 . . 49 . . 9 GLU H . 51550 1 30 . 1 . 1 14 14 GLU C C 13 176.980 0.001 . 1 . . 231 . . 9 GLU C . 51550 1 31 . 1 . 1 14 14 GLU CA C 13 56.995 0.041 . 1 . . 228 . . 9 GLU CA . 51550 1 32 . 1 . 1 14 14 GLU CB C 13 30.176 0.013 . 1 . . 229 . . 9 GLU CB . 51550 1 33 . 1 . 1 14 14 GLU N N 15 121.606 0.01 . 1 . . 50 . . 9 GLU N . 51550 1 34 . 1 . 1 15 15 GLY H H 1 8.376 0.0 . 1 . . 45 . . 10 GLY H . 51550 1 35 . 1 . 1 15 15 GLY C C 13 173.858 0.001 . 1 . . 230 . . 10 GLY C . 51550 1 36 . 1 . 1 15 15 GLY CA C 13 45.410 0.013 . 1 . . 227 . . 10 GLY CA . 51550 1 37 . 1 . 1 15 15 GLY N N 15 109.745 0.003 . 1 . . 46 . . 10 GLY N . 51550 1 38 . 1 . 1 16 16 PHE H H 1 7.968 0.0 . 1 . . 57 . . 11 PHE H . 51550 1 39 . 1 . 1 16 16 PHE C C 13 175.425 0.002 . 1 . . 245 . . 11 PHE C . 51550 1 40 . 1 . 1 16 16 PHE CA C 13 58.067 0.012 . 1 . . 247 . . 11 PHE CA . 51550 1 41 . 1 . 1 16 16 PHE CB C 13 39.672 0.006 . 1 . . 246 . . 11 PHE CB . 51550 1 42 . 1 . 1 16 16 PHE N N 15 119.992 0.004 . 1 . . 58 . . 11 PHE N . 51550 1 43 . 1 . 1 17 17 TYR H H 1 8.058 0.0 . 1 . . 37 . . 12 TYR H . 51550 1 44 . 1 . 1 17 17 TYR C C 13 175.277 0.005 . 1 . . 248 . . 12 TYR C . 51550 1 45 . 1 . 1 17 17 TYR CA C 13 57.896 0.051 . 1 . . 250 . . 12 TYR CA . 51550 1 46 . 1 . 1 17 17 TYR CB C 13 38.911 0.033 . 1 . . 249 . . 12 TYR CB . 51550 1 47 . 1 . 1 17 17 TYR N N 15 121.372 0.003 . 1 . . 38 . . 12 TYR N . 51550 1 48 . 1 . 1 18 18 LYS H H 1 7.983 0.0 . 1 . . 35 . . 13 LYS H . 51550 1 49 . 1 . 1 18 18 LYS C C 13 175.887 0.003 . 1 . . 251 . . 13 LYS C . 51550 1 50 . 1 . 1 18 18 LYS CA C 13 56.183 0.014 . 1 . . 253 . . 13 LYS CA . 51550 1 51 . 1 . 1 18 18 LYS CB C 13 33.087 0.023 . 1 . . 252 . . 13 LYS CB . 51550 1 52 . 1 . 1 18 18 LYS N N 15 123.141 0.006 . 1 . . 36 . . 13 LYS N . 51550 1 53 . 1 . 1 19 19 PHE H H 1 8.140 0.0 . 1 . . 113 . . 14 PHE H . 51550 1 54 . 1 . 1 19 19 PHE C C 13 175.886 0.002 . 1 . . 256 . . 14 PHE C . 51550 1 55 . 1 . 1 19 19 PHE CA C 13 58.266 0.023 . 1 . . 255 . . 14 PHE CA . 51550 1 56 . 1 . 1 19 19 PHE CB C 13 39.437 0.042 . 1 . . 254 . . 14 PHE CB . 51550 1 57 . 1 . 1 19 19 PHE N N 15 121.819 0.008 . 1 . . 114 . . 14 PHE N . 51550 1 58 . 1 . 1 20 20 GLU H H 1 8.363 0.0 . 1 . . 155 . . 15 GLU H . 51550 1 59 . 1 . 1 20 20 GLU C C 13 176.376 0.002 . 1 . . 259 . . 15 GLU C . 51550 1 60 . 1 . 1 20 20 GLU CA C 13 56.744 0.017 . 1 . . 258 . . 15 GLU CA . 51550 1 61 . 1 . 1 20 20 GLU CB C 13 30.316 0.031 . 1 . . 257 . . 15 GLU CB . 51550 1 62 . 1 . 1 20 20 GLU N N 15 122.211 0.009 . 1 . . 156 . . 15 GLU N . 51550 1 63 . 1 . 1 21 21 GLU H H 1 8.308 0.001 . 1 . . 13 . . 16 GLU H . 51550 1 64 . 1 . 1 21 21 GLU C C 13 176.756 0.003 . 1 . . 260 . . 16 GLU C . 51550 1 65 . 1 . 1 21 21 GLU CA C 13 56.967 0.06 . 1 . . 262 . . 16 GLU CA . 51550 1 66 . 1 . 1 21 21 GLU CB C 13 30.189 0.026 . 1 . . 261 . . 16 GLU CB . 51550 1 67 . 1 . 1 21 21 GLU N N 15 121.564 0.012 . 1 . . 14 . . 16 GLU N . 51550 1 68 . 1 . 1 22 22 GLN H H 1 8.329 0.001 . 1 . . 123 . . 17 GLN H . 51550 1 69 . 1 . 1 22 22 GLN C C 13 175.882 0.002 . 1 . . 263 . . 17 GLN C . 51550 1 70 . 1 . 1 22 22 GLN CA C 13 56.216 0.051 . 1 . . 264 . . 17 GLN CA . 51550 1 71 . 1 . 1 22 22 GLN CB C 13 29.357 0.032 . 1 . . 265 . . 17 GLN CB . 51550 1 72 . 1 . 1 22 22 GLN N N 15 120.598 0.031 . 1 . . 124 . . 17 GLN N . 51550 1 73 . 1 . 1 23 23 ASN H H 1 8.419 0.001 . 1 . . 135 . . 18 ASN H . 51550 1 74 . 1 . 1 23 23 ASN C C 13 175.248 0.003 . 1 . . 266 . . 18 ASN C . 51550 1 75 . 1 . 1 23 23 ASN CA C 13 53.508 0.021 . 1 . . 267 . . 18 ASN CA . 51550 1 76 . 1 . 1 23 23 ASN CB C 13 38.769 0.005 . 1 . . 268 . . 18 ASN CB . 51550 1 77 . 1 . 1 23 23 ASN N N 15 119.461 0.003 . 1 . . 136 . . 18 ASN N . 51550 1 78 . 1 . 1 24 24 ARG H H 1 8.224 0.0 . 1 . . 121 . . 19 ARG H . 51550 1 79 . 1 . 1 24 24 ARG C C 13 176.182 0.003 . 1 . . 269 . . 19 ARG C . 51550 1 80 . 1 . 1 24 24 ARG CA C 13 56.413 0.048 . 1 . . 270 . . 19 ARG CA . 51550 1 81 . 1 . 1 24 24 ARG CB C 13 30.785 0.027 . 1 . . 271 . . 19 ARG CB . 51550 1 82 . 1 . 1 24 24 ARG N N 15 121.811 0.043 . 1 . . 122 . . 19 ARG N . 51550 1 83 . 1 . 1 25 25 ALA H H 1 8.347 0.001 . 1 . . 197 . . 20 ALA H . 51550 1 84 . 1 . 1 25 25 ALA C C 13 178.103 0.0 . 1 . . 272 . . 20 ALA C . 51550 1 85 . 1 . 1 25 25 ALA CA C 13 52.885 0.013 . 1 . . 273 . . 20 ALA CA . 51550 1 86 . 1 . 1 25 25 ALA CB C 13 19.169 0.048 . 1 . . 274 . . 20 ALA CB . 51550 1 87 . 1 . 1 25 25 ALA N N 15 125.010 0.031 . 1 . . 198 . . 20 ALA N . 51550 1 88 . 1 . 1 26 26 GLU H H 1 8.389 0.0 . 1 . . 27 . . 21 GLU H . 51550 1 89 . 1 . 1 26 26 GLU C C 13 176.744 0.001 . 1 . . 277 . . 21 GLU C . 51550 1 90 . 1 . 1 26 26 GLU CA C 13 56.976 0.036 . 1 . . 276 . . 21 GLU CA . 51550 1 91 . 1 . 1 26 26 GLU CB C 13 30.129 0.034 . 1 . . 275 . . 21 GLU CB . 51550 1 92 . 1 . 1 26 26 GLU N N 15 119.805 0.004 . 1 . . 28 . . 21 GLU N . 51550 1 93 . 1 . 1 27 27 SER H H 1 8.179 0.0 . 1 . . 119 . . 22 SER H . 51550 1 94 . 1 . 1 27 27 SER C C 13 174.464 0.005 . 1 . . 280 . . 22 SER C . 51550 1 95 . 1 . 1 27 27 SER CA C 13 58.587 . . 1 . . 278 . . 22 SER CA . 51550 1 96 . 1 . 1 27 27 SER CB C 13 63.862 . . 1 . . 279 . . 22 SER CB . 51550 1 97 . 1 . 1 27 27 SER N N 15 115.539 0.002 . 1 . . 120 . . 22 SER N . 51550 1 98 . 1 . 1 28 28 GLU H H 1 8.313 0.001 . 1 . . 565 . . 23 GLU H . 51550 1 99 . 1 . 1 28 28 GLU C C 13 176.056 0.004 . 1 . . 573 . . 23 GLU C . 51550 1 100 . 1 . 1 28 28 GLU CA C 13 56.636 0.03 . 1 . . 575 . . 23 GLU CA . 