data_26331 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 26331 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for tyrosine kinase A domain 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-06-15 _Entry.Accession_date 2022-07-31 _Entry.Last_release_date 2022-07-31 _Entry.Original_release_date 2022-07-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Rika Suzuki . . . . 26331 2 Toru Ekimoto . . . . 26331 3 Ayami Tosaka . . . . 26331 4 Maho Takahashi . . . . 26331 5 Masayoshi Sakakura . . . . 26331 6 Tsutomu Yamane . . . . 26331 7 Yumiko Mizukoshi . . . . 26331 8 Koh Takeuchi . . . 0000-0002-6227-4627 26331 9 Ichio Simada . . . 0000-0001-9864-3407 26331 10 Mitsunori Ikeguchi . . . 0000-0003-3199-6931 26331 11 Hideo Takahash . . . . 26331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 26331 '15N chemical shifts' 91 26331 '1H chemical shifts' 91 26331 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-08-11 . original BMRB . 26331 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 26331 _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 ; Dynamic Interaction Modes of Peptide Ligands Revealed by Integrated Use of NMR and REST Simulations ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Chem. Inf. Model.' _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 Rika Suzuki . . . . 26331 1 2 Toru Ekimoto . . . . 26331 1 3 Ayami Tosaka . . . . 26331 1 4 Maho Takahashi . . . . 26331 1 5 Masayoshi Sakakura . . . . 26331 1 6 Tsutomu Yamane . . . . 26331 1 7 Yumiko Mizukoshi . . . . 26331 1 8 Koh Takeuchi . . . . 26331 1 9 Ichio Simada . . . . 26331 1 10 Mitsunori Ikeguchi . . . . 26331 1 11 Hideo Takahash . . . . 26331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26331 _Assembly.ID 1 _Assembly.Name TrkAd5 _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 TrkAd5 1 $entity_1 . . yes native no no . . . 26331 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 25 25 SG . 1 entity_1 1 CYS 70 70 SG . . . 25 CYS . . . . 70 CYS . 26331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 26331 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TrkAd5 _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 ; GSHMVNVSFPASVQLHTAVE MHHWCIPFSVDGQPAPSLRW LFNGSVLNETSFIFTEFLEP AANETVRHGCLRLNQPTHVN NGNYTLLAANPFGQASASIM AAFMDNPF ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 GLY . 26331 1 2 2 SER . 26331 1 3 3 HIS . 26331 1 4 4 MET . 26331 1 5 5 VAL . 26331 1 6 6 ASN . 26331 1 7 7 VAL . 26331 1 8 8 SER . 26331 1 9 9 PHE . 26331 1 10 10 PRO . 26331 1 11 11 ALA . 26331 1 12 12 SER . 26331 1 13 13 VAL . 26331 1 14 14 GLN . 26331 1 15 15 LEU . 26331 1 16 16 HIS . 26331 1 17 17 THR . 26331 1 18 18 ALA . 26331 1 19 19 VAL . 26331 1 20 20 GLU . 26331 1 21 21 MET . 26331 1 22 22 HIS . 26331 1 23 23 HIS . 26331 1 24 24 TRP . 26331 1 25 25 CYS . 26331 1 26 26 ILE . 26331 1 27 27 PRO . 26331 1 28 28 PHE . 26331 1 29 29 SER . 26331 1 30 30 VAL . 26331 1 31 31 ASP . 26331 1 32 32 GLY . 26331 1 33 33 GLN . 26331 1 34 34 PRO . 26331 1 35 35 ALA . 26331 1 36 36 PRO . 26331 1 37 37 SER . 26331 1 38 38 LEU . 26331 1 39 39 ARG . 26331 1 40 40 TRP . 26331 1 41 41 LEU . 26331 1 42 42 PHE . 26331 1 43 43 ASN . 26331 1 44 44 GLY . 26331 1 45 45 SER . 26331 1 46 46 VAL . 26331 1 47 47 LEU . 26331 1 48 48 ASN . 26331 1 49 49 GLU . 26331 1 50 50 THR . 26331 1 51 51 SER . 26331 1 52 52 PHE . 26331 1 53 53 ILE . 26331 1 54 54 PHE . 26331 1 55 55 THR . 26331 1 56 56 GLU . 26331 1 57 57 PHE . 26331 1 58 58 LEU . 26331 1 59 59 GLU . 26331 1 60 60 PRO . 26331 1 61 61 ALA . 26331 1 62 62 ALA . 26331 1 63 63 ASN . 26331 1 64 64 GLU . 26331 1 65 65 THR . 26331 1 66 66 VAL . 26331 1 67 67 ARG . 26331 1 68 68 HIS . 26331 1 69 69 GLY . 26331 1 70 70 CYS . 26331 1 71 71 LEU . 26331 1