51550 1 101 . 1 . 1 28 28 GLU CB C 13 30.259 0.027 . 1 . . 577 . . 23 GLU CB . 51550 1 102 . 1 . 1 28 28 GLU N N 15 122.212 0.044 . 1 . . 566 . . 23 GLU N . 51550 1 103 . 1 . 1 29 29 CYS H H 1 8.327 0.001 . 1 . . 557 . . 24 CYS H . 51550 1 104 . 1 . 1 29 29 CYS C C 13 172.653 . . 1 . . 574 . . 24 CYS C . 51550 1 105 . 1 . 1 29 29 CYS CA C 13 56.629 . . 1 . . 576 . . 24 CYS CA . 51550 1 106 . 1 . 1 29 29 CYS CB C 13 27.646 . . 1 . . 572 . . 24 CYS CB . 51550 1 107 . 1 . 1 29 29 CYS N N 15 121.444 0.004 . 1 . . 558 . . 24 CYS N . 51550 1 108 . 1 . 1 30 30 PRO C C 13 177.595 0.001 . 1 . . 237 . . 25 PRO C . 51550 1 109 . 1 . 1 30 30 PRO CA C 13 63.772 0.029 . 1 . . 238 . . 25 PRO CA . 51550 1 110 . 1 . 1 30 30 PRO CB C 13 32.064 0.009 . 1 . . 239 . . 25 PRO CB . 51550 1 111 . 1 . 1 31 31 GLY H H 1 8.521 0.0 . 1 . . 195 . . 26 GLY H . 51550 1 112 . 1 . 1 31 31 GLY C C 13 174.365 0.003 . 1 . . 236 . . 26 GLY C . 51550 1 113 . 1 . 1 31 31 GLY CA C 13 45.423 0.012 . 1 . . 233 . . 26 GLY CA . 51550 1 114 . 1 . 1 31 31 GLY N N 15 109.293 0.002 . 1 . . 196 . . 26 GLY N . 51550 1 115 . 1 . 1 32 32 MET H H 1 8.101 0.001 . 1 . . 165 . . 27 MET H . 51550 1 116 . 1 . 1 32 32 MET C C 13 176.060 0.004 . 1 . . 235 . . 27 MET C . 51550 1 117 . 1 . 1 32 32 MET CA C 13 55.724 0.002 . 1 . . 232 . . 27 MET CA . 51550 1 118 . 1 . 1 32 32 MET CB C 13 32.973 0.085 . 1 . . 234 . . 27 MET CB . 51550 1 119 . 1 . 1 32 32 MET N N 15 119.568 0.022 . 1 . . 166 . . 27 MET N . 51550 1 120 . 1 . 1 33 33 ASN H H 1 8.525 0.0 . 1 . . 137 . . 28 ASN H . 51550 1 121 . 1 . 1 33 33 ASN C C 13 175.520 0.006 . 1 . . 281 . . 28 ASN C . 51550 1 122 . 1 . 1 33 33 ASN CA C 13 53.313 0.02 . 1 . . 282 . . 28 ASN CA . 51550 1 123 . 1 . 1 33 33 ASN CB C 13 38.708 0.015 . 1 . . 283 . . 28 ASN CB . 51550 1 124 . 1 . 1 33 33 ASN N N 15 119.620 0.003 . 1 . . 138 . . 28 ASN N . 51550 1 125 . 1 . 1 34 34 THR H H 1 8.097 0.001 . 1 . . 149 . . 29 THR H . 51550 1 126 . 1 . 1 34 34 THR C C 13 174.662 0.001 . 1 . . 284 . . 29 THR C . 51550 1 127 . 1 . 1 34 34 THR CA C 13 62.220 0.044 . 1 . . 285 . . 29 THR CA . 51550 1 128 . 1 . 1 34 34 THR CB C 13 69.495 0.016 . 1 . . 286 . . 29 THR CB . 51550 1 129 . 1 . 1 34 34 THR N N 15 113.938 0.005 . 1 . . 150 . . 29 THR N . 51550 1 130 . 1 . 1 35 35 HIS H H 1 8.465 0.001 . 1 . . 287 . . 30 HIS H . 51550 1 131 . 1 . 1 35 35 HIS C C 13 174.739 0.014 . 1 . . 291 . . 30 HIS C . 51550 1 132 . 1 . 1 35 35 HIS CA C 13 55.693 0.026 . 1 . . 289 . . 30 HIS CA . 51550 1 133 . 1 . 1 35 35 HIS CB C 13 29.265 0.014 . 1 . . 290 . . 30 HIS CB . 51550 1 134 . 1 . 1 35 35 HIS N N 15 120.286 0.005 . 1 . . 288 . . 30 HIS N . 51550 1 135 . 1 . 1 36 36 SER H H 1 8.293 0.002 . 1 . . 69 . . 31 SER H . 51550 1 136 . 1 . 1 36 36 SER C C 13 174.611 0.017 . 1 . . 294 . . 31 SER C . 51550 1 137 . 1 . 1 36 36 SER CA C 13 58.457 0.014 . 1 . . 292 . . 31 SER CA . 51550 1 138 . 1 . 1 36 36 SER CB C 13 63.811 0.039 . 1 . . 293 . . 31 SER CB . 51550 1 139 . 1 . 1 36 36 SER N N 15 116.778 0.04 . 1 . . 70 . . 31 SER N . 51550 1 140 . 1 . 1 37 37 ARG H H 1 8.462 0.0 . 1 . . 143 . . 32 ARG H . 51550 1 141 . 1 . 1 37 37 ARG C C 13 176.196 . . 1 . . 297 . . 32 ARG C . 51550 1 142 . 1 . 1 37 37 ARG CA C 13 56.290 . . 1 . . 296 . . 32 ARG CA . 51550 1 143 . 1 . 1 37 37 ARG CB C 13 30.804 . . 1 . . 295 . . 32 ARG CB . 51550 1 144 . 1 . 1 37 37 ARG N N 15 123.182 0.021 . 1 . . 144 . . 32 ARG N . 51550 1 145 . 1 . 1 38 38 ALA H H 1 8.336 0.0 . 1 . . 47 . . 33 ALA H . 51550 1 146 . 1 . 1 38 38 ALA C C 13 177.969 0.005 . 1 . . 460 . . 33 ALA C . 51550 1 147 . 1 . 1 38 38 ALA CA C 13 52.874 . . 1 . . 457 . . 33 ALA CA . 51550 1 148 . 1 . 1 38 38 ALA CB C 13 19.265 0.023 . 1 . . 458 . . 33 ALA CB . 51550 1 149 . 1 . 1 38 38 ALA N N 15 124.855 0.001 . 1 . . 48 . . 33 ALA N . 51550 1 150 . 1 . 1 39 39 SER H H 1 8.271 0.001 . 1 . . 129 . . 34 SER H . 51550 1 151 . 1 . 1 39 39 SER C C 13 174.641 0.014 . 1 . . 459 . . 34 SER C . 51550 1 152 . 1 . 1 39 39 SER CA C 13 58.598 0.0 . 1 . . 455 . . 34 SER CA . 51550 1 153 . 1 . 1 39 39 SER CB C 13 63.737 0.012 . 1 . . 456 . . 34 SER CB . 51550 1 154 . 1 . 1 39 39 SER N N 15 114.651 0.008 . 1 . . 130 . . 34 SER N . 51550 1 155 . 1 . 1 40 40 CYS H H 1 8.279 0.001 . 1 . . 145 . . 35 CYS H . 51550 1 156 . 1 . 1 40 40 CYS C C 13 174.430 0.012 . 1 . . 461 . . 35 CYS C . 51550 1 157 . 1 . 1 40 40 CYS CA C 13 58.546 . . 1 . . 463 . . 35 CYS CA . 51550 1 158 . 1 . 1 40 40 CYS CB C 13 28.056 0.004 . 1 . . 462 . . 35 CYS CB . 51550 1 159 . 1 . 1 40 40 CYS N N 15 120.171 0.005 . 1 . . 146 . . 35 CYS N . 51550 1 160 . 1 . 1 41 41 MET H H 1 8.339 0.001 . 1 . . 163 . . 36 MET H . 51550 1 161 . 1 . 1 41 41 MET C C 13 175.836 0.002 . 1 . . 569 . . 36 MET C . 51550 1 162 . 1 . 1 41 41 MET CA C 13 55.799 0.013 . 1 . . 568 . . 36 MET CA . 51550 1 163 . 1 . 1 41 41 MET CB C 13 32.880 0.073 . 1 . . 567 . . 36 MET CB . 51550 1 164 . 1 . 1 41 41 MET N N 15 122.017 0.017 . 1 . . 164 . . 36 MET N . 51550 1 165 . 1 . 1 42 42 GLN H H 1 8.353 0.002 . 1 . . 570 . . 37 GLN H . 51550 1 166 . 1 . 1 42 42 GLN C C 13 175.760 0.013 . 1 . . 563 . . 37 GLN C . 51550 1 167 . 1 . 1 42 42 GLN CA C 13 55.906 . . 1 . . 562 . . 37 GLN CA . 51550 1 168 . 1 . 1 42 42 GLN CB C 13 29.376 0.045 . 1 . . 560 . . 37 GLN CB . 51550 1 169 . 1 . 1 42 42 GLN N N 15 121.408 0.01 . 1 . . 571 . . 37 GLN N . 51550 1 170 . 1 . 1 43 43 MET H H 1 8.428 0.001 . 1 . . 141 . . 38 MET H . 51550 1 171 . 1 . 1 43 43 MET C C 13 175.857 0.012 . 1 . . 564 . . 38 MET C . 51550 1 172 . 1 . 1 43 43 MET CA C 13 55.578 0.009 . 1 . . 561 . . 38 MET CA . 51550 1 173 . 1 . 1 43 43 MET CB C 13 33.075 . . 1 . . 559 . . 38 MET CB . 51550 1 174 . 1 . 1 43 43 MET N N 15 121.853 0.003 . 1 . . 142 . . 38 MET N . 51550 1 175 . 1 . 1 44 44 ASP H H 1 8.345 0.003 . 1 . . 351 . . 39 ASP H . 51550 1 176 . 1 . 1 44 44 ASP C C 13 175.784 . . 1 . . 553 . . 39 ASP C . 51550 1 177 . 1 . 1 44 44 ASP CA C 13 54.577 0.038 . 1 . . 551 . . 39 ASP CA . 51550 1 178 . 1 . 1 44 44 ASP CB C 13 41.158 0.028 . 1 . . 550 . . 39 ASP CB . 51550 1 179 . 1 . 1 44 44 ASP N N 15 120.932 0.012 . 1 . . 352 . . 39 ASP N . 51550 1 180 . 1 . 1 45 45 ASP H H 1 8.261 0.001 . 1 . . 131 . . 40 ASP H . 51550 1 181 . 1 . 1 45 45 ASP C C 13 175.859 0.009 . 1 . . 552 . . 40 ASP C . 51550 1 182 . 1 . 1 45 45 ASP CA C 13 54.452 0.03 . 1 . . 549 . . 40 ASP CA . 51550 1 183 . 1 . 1 45 45 ASP CB C 13 41.100 0.031 . 1 . . 548 . . 40 ASP CB . 51550 1 184 . 1 . 1 45 45 ASP N N 15 120.036 0.014 . 1 . . 132 . . 40 ASP N . 51550 1 185 . 1 . 1 46 46 VAL H H 1 8.030 0.001 . 1 . . 396 . . 41 VAL H . 51550 1 186 . 1 . 1 46 46 VAL C C 13 176.061 0.016 . 1 . . 536 . . 41 VAL C . 51550 1 187 . 1 . 1 46 46 VAL CA C 13 62.365 0.021 . 1 . . 534 . . 41 VAL CA . 51550 1 188 . 1 . 1 46 46 VAL CB C 13 32.754 0.037 . 1 . . 532 . . 41 VAL CB . 51550 1 189 . 1 . 1 46 46 VAL N N 15 120.452 0.026 . 1 . . 397 . . 41 VAL N . 51550 1 190 . 1 . 1 47 47 ILE H H 1 8.229 0.0 . 1 . . 167 . . 42 ILE H . 51550 1 191 . 1 . 1 47 47 ILE C C 13 175.831 0.0 . 1 . . 535 . . 42 ILE C . 51550 1 192 . 1 . 1 47 47 ILE CA C 13 60.901 0.028 . 1 . . 533 . . 42 ILE CA . 51550 1 193 . 1 . 1 47 47 ILE CB C 13 38.818 0.024 . 1 . . 531 . . 42 ILE CB . 51550 1 194 . 1 . 1 47 47 ILE N N 15 125.009 0.004 . 1 . . 168 . . 42 ILE N . 51550 1 195 . 1 . 1 48 48 ASP H H 1 8.321 0.001 . 1 . . 115 . . 43 ASP H . 51550 1 196 . 1 . 1 48 48 ASP C C 13 175.770 0.012 . 1 . . 538 . . 43 ASP C . 51550 1 197 . 1 . 1 48 48 ASP CA C 13 54.472 0.033 . 1 . . 537 . . 43 ASP CA . 51550 1 198 . 1 . 1 48 48 ASP CB C 13 41.336 0.062 . 1 . . 454 . . 43 ASP CB . 51550 1 199 . 1 . 1 48 48 ASP N N 15 124.575 0.016 . 1 . . 116 . . 43 ASP N . 51550 1 200 . 1 . 1 49 49 ASP H H 1 8.247 0.0 . 1 . . 95 . . 44 ASP H . 51550 1 201 . 1 . 1 49 49 ASP C C 13 176.114 0.007 . 1 . . 541 . . 44 ASP C . 51550 1 202 . 1 . 1 49 49 ASP CA C 13 54.393 0.043 . 1 . . 540 . . 44 ASP CA . 51550 1 203 . 1 . 1 49 49 ASP CB C 13 41.116 0.06 . 1 . . 539 . . 44 ASP CB . 51550 1 204 . 1 . 1 49 49 ASP N N 15 120.836 0.014 . 1 . . 96 . . 44 ASP N . 51550 1 205 . 1 . 1 50 50 ILE H H 1 8.078 0.001 . 1 . . 107 . . 45 ILE H . 51550 1 206 . 1 . 1 50 50 ILE C C 13 176.511 0.008 . 1 . . 544 . . 45 ILE C . 51550 1 207 . 1 . 1 50 50 ILE CA C 13 61.544 . . 1 . . 543 . . 45 ILE CA . 51550 1 208 . 1 . 1 50 50 ILE CB C 13 38.560 . . 1 . . 542 . . 45 ILE CB . 51550 1 209 . 1 . 1 50 50 ILE N N 15 120.974 0.004 . 1 . . 108 . . 45 ILE N . 51550 1 210 . 1 . 1 51 51 ILE H H 1 8.161 0.001 . 1 . . 529 . . 46 ILE H . 51550 1 211 . 1 . 1 51 51 ILE C C 13 176.490 0.003 . 1 . . 344 . . 46 ILE C . 51550 1 212 . 1 . 1 51 51 ILE CA C 13 61.375 . . 1 . . 341 . . 46 ILE CA . 51550 1 213 . 1 . 1 51 51 ILE CB C 13 38.449 0.05 . 1 . . 342 . . 46 ILE CB . 51550 1 214 . 1 . 1 51 51 ILE N N 15 124.662 0.001 . 1 . . 530 . . 46 ILE N . 51550 1 215 . 1 . 1 52 52 SER H H 1 8.317 0.001 . 1 . . 175 . . 47 SER H . 51550 1 216 . 1 . 1 52 52 SER C C 13 174.776 0.006 . 1 . . 343 . . 47 SER C . 51550 1 217 . 1 . 1 52 52 SER CA C 13 58.250 0.055 . 1 . . 339 . . 47 SER CA . 51550 1 218 . 1 . 1 52 52 SER CB C 13 63.672 0.03 . 1 . . 340 . . 47 SER CB . 51550 1 219 . 1 . 1 52 52 SER N N 15 119.651 0.009 . 1 . . 176 . . 47 SER N . 51550 1 220 . 1 . 1 53 53 LEU H H 1 8.312 0.001 . 1 . . 345 . . 48 LEU H . 51550 1 221 . 1 . 1 53 53 LEU C C 13 177.735 0.008 . 1 . . 349 . . 48 LEU C . 51550 1 222 . 1 . 1 53 53 LEU CA C 13 55.539 . . 1 . . 348 . . 48 LEU CA . 51550 1 223 . 1 . 1 53 53 LEU CB C 13 42.404 0.01 . 1 . . 347 . . 48 LEU CB . 51550 1 224 . 1 . 1 53 53 LEU N N 15 124.871 0.026 . 1 . . 346 . . 48 LEU N . 51550 1 225 . 1 . 1 54 54 GLU H H 1 8.357 0.001 . 1 . . 31 . . 49 GLU H . 51550 1 226 . 1 . 1 54 54 GLU C C 13 176.814 0.005 . 1 . . 350 . . 49 GLU C . 51550 1 227 . 1 . 1 54 54 GLU CA C 13 57.041 0.006 . 1 . . 353 . . 49 GLU CA . 51550 1 228 . 1 . 1 54 54 GLU CB C 13 30.069 0.039 . 1 . . 354 . . 49 GLU CB . 51550 1 229 . 1 . 1 54 54 GLU N N 15 120.960 0.026 . 1 . . 32 . . 49 GLU N . 51550 1 230 . 1 . 1 55 55 SER H H 1 8.256 0.0 . 1 . . 81 . . 50 SER H . 51550 1 231 . 1 . 1 55 55 SER C C 13 174.668 0.002 . 1 . . 355 . . 50 SER C . 51550 1 232 . 1 . 1 55 55 SER CA C 13 58.671 0.019 . 1 . . 356 . . 50 SER CA . 51550 1 233 . 1 . 1 55 55 SER CB C 13 63.734 0.006 . 1 . . 357 . . 50 SER CB . 51550 1 234 . 1 . 1 55 55 SER N N 15 116.371 0.006 . 1 . . 82 . . 50 SER N . 51550 1 235 . 1 . 1 56 56 SER H H 1 8.230 0.001 . 1 . . 41 . . 51 SER H . 51550 1 236 . 1 . 1 56 56 SER C C 13 174.217 0.001 . 1 . . 358 . . 51 SER C . 51550 1 237 . 1 . 1 56 56 SER CA C 13 58.620 0.001 . 1 . . 360 . . 51 SER CA . 51550 1 238 . 1 . 1 56 56 SER CB C 13 63.760 0.033 . 1 . . 359 . . 51 SER CB . 51550 1 239 . 1 . 1 56 56 SER N N 15 117.611 0.005 . 1 . . 42 . . 51 SER N . 51550 1 240 . 1 . 1 57 57 TYR H H 1 8.132 0.001 . 1 . . 125 . . 52 TYR H . 51550 1 241 . 1 . 1 57 57 TYR C C 13 175.429 0.003 . 1 . . 361 . . 52 TYR C . 51550 1 242 . 1 . 1 57 57 TYR CA C 13 58.299 0.039 . 1 . . 362 . . 52 TYR CA . 51550 1 243 . 1 . 1 57 57 TYR CB C 13 38.730 0.02 . 1 . . 363 . . 52 TYR CB . 51550 1 244 . 1 . 1 57 57 TYR N N 15 122.199 0.02 . 1 . . 126 . . 52 TYR N . 51550 1 245 . 1 . 1 58 58 ASN H H 1 8.185 0.0 . 1 . . 91 . . 53 ASN H . 51550 1 246 . 1 . 1 58 58 ASN C C 13 175.026 0.003 . 1 . . 366 . . 53 ASN C . 51550 1 247 . 1 . 1 58 58 ASN CA C 13 53.320 0.01 . 1 . . 364 . . 53 ASN CA . 51550 1 248 . 1 . 1 58 58 ASN CB C 13 39.157 0.037 . 1 . . 365 . . 53 ASN CB . 51550 1 249 . 1 . 1 58 58 ASN N N 15 120.749 0.003 . 1 . . 92 . . 53 ASN N . 51550 1 250 . 1 . 1 59 59 GLU H H 1 8.347 0.0 . 1 . . 79 . . 54 GLU H . 51550 1 251 . 1 . 1 59 59 GLU C C 13 176.797 . . 1 . . 586 . . 54 GLU C . 51550 1 252 . 1 . 1 59 59 GLU CA C 13 57.310 . . 1 . . 588 . . 54 GLU CA . 51550 1 253 . 1 . 1 59 59 GLU CB C 13 30.100 . . 1 . . 587 . . 54 GLU CB . 51550 1 254 . 1 . 1 59 59 GLU N N 15 121.377 0.006 . 1 . . 80 . . 54 GLU N . 51550 1 255 . 1 . 1 60 60 GLU H H 1 8.348 0.0 . 1 . . 578 . . 55 GLU H . 51550 1 256 . 1 . 1 60 60 GLU C C 13 176.934 0.003 . 1 . . 528 . . 55 GLU C . 51550 1 257 . 1 . 1 60 60 GLU CA C 13 57.302 0.013 . 1 . . 524 . . 55 GLU CA . 51550 1 258 . 1 . 1 60 60 GLU CB C 13 29.982 0.044 . 1 . . 526 . . 55 GLU CB . 51550 1 259 . 1 . 1 60 60 GLU N N 15 121.435 0.032 . 1 . . 579 . . 55 GLU N . 51550 1 260 . 1 . 1 61 61 ILE H H 1 8.005 0.0 . 1 . . 23 . . 56 ILE H . 51550 1 261 . 1 . 1 61 61 ILE C C 13 176.661 0.009 . 1 . . 527 . . 56 ILE C . 51550 1 262 . 1 . 1 61 61 ILE CA C 13 61.474 0.025 . 1 . . 523 . . 56 ILE CA . 51550 1 263 . 1 . 1 61 61 ILE CB C 13 38.385 0.048 . 1 . . 525 . . 56 ILE CB . 51550 1 264 . 1 . 1 61 61 ILE N N 15 120.923 0.003 . 1 . . 24 . . 56 ILE N . 51550 1 265 . 1 . 1 62 62 LEU H H 1 8.156 0.002 . 1 . . 191 . . 57 LEU H . 51550 1 266 . 1 . 1 62 62 LEU C C 13 178.170 0.007 . 1 . . 210 . . 57 LEU C . 51550 1 267 . 1 . 1 62 62 LEU CA C 13 55.837 0.048 . 1 . . 208 . . 57 LEU CA . 51550 1 268 . 1 . 1 62 62 LEU CB C 13 42.253 0.049 . 1 . . 207 . . 57 LEU CB . 51550 1 269 . 1 . 1 62 62 LEU N N 15 124.721 0.027 . 1 . . 192 . . 57 LEU N . 51550 1 270 . 1 . 1 63 63 GLY H H 1 8.233 0.001 . 1 . . 97 . . 58 GLY H . 51550 1 271 . 1 . 1 63 63 GLY C C 13 174.196 0.004 . 1 . . 209 . . 58 GLY C . 51550 1 272 . 1 . 1 63 63 GLY CA C 13 45.559 0.006 . 1 . . 206 . . 58 GLY CA . 51550 1 273 . 1 . 1 63 63 GLY N N 15 108.473 0.004 . 1 . . 98 . . 58 GLY N . 51550 1 274 . 1 . 1 64 64 LEU H H 1 7.915 0.0 . 1 . . 39 . . 59 LEU H . 51550 1 275 . 1 . 1 64 64 LEU C C 13 177.352 0.006 . 1 . . 298 . . 59 LEU C . 51550 1 276 . 1 . 1 64 64 LEU CA C 13 55.296 . . 1 . . 300 . . 59 LEU CA . 51550 1 277 . 1 . 1 64 64 LEU CB C 13 42.416 0.015 . 1 . . 299 . . 59 LEU CB . 51550 1 278 . 1 . 1 64 64 LEU N N 15 120.939 0.001 . 1 . . 40 . . 59 LEU N . 51550 1 279 . 1 . 1 65 65 MET H H 1 8.191 0.001 . 1 . . 173 . . 60 MET H . 51550 1 280 . 1 . 1 65 65 MET C C 13 175.481 0.002 . 1 . . 303 . . 60 MET C . 51550 1 281 . 1 . 1 65 65 MET CA C 13 55.153 0.068 . 1 . . 302 . . 60 MET CA . 51550 1 282 . 1 . 1 65 65 MET CB C 13 33.128 0.079 . 1 . . 301 . . 60 MET CB . 51550 1 283 . 1 . 1 65 65 MET N N 15 120.302 0.004 . 1 . . 174 . . 60 MET N . 51550 1 284 . 1 . 1 66 66 ASP H H 1 8.189 0.001 . 1 . . 127 . . 61 ASP H . 51550 1 285 . 1 . 1 66 66 ASP C C 13 175.447 . . 1 . . 304 . . 61 ASP C . 51550 1 286 . 1 . 1 66 66 ASP CA C 13 52.203 . . 1 . . 305 . . 61 ASP CA . 51550 1 287 . 1 . 1 66 66 ASP CB C 13 41.695 . . 1 . . 306 . . 61 ASP CB . 51550 1 288 . 1 . 1 66 66 ASP N N 15 123.399 0.002 . 1 . . 128 . . 61 ASP N . 51550 1 289 . 1 . 1 67 67 PRO C C 13 177.725 0.0 . 1 . . 517 . . 62 PRO C . 51550 1 290 . 1 . 1 67 67 PRO CA C 13 64.249 0.009 . 1 . . 518 . . 62 PRO CA . 51550 1 291 . 1 . 1 67 67 PRO CB C 13 32.091 0.01 . 1 . . 519 . . 62 PRO CB . 51550 1 292 . 1 . 1 68 68 ALA H H 1 8.442 0.001 . 1 . . 85 . . 63 ALA H . 51550 1 293 . 1 . 1 68 68 ALA C C 13 178.874 0.0 . 1 . . 508 . . 63 ALA C . 51550 1 294 . 1 . 1 68 68 ALA CA C 13 53.550 0.014 . 1 . . 504 . . 63 ALA CA . 51550 1 295 . 1 . 1 68 68 ALA CB C 13 18.686 0.023 . 1 . . 506 . . 63 ALA CB . 51550 1 296 . 1 . 1 68 68 ALA N N 15 121.298 0.004 . 1 . . 86 . . 63 ALA N . 51550 1 297 . 1 . 1 69 69 LEU H H 1 7.782 0.0 . 1 . . 59 . . 64 LEU H . 51550 1 298 . 1 . 1 69 69 LEU C C 13 177.740 0.002 . 1 . . 507 . . 64 LEU C . 51550 1 299 . 1 . 1 69 69 LEU CA C 13 55.489 0.001 . 1 . . 503 . . 64 LEU CA . 51550 1 300 . 1 . 1 69 69 LEU CB C 13 42.135 0.043 . 1 . . 505 . . 64 LEU CB . 51550 1 301 . 1 . 1 69 69 LEU N N 15 118.830 0.004 . 1 . . 60 . . 64 LEU N . 51550 1 302 . 1 . 1 70 70 GLN H H 1 7.921 0.0 . 1 . . 157 . . 65 GLN H . 51550 1 303 . 1 . 1 70 70 GLN C C 13 176.360 0.002 . 1 . . 511 . . 65 GLN C . 51550 1 304 . 1 . 1 70 70 GLN CA C 13 56.300 0.065 . 1 . . 510 . . 65 GLN CA . 51550 1 305 . 1 . 1 70 70 GLN CB C 13 29.213 0.013 . 1 . . 509 . . 65 GLN CB . 51550 1 306 . 1 . 1 70 70 GLN N N 15 119.333 0.004 . 1 . . 158 . . 65 GLN N . 51550 1 307 . 1 . 1 71 71 MET H H 1 8.170 0.003 . 1 . . 512 . . 66 MET H . 51550 1 308 . 1 . 1 71 71 MET C C 13 176.244 0.008 . 1 . . 516 . . 66 MET C . 51550 1 309 . 1 . 1 71 71 MET CA C 13 55.760 0.027 . 1 . . 515 . . 66 MET CA . 51550 1 310 . 1 . 1 71 71 MET CB C 13 32.818 0.074 . 1 . . 514 . . 66 MET CB . 51550 1 311 . 1 . 1 71 71 MET N N 15 120.274 0.045 . 1 . . 513 . . 66 MET N . 51550 1 312 . 1 . 1 72 72 ALA H H 1 8.181 0.0 . 1 . . 111 . . 67 ALA H . 51550 1 313 . 1 . 1 72 72 ALA C C 13 177.528 0.002 . 1 . . 485 . . 67 ALA C . 51550 1 314 . 1 . 1 72 72 ALA CA C 13 52.931 0.004 . 1 . . 486 . . 67 ALA CA . 51550 1 315 . 1 . 1 72 72 ALA CB C 13 19.209 0.031 . 1 . . 487 . . 67 ALA CB . 51550 1 316 . 1 . 1 72 72 ALA N N 15 124.230 0.005 . 1 . . 112 . . 67 ALA N . 51550 1 317 . 1 . 1 73 73 ASN H H 1 8.317 0.001 . 1 . . 51 . . 68 ASN H . 51550 1 318 . 1 . 1 73 73 ASN C C 13 175.250 0.004 . 1 . . 417 . . 68 ASN C . 51550 1 319 . 1 . 1 73 73 ASN CA C 13 53.362 0.062 . 1 . . 413 . . 68 ASN CA . 51550 1 320 . 1 . 1 73 73 ASN CB C 13 38.912 0.019 . 1 . . 416 . . 68 ASN CB . 51550 1 321 . 1 . 1 73 73 ASN N N 15 117.240 0.006 . 1 . . 52 . . 68 ASN N . 51550 1 322 . 1 . 1 74 74 THR H H 1 7.994 0.0 . 1 . . 161 . . 69 THR H . 51550 1 323 . 1 . 1 74 74 THR C C 13 174.226 0.006 . 1 . . 418 . . 69 THR C . 51550 1 324 . 1 . 1 74 74 THR CA C 13 61.726 0.012 . 1 . . 414 . . 69 THR CA . 51550 1 325 . 1 . 1 74 74 THR CB C 13 69.861 0.025 . 1 . . 415 . . 69 THR CB . 51550 1 326 . 1 . 1 74 74 THR N N 15 113.861 0.002 . 1 . . 162 . . 69 THR N . 51550 1 327 . 1 . 1 75 75 LEU H H 1 8.179 0.0 . 1 . . 71 . . 70 LEU H . 51550 1 328 . 1 . 1 75 75 LEU C C 13 175.165 . . 1 . . 419 . . 70 LEU C . 51550 1 329 . 1 . 1 75 75 LEU CA C 13 53.213 . . 1 . . 420 . . 70 LEU CA . 51550 1 330 . 1 . 1 75 75 LEU CB C 13 41.794 . . 1 . . 421 . . 70 LEU CB . 51550 1 331 . 1 . 1 75 75 LEU N N 15 125.819 0.003 . 1 . . 72 . . 70 LEU N . 51550 1 332 . 1 . 1 76 76 PRO C C 13 176.960 0.005 . 1 . . 545 . . 71 PRO C . 51550 1 333 . 1 . 1 76 76 PRO CA C 13 62.977 . . 1 . . 546 . . 71 PRO CA . 51550 1 334 . 1 . 1 76 76 PRO CB C 13 31.911 . . 1 . . 547 . . 71 PRO CB . 51550 1 335 . 1 . 1 77 77 VAL H H 1 8.234 0.0 . 1 . . 199 . . 72 VAL H . 51550 1 336 . 1 . 1 77 77 VAL C C 13 176.336 0.005 . 1 . . 502 . . 72 VAL C . 51550 1 337 . 1 . 1 77 77 VAL CA C 13 62.368 0.073 . 1 . . 500 . . 72 VAL CA . 51550 1 338 . 1 . 1 77 77 VAL CB C 13 32.791 0.031 . 1 . . 501 . . 72 VAL CB . 51550 1 339 . 1 . 1 77 77 VAL N N 15 120.098 0.002 . 1 . . 200 . . 72 VAL N . 51550 1 340 . 1 . 1 78 78 SER H H 1 8.323 0.0 . 1 . . 7 . . 73 SER H . 51550 1 341 . 1 . 1 78 78 SER C C 13 174.947 0.006 . 1 . . 205 . . 73 SER C . 51550 1 342 . 1 . 1 78 78 SER CA C 13 58.293 0.015 . 1 . . 202 . . 73 SER CA . 51550 1 343 . 1 . 1 78 78 SER CB C 13 63.969 0.008 . 1 . . 203 . . 73 SER CB . 51550 1 344 . 1 . 1 78 78 SER N N 15 118.795 0.005 . 1 . . 8 . . 73 SER N . 51550 1 345 . 1 . 1 79 79 GLY H H 1 8.404 0.0 . 1 . . 169 . . 74 GLY H . 51550 1 346 . 1 . 1 79 79 GLY C C 13 173.708 0.001 . 1 . . 204 . . 74 GLY C . 51550 1 347 . 1 . 1 79 79 GLY CA C 13 45.433 0.015 . 1 . . 201 . . 74 GLY CA . 51550 1 348 . 1 . 1 79 79 GLY N N 15 110.594 0.002 . 1 . . 170 . . 74 GLY N . 51550 1 349 . 1 . 1 80 80 ASN H H 1 8.325 0.0 . 1 . . 151 . . 75 ASN H . 51550 1 350 . 1 . 1 80 80 ASN C C 13 175.226 0.003 . 1 . . 309 . . 75 ASN C . 51550 1 351 . 1 . 1 80 80 ASN CA C 13 53.255 0.011 . 1 . . 308 . . 75 ASN CA . 51550 1 352 . 1 . 1 80 80 ASN CB C 13 38.941 0.02 . 1 . . 307 . . 75 ASN CB . 51550 1 353 . 1 . 1 80 80 ASN N N 15 118.477 0.003 . 1 . . 152 . . 75 ASN N . 51550 1 354 . 1 . 1 81 81 LEU H H 1 8.257 0.0 . 1 . . 55 . . 76 LEU H . 51550 1 355 . 1 . 1 81 81 LEU C C 13 177.384 0.005 . 1 . . 312 . . 76 LEU C . 51550 1 356 . 1 . 1 81 81 LEU CA C 13 55.862 0.005 . 1 . . 311 . . 76 LEU CA . 51550 1 357 . 1 . 1 81 81 LEU CB C 13 42.138 0.038 . 1 . . 310 . . 76 LEU CB . 51550 1 358 . 1 . 1 81 81 LEU N N 15 122.477 0.005 . 1 . . 56 . . 76 LEU N . 51550 1 359 . 1 . 1 82 82 ILE H H 1 7.972 0.001 . 1 . . 101 . . 77 ILE H . 51550 1 360 . 1 . 1 82 82 ILE C C 13 176.157 0.003 . 1 . . 315 . . 77 ILE C . 51550 1 361 . 1 . 1 82 82 ILE CA C 13 61.522 0.004 . 1 . . 314 . . 77 ILE CA . 51550 1 362 . 1 . 1 82 82 ILE CB C 13 38.722 0.041 . 1 . . 313 . . 77 ILE CB . 51550 1 363 . 1 . 1 82 82 ILE N N 15 120.378 0.006 . 1 . . 102 . . 77 ILE N . 51550 1 364 . 1 . 1 83 83 ASP H H 1 8.219 0.001 . 1 . . 316 . . 78 ASP H . 51550 1 365 . 1 . 1 83 83 ASP C C 13 176.563 0.009 . 1 . . 522 . . 78 ASP C . 51550 1 366 . 1 . 1 83 83 ASP CA C 13 54.414 0.067 . 1 . . 521 . . 78 ASP CA . 51550 1 367 . 1 . 1 83 83 ASP CB C 13 41.029 0.014 . 1 . . 520 . . 78 ASP CB . 51550 1 368 . 1 . 1 83 83 ASP N N 15 123.512 0.007 . 1 . . 317 . . 78 ASP N . 51550 1 369 . 1 . 1 84 84 LEU H H 1 7.999 0.001 . 1 . . 189 . . 79 LEU H . 51550 1 370 . 1 . 1 84 84 LEU C C 13 177.656 0.005 . 1 . . 490 . . 79 LEU C . 51550 1 371 . 1 . 1 84 84 LEU CA C 13 56.130 0.066 . 1 . . 489 . . 79 LEU CA . 51550 1 372 . 1 . 1 84 84 LEU CB C 13 42.326 0.033 . 1 . . 488 . . 79 LEU CB . 51550 1 373 . 1 . 1 84 84 LEU N N 15 122.198 0.01 . 1 . . 190 . . 79 LEU N . 51550 1 374 . 1 . 1 85 85 TYR H H 1 8.084 0.001 . 1 . . 33 . . 80 TYR H . 51550 1 375 . 1 . 1 85 85 TYR C C 13 176.801 0.002 . 1 . . 215 . . 80 TYR C . 51550 1 376 . 1 . 1 85 85 TYR CA C 13 58.040 0.022 . 1 . . 213 . . 80 TYR CA . 51550 1 377 . 1 . 1 85 85 TYR CB C 13 38.568 0.013 . 1 . . 212 . . 80 TYR CB . 51550 1 378 . 1 . 1 85 85 TYR N N 15 118.035 0.004 . 1 . . 34 . . 80 TYR N . 51550 1 379 . 1 . 1 86 86 GLY H H 1 8.157 0.001 . 1 . . 193 . . 81 GLY H . 51550 1 380 . 1 . 1 86 86 GLY C C 13 174.336 0.002 . 1 . . 214 . . 81 GLY C . 51550 1 381 . 1 . 1 86 86 GLY CA C 13 45.796 . . 1 . . 211 . . 81 GLY CA . 51550 1 382 . 1 . 1 86 86 GLY N N 15 109.273 0.002 . 1 . . 194 . . 81 GLY N . 51550 1 383 . 1 . 1 87 87 ASN H H 1 8.389 0.0 . 1 . . 19 . . 82 ASN H . 51550 1 384 . 1 . 1 87 87 ASN C C 13 175.554 0.002 . 1 . . 216 . . 82 ASN C . 51550 1 385 . 1 . 1 87 87 ASN CA C 13 53.562 0.011 . 1 . . 218 . . 82 ASN CA . 51550 1 386 . 1 . 1 87 87 ASN CB C 13 38.889 0.015 . 1 . . 217 . . 82 ASN CB . 51550 1 387 . 1 . 1 87 87 ASN N N 15 118.645 0.002 . 1 . . 20 . . 82 ASN N . 51550 1 388 . 1 . 1 88 88 GLN H H 1 8.458 0.001 . 1 . . 15 . . 83 GLN H . 51550 1 389 . 1 . 1 88 88 GLN C C 13 176.298 0.001 . 1 . . 221 . . 83 GLN C . 51550 1 390 . 1 . 1 88 88 GLN CA C 13 56.247 0.037 . 1 . . 220 . . 83 GLN CA . 51550 1 391 . 1 . 1 88 88 GLN CB C 13 29.325 0.009 . 1 . . 219 . . 83 GLN CB . 51550 1 392 . 1 . 1 88 88 GLN N N 15 119.608 0.007 . 1 . . 16 . . 83 GLN N . 51550 1 393 . 1 . 1 89 89 GLY H H 1 8.315 0.001 . 1 . . 5 . . 84 GLY H . 51550 1 394 . 1 . 1 89 89 GLY C C 13 173.573 0.005 . 1 . . 223 . . 84 GLY C . 51550 1 395 . 1 . 1 89 89 GLY CA C 13 45.226 0.013 . 1 . . 222 . . 84 GLY CA . 51550 1 396 . 1 . 1 89 89 GLY N N 15 109.069 0.01 . 1 . . 6 . . 84 GLY N . 51550 1 397 . 1 . 1 90 90 LEU H H 1 7.982 0.0 . 1 . . 83 . . 85 LEU H . 51550 1 398 . 1 . 1 90 90 LEU C C 13 174.797 . . 1 . . 224 . . 85 LEU C . 51550 1 399 . 1 . 1 90 90 LEU CA C 13 52.915 . . 1 . . 225 . . 85 LEU CA . 51550 1 400 . 1 . 1 90 90 LEU CB C 13 41.823 . . 1 . . 226 . . 85 LEU CB . 51550 1 401 . 1 . 1 90 90 LEU N N 15 122.527 0.004 . 1 . . 84 . . 85 LEU N . 51550 1 402 . 1 . 1 93 93 PRO C C 13 177.652 0.003 . 1 . . 244 . . 88 PRO C . 51550 1 403 . 1 . 1 93 93 PRO CA C 13 63.321 0.018 . 1 . . 241 . . 88 PRO CA . 51550 1 404 . 1 . 1 93 93 PRO CB C 13 32.017 0.028 . 1 . . 242 . . 88 PRO CB . 51550 1 405 . 1 . 1 94 94 GLY H H 1 8.404 0.0 . 1 . . 43 . . 89 GLY H . 51550 1 406 . 1 . 1 94 94 GLY C C 13 174.058 0.006 . 1 . . 243 . . 89 GLY C . 51550 1 407 . 1 . 1 94 94 GLY CA C 13 45.309 0.046 . 1 . . 240 . . 89 GLY CA . 51550 1 408 . 1 . 1 94 94 GLY N N 15 108.619 0.002 . 1 . . 44 . . 89 GLY N . 51550 1 409 . 1 . 1 95 95 LEU H H 1 7.988 0.0 . 1 . . 11 . . 90 LEU H . 51550 1 410 . 1 . 1 95 95 LEU C C 13 177.422 0.003 . 1 . . 318 . . 90 LEU C . 51550 1 411 . 1 . 1 95 95 LEU CA C 13 55.234 0.019 . 1 . . 319 . . 90 LEU CA . 51550 1 412 . 1 . 1 95 95 LEU CB C 13 42.676 0.018 . 1 . . 320 . . 90 LEU CB . 51550 1 413 . 1 . 1 95 95 LEU N N 15 121.574 0.003 . 1 . . 12 . . 90 LEU N . 51550 1 414 . 1 . 1 96 96 THR H H 1 8.218 0.0 . 1 . . 103 . . 91 THR H . 51550 1 415 . 1 . 1 96 96 THR C C 13 174.418 0.002 . 1 . . 321 . . 91 THR C . 51550 1 416 . 1 . 1 96 96 THR CA C 13 61.795 . . 1 . . 322 . . 91 THR CA . 51550 1 417 . 1 . 1 96 96 THR CB C 13 69.885 0.007 . 1 . . 323 . . 91 THR CB . 51550 1 418 . 1 . 1 96 96 THR N N 15 115.868 0.005 . 1 . . 104 . . 91 THR N . 51550 1 419 . 1 . 1 97 97 ILE H H 1 8.218 0.001 . 1 . . 73 . . 92 ILE H . 51550 1 420 . 1 . 1 97 97 ILE C C 13 176.173 0.003 . 1 . . 324 . . 92 ILE C . 51550 1 421 . 1 . 1 97 97 ILE CA C 13 61.140 0.053 . 1 . . 325 . . 92 ILE CA . 51550 1 422 . 1 . 1 97 97 ILE CB C 13 38.801 0.021 . 1 . . 326 . . 92 ILE CB . 51550 1 423 . 1 . 1 97 97 ILE CD1 C 13 12.904 . . 1 . . 338 . . 92 ILE CD1 . 51550 1 424 . 1 . 1 97 97 ILE N N 15 123.427 0.012 . 1 . . 74 . . 92 ILE N . 51550 1 425 . 1 . 1 98 98 SER H H 1 8.386 0.001 . 1 . . 1 . . 93 SER H . 51550 1 426 . 1 . 1 98 98 SER C C 13 174.325 0.007 . 1 . . 329 . . 93 SER C . 51550 1 427 . 1 . 1 98 98 SER CA C 13 58.234 0.027 . 1 . . 327 . . 93 SER CA . 51550 1 428 . 1 . 1 98 98 SER CB C 13 63.878 0.035 . 1 . . 328 . . 93 SER CB . 51550 1 429 . 1 . 1 98 98 SER N N 15 119.649 0.005 . 1 . . 2 . . 93 SER N . 51550 1 430 . 1 . 1 99 99 ASN H H 1 8.471 0.002 . 1 . . 99 . . 94 ASN H . 51550 1 431 . 1 . 1 99 99 ASN C C 13 175.134 0.006 . 1 . . 332 . . 94 ASN C . 51550 1 432 . 1 . 1 99 99 ASN CA C 13 53.367 0.03 . 1 . . 330 . . 94 ASN CA . 51550 1 433 . 1 . 1 99 99 ASN CB C 13 38.938 0.013 . 1 . . 331 . . 94 ASN CB . 51550 1 434 . 1 . 1 99 99 ASN N N 15 121.219 0.022 . 1 . . 100 . . 94 ASN N . 51550 1 435 . 1 . 1 100 100 SER H H 1 8.250 0.001 . 1 . . 77 . . 95 SER H . 51550 1 436 . 1 . 1 100 100 SER C C 13 173.957 0.008 . 1 . . 335 . . 95 SER C . 51550 1 437 . 1 . 1 100 100 SER CA C 13 58.436 0.061 . 1 . . 333 . . 95 SER CA . 51550 1 438 . 1 . 1 100 100 SER CB C 13 63.831 0.004 . 1 . . 334 . . 95 SER CB . 51550 1 439 . 1 . 1 100 100 SER N N 15 115.709 0.006 . 1 . . 78 . . 95 SER N . 51550 1 440 . 1 . 1 101 101 CYS H H 1 8.316 0.001 . 1 . . 159 . . 96 CYS H . 51550 1 441 . 1 . 1 101 101 CYS C C 13 172.676 . . 1 . . 337 . . 96 CYS C . 51550 1 442 . 1 . 1 101 101 CYS CA C 13 56.553 . . 1 . . 336 . . 96 CYS CA . 51550 1 443 . 1 . 1 101 101 CYS CB C 13 27.676 . . 1 . . 585 . . 96 CYS CB . 51550 1 444 . 1 . 1 101 101 CYS N N 15 122.227 0.013 . 1 . . 160 . . 96 CYS N . 51550 1 445 . 1 . 1 102 102 PRO C C 13 176.612 0.004 . 1 . . 584 . . 97 PRO C . 51550 1 446 . 1 . 1 102 102 PRO CA C 13 63.531 . . 1 . . 583 . . 97 PRO CA . 51550 1 447 . 1 . 1 102 102 PRO CB C 13 32.119 . . 1 . . 582 . . 97 PRO CB . 51550 1 448 . 1 . 1 103 103 ALA H H 1 8.317 0.001 . 1 . . 580 . . 98 ALA H . 51550 1 449 . 1 . 1 103 103 ALA C C 13 177.370 0.003 . 1 . . 495 . . 98 ALA C . 51550 1 450 . 1 . 1 103 103 ALA CA C 13 52.748 0.086 . 1 . . 492 . . 98 ALA CA . 51550 1 451 . 1 . 1 103 103 ALA CB C 13 19.296 0.028 . 1 . . 494 . . 98 ALA CB . 51550 1 452 . 1 . 1 103 103 ALA N N 15 123.327 0.01 . 1 . . 581 . . 98 ALA N . 51550 1 453 . 1 . 1 104 104 ASN H H 1 8.276 0.0 . 1 . . 117 . . 99 ASN H . 51550 1 454 . 1 . 1 104 104 ASN C C 13 174.684 0.013 . 1 . . 496 . . 99 ASN C . 51550 1 455 . 1 . 1 104 104 ASN CA C 13 52.848 0.11 . 1 . . 493 . . 99 ASN CA . 51550 1 456 . 1 . 1 104 104 ASN CB C 13 38.870 0.018 . 1 . . 491 . . 99 ASN CB . 51550 1 457 . 1 . 1 104 104 ASN N N 15 116.909 0.013 . 1 . . 118 . . 99 ASN N . 51550 1 458 . 1 . 1 105 105 LEU H H 1 8.033 0.0 . 1 . . 185 . . 100 LEU H . 51550 1 459 . 1 . 1 105 105 LEU C C 13 175.219 . . 1 . . 499 . . 100 LEU C . 51550 1 460 . 1 . 1 105 105 LEU CA C 13 53.189 . . 1 . . 498 . . 100 LEU CA . 51550 1 461 . 1 . 1 105 105 LEU CB C 13 41.775 . . 1 . . 497 . . 100 LEU CB . 51550 1 462 . 1 . 1 105 105 LEU N N 15 123.365 0.026 . 1 . . 186 . . 100 LEU N . 51550 1 463 . 1 . 1 106 106 PRO C C 13 176.618 0.003 . 1 . . 484 . . 101 PRO C . 51550 1 464 . 1 . 1 106 106 PRO CA C 13 63.318 0.02 . 1 . . 481 . . 101 PRO CA . 51550 1 465 . 1 . 1 106 106 PRO CB C 13 32.035 0.011 . 1 . . 482 . . 101 PRO CB . 51550 1 466 . 1 . 1 107 107 ASN H H 1 8.462 0.0 . 1 . . 29 . . 102 ASN H . 51550 1 467 . 1 . 1 107 107 ASN C C 13 175.110 0.003 . 1 . . 483 . . 102 ASN C . 51550 1 468 . 1 . 1 107 107 ASN CA C 13 53.356 0.014 . 1 . . 480 . . 102 ASN CA . 51550 1 469 . 1 . 1 107 107 ASN CB C 13 38.683 0.054 . 1 . . 479 . . 102 ASN CB . 51550 1 470 . 1 . 1 107 107 ASN N N 15 118.373 0.003 . 1 . . 30 . . 102 ASN N . 51550 1 471 . 1 . 1 108 108 ILE H H 1 7.948 0.0 . 1 . . 3 . . 103 ILE H . 51550 1 472 . 1 . 1 108 108 ILE C C 13 175.981 0.008 . 1 . . 427 . . 103 ILE C . 51550 1 473 . 1 . 1 108 108 ILE CA C 13 61.099 0.009 . 1 . . 425 . . 103 ILE CA . 51550 1 474 . 1 . 1 108 108 ILE CB C 13 38.754 0.097 . 1 . . 424 . . 103 ILE CB . 51550 1 475 . 1 . 1 108 108 ILE N N 15 121.031 0.003 . 1 . . 4 . . 103 ILE N . 51550 1 476 . 1 . 1 109 109 LYS H H 1 8.347 0.001 . 1 . . 153 . . 104 LYS H . 51550 1 477 . 1 . 1 109 109 LYS C C 13 176.338 0.005 . 1 . . 426 . . 104 LYS C . 51550 1 478 . 1 . 1 109 109 LYS CA C 13 56.363 0.019 . 1 . . 423 . . 104 LYS CA . 51550 1 479 . 1 . 1 109 109 LYS CB C 13 32.772 0.048 . 1 . . 422 . . 104 LYS CB . 51550 1 480 . 1 . 1 109 109 LYS N N 15 125.361 0.02 . 1 . . 154 . . 104 LYS N . 51550 1 481 . 1 . 1 110 110 ARG H H 1 8.333 0.001 . 1 . . 177 . . 105 ARG H . 51550 1 482 . 1 . 1 110 110 ARG C C 13 176.166 0.003 . 1 . . 430 . . 105 ARG C . 51550 1 483 . 1 . 1 110 110 ARG CA C 13 56.228 0.007 . 1 . . 428 . . 105 ARG CA . 51550 1 484 . 1 . 1 110 110 ARG CB C 13 30.954 0.006 . 1 . . 429 . . 105 ARG CB . 51550 1 485 . 1 . 1 110 110 ARG N N 15 123.287 0.018 . 1 . . 178 . . 105 ARG N . 51550 1 486 . 1 . 1 111 111 GLU H H 1 8.540 0.0 . 1 . . 187 . . 106 GLU H . 51550 1 487 . 1 . 1 111 111 GLU C C 13 176.495 0.004 . 1 . . 431 . . 106 GLU C . 51550 1 488 . 1 . 1 111 111 GLU CA C 13 56.519 0.081 . 1 . . 432 . . 106 GLU CA . 51550 1 489 . 1 . 1 111 111 GLU CB C 13 30.238 0.04 . 1 . . 433 . . 106 GLU CB . 51550 1 490 . 1 . 1 111 111 GLU N N 15 122.152 0.003 . 1 . . 188 . . 106 GLU N . 51550 1 491 . 1 . 1 112 112 LEU H H 1 8.373 0.001 . 1 . . 93 . . 107 LEU H . 51550 1 492 . 1 . 1 112 112 LEU C C 13 177.576 0.004 . 1 . . 436 . . 107 LEU C . 51550 1 493 . 1 . 1 112 112 LEU CA C 13 55.496 0.029 . 1 . . 435 . . 107 LEU CA . 51550 1 494 . 1 . 1 112 112 LEU CB C 13 42.277 0.035 . 1 . . 434 . . 107 LEU CB . 51550 1 495 . 1 . 1 112 112 LEU N N 15 123.354 0.003 . 1 . . 94 . . 107 LEU N . 51550 1 496 . 1 . 1 113 113 THR H H 1 8.030 0.001 . 1 . . 133 . . 108 THR H . 51550 1 497 . 1 . 1 113 113 THR C C 13 174.141 0.008 . 1 . . 437 . . 108 THR C . 51550 1 498 . 1 . 1 113 113 THR CA C 13 61.848 0.041 . 1 . . 438 . . 108 THR CA . 51550 1 499 . 1 . 1 113 113 THR CB C 13 69.793 0.012 . 1 . . 439 . . 108 THR CB . 51550 1 500 . 1 . 1 113 113 THR N N 15 114.307 0.004 . 1 . . 134 . . 108 THR N . 51550 1 501 . 1 . 1 114 114 ALA H H 1 8.224 0.001 . 1 . . 25 . . 109 ALA H . 51550 1 502 . 1 . 1 114 114 ALA C C 13 177.265 0.002 . 1 . . 440 . . 109 ALA C . 51550 1 503 . 1 . 1 114 114 ALA CA C 13 52.526 0.008 . 1 . . 441 . . 109 ALA CA . 51550 1 504 . 1 . 1 114 114 ALA CB C 13 19.357 0.034 . 1 . . 442 . . 109 ALA CB . 51550 1 505 . 1 . 1 114 114 ALA N N 15 126.084 0.006 . 1 . . 26 . . 109 ALA N . 51550 1 506 . 1 . 1 115 115 CYS H H 1 8.250 0.001 . 1 . . 9 . . 110 CYS H . 51550 1 507 . 1 . 1 115 115 CYS C C 13 174.025 0.004 . 1 . . 443 . . 110 CYS C . 51550 1 508 . 1 . 1 115 115 CYS CA C 13 58.469 0.094 . 1 . . 446 . . 110 CYS CA . 51550 1 509 . 1 . 1 115 115 CYS CB C 13 28.043 0.018 . 1 . . 447 . . 110 CYS CB . 51550 1 510 . 1 . 1 115 115 CYS N N 15 118.801 0.006 . 1 . . 10 . . 110 CYS N . 51550 1 511 . 1 . 1 116 116 ILE H H 1 8.034 0.0 . 1 . . 139 . . 111 ILE H . 51550 1 512 . 1 . 1 116 116 ILE C C 13 175.413 0.004 . 1 . . 448 . . 111 ILE C . 51550 1 513 . 1 . 1 116 116 ILE CA C 13 60.965 0.04 . 1 . . 449 . . 111 ILE CA . 51550 1 514 . 1 . 1 116 116 ILE CB C 13 38.785 0.051 . 1 . . 450 . . 111 ILE CB . 51550 1 515 . 1 . 1 116 116 ILE N N 15 122.868 0.004 . 1 . . 140 . . 111 ILE N . 51550 1 516 . 1 . 1 117 117 PHE H H 1 8.306 0.001 . 1 . . 17 . . 112 PHE H . 51550 1 517 . 1 . 1 117 117 PHE C C 13 173.811 . . 1 . . 451 . . 112 PHE C . 51550 1 518 . 1 . 1 117 117 PHE CA C 13 55.533 . . 1 . . 453 . . 112 PHE CA . 51550 1 519 . 1 . 1 117 117 PHE CB C 13 39.157 . . 1 . . 452 . . 112 PHE CB . 51550 1 520 . 1 . 1 117 117 PHE N N 15 125.025 0.023 . 1 . . 18 . . 112 PHE N . 51550 1 521 . 1 . 1 118 118 PRO C C 13 177.233 0.002 . 1 . . 372 . . 113 PRO C . 51550 1 522 . 1 . 1 118 118 PRO CA C 13 63.283 0.027 . 1 . . 369 . . 113 PRO CA . 51550 1 523 . 1 . 1 118 118 PRO CB C 13 32.111 0.04 . 1 . . 370 . . 113 PRO CB . 51550 1 524 . 1 . 1 119 119 THR H H 1 8.284 0.0 . 1 . . 61 . . 114 THR H . 51550 1 525 . 1 . 1 119 119 THR C C 13 175.019 0.003 . 1 . . 371 . . 114 THR C . 51550 1 526 . 1 . 1 119 119 THR CA C 13 61.927 0.042 . 1 . . 367 . . 114 THR CA . 51550 1 527 . 1 . 1 119 119 THR CB C 13 70.134 0.017 . 1 . . 368 . . 114 THR CB . 51550 1 528 . 1 . 1 119 119 THR N N 15 113.960 0.005 . 1 . . 62 . . 114 THR N . 51550 1 529 . 1 . 1 120 120 GLU H H 1 8.586 0.0 . 1 . . 89 . . 115 GLU H . 51550 1 530 . 1 . 1 120 120 GLU C C 13 177.225 0.002 . 1 . . 373 . . 115 GLU C . 51550 1 531 . 1 . 1 120 120 GLU CA C 13 57.576 0.075 . 1 . . 375 . . 115 GLU CA . 51550 1 532 . 1 . 1 120 120 GLU CB C 13 30.023 0.009 . 1 . . 374 . . 115 GLU CB . 51550 1 533 . 1 . 1 120 120 GLU N N 15 122.687 0.003 . 1 . . 90 . . 115 GLU N . 51550 1 534 . 1 . 1 121 121 SER H H 1 8.352 0.0 . 1 . . 105 . . 116 SER H . 51550 1 535 . 1 . 1 121 121 SER C C 13 175.531 0.002 . 1 . . 376 . . 116 SER C . 51550 1 536 . 1 . 1 121 121 SER CA C 13 59.440 0.044 . 1 . . 377 . . 116 SER CA . 51550 1 537 . 1 . 1 121 121 SER CB C 13 63.455 0.034 . 1 . . 378 . . 116 SER CB . 51550 1 538 . 1 . 1 121 121 SER N N 15 115.836 0.003 . 1 . . 106 . . 116 SER N . 51550 1 539 . 1 . 1 122 122 GLU H H 1 8.259 0.0 . 1 . . 181 . . 117 GLU H . 51550 1 540 . 1 . 1 122 122 GLU C C 13 177.075 0.002 . 1 . . 379 . . 117 GLU C . 51550 1 541 . 1 . 1 122 122 GLU CA C 13 57.555 0.065 . 1 . . 380 . . 117 GLU CA . 51550 1 542 . 1 . 1 122 122 GLU CB C 13 30.045 0.026 . 1 . . 381 . . 117 GLU CB . 51550 1 543 . 1 . 1 122 122 GLU N N 15 123.088 0.003 . 1 . . 182 . . 117 GLU N . 51550 1 544 . 1 . 1 123 123 ALA H H 1 8.283 0.001 . 1 . . 63 . . 118 ALA H . 51550 1 545 . 1 . 1 123 123 ALA C C 13 178.792 0.003 . 1 . . 384 . . 118 ALA C . 51550 1 546 . 1 . 1 123 123 ALA CA C 13 53.525 0.004 . 1 . . 383 . . 118 ALA CA . 51550 1 547 . 1 . 1 123 123 ALA CB C 13 18.716 0.023 . 1 . . 382 . . 118 ALA CB . 51550 1 548 . 1 . 1 123 123 ALA N N 15 123.857 0.006 . 1 . . 64 . . 118 ALA N . 51550 1 549 . 1 . 1 124 124 ARG H H 1 8.110 0.0 . 1 . . 171 . . 119 ARG H . 51550 1 550 . 1 . 1 124 124 ARG C C 13 176.834 0.004 . 1 . . 387 . . 119 ARG C . 51550 1 551 . 1 . 1 124 124 ARG CA C 13 56.982 0.015 . 1 . . 386 . . 119 ARG CA . 51550 1 552 . 1 . 1 124 124 ARG CB C 13 30.599 0.042 . 1 . . 385 . . 119 ARG CB . 51550 1 553 . 1 . 1 124 124 ARG N N 15 119.286 0.002 . 1 . . 172 . . 119 ARG N . 51550 1 554 . 1 . 1 125 125 ALA H H 1 8.028 0.001 . 1 . . 109 . . 120 ALA H . 51550 1 555 . 1 . 1 125 125 ALA C C 13 178.322 0.001 . 1 . . 392 . . 120 ALA C . 51550 1 556 . 1 . 1 125 125 ALA CA C 13 53.110 0.034 . 1 . . 391 . . 120 ALA CA . 51550 1 557 . 1 . 1 125 125 ALA CB C 13 18.950 0.026 . 1 . . 390 . . 120 ALA CB . 51550 1 558 . 1 . 1 125 125 ALA N N 15 123.778 0.039 . 1 . . 110 . . 120 ALA N . 51550 1 559 . 1 . 1 126 126 LEU H H 1 8.036 0.001 . 1 . . 179 . . 121 LEU H . 51550 1 560 . 1 . 1 126 126 LEU C C 13 177.555 0.008 . 1 . . 393 . . 121 LEU C . 51550 1 561 . 1 . 1 126 126 LEU CA C 13 55.482 0.026 . 1 . . 394 . . 121 LEU CA . 51550 1 562 . 1 . 1 126 126 LEU CB C 13 42.348 0.014 . 1 . . 395 . . 121 LEU CB . 51550 1 563 . 1 . 1 126 126 LEU N N 15 120.454 0.004 . 1 . . 180 . . 121 LEU N . 51550 1 564 . 1 . 1 127 127 ALA H H 1 8.017 0.001 . 1 . . 388 . . 122 ALA H . 51550 1 565 . 1 . 1 127 127 ALA C C 13 177.923 0.004 . 1 . . 398 . . 122 ALA C . 51550 1 566 . 1 . 1 127 127 ALA CA C 13 52.844 0.031 . 1 . . 399 . . 122 ALA CA . 51550 1 567 . 1 . 1 127 127 ALA CB C 13 18.984 0.033 . 1 . . 400 . . 122 ALA CB . 51550 1 568 . 1 . 1 127 127 ALA N N 15 123.723 0.018 . 1 . . 389 . . 122 ALA N . 51550 1 569 . 1 . 1 128 128 LYS H H 1 8.092 0.001 . 1 . . 53 . . 123 LYS H . 51550 1 570 . 1 . 1 128 128 LYS C C 13 176.822 0.005 . 1 . . 401 . . 123 LYS C . 51550 1 571 . 1 . 1 128 128 LYS CA C 13 56.687 0.033 . 1 . . 402 . . 123 LYS CA . 51550 1 572 . 1 . 1 128 128 LYS CB C 13 33.036 0.039 . 1 . . 403 . . 123 LYS CB . 51550 1 573 . 1 . 1 128 128 LYS N N 15 119.931 0.007 . 1 . . 54 . . 123 LYS N . 51550 1 574 . 1 . 1 129 129 GLU H H 1 8.327 0.003 . 1 . . 75 . . 124 GLU H . 51550 1 575 . 1 . 1 129 129 GLU C C 13 176.358 0.0 . 1 . . 406 . . 124 GLU C . 51550 1 576 . 1 . 1 129 129 GLU CA C 13 56.825 0.043 . 1 . . 405 . . 124 GLU CA . 51550 1 577 . 1 . 1 129 129 GLU CB C 13 30.145 0.031 . 1 . . 404 . . 124 GLU CB . 51550 1 578 . 1 . 1 129 129 GLU N N 15 120.988 0.023 . 1 . . 76 . . 124 GLU N . 51550 1 579 . 1 . 1 130 130 ARG H H 1 8.226 0.002 . 1 . . 21 . . 125 ARG H . 51550 1 580 . 1 . 1 130 130 ARG C C 13 175.292 0.001 . 1 . . 408 . . 125 ARG C . 51550 1 581 . 1 . 1 130 130 ARG CA C 13 56.104 0.01 . 1 . . 409 . . 125 ARG CA . 51550 1 582 . 1 . 1 130 130 ARG CB C 13 30.798 . . 1 . . 412 . . 125 ARG CB . 51550 1 583 . 1 . 1 130 130 ARG N N 15 121.566 0.016 . 1 . . 22 . . 125 ARG N . 51550 1 584 . 1 . 1 131 131 GLN H H 1 7.976 0.0 . 1 . . 67 . . 126 GLN H . 51550 1 585 . 1 . 1 131 131 GLN C C 13 180.573 . . 1 . . 407 . . 126 GLN C . 51550 1 586 . 1 . 1 131 131 GLN CA C 13 57.423 . . 1 . . 410 . . 126 GLN CA . 51550 1 587 . 1 . 1 131 131 GLN CB C 13 30.569 . . 1 . . 411 . . 126 GLN CB . 51550 1 588 . 1 . 1 131 131 GLN N N 15 126.678 0.001 . 1 . . 68 . . 126 GLN N . 51550 1 stop_ save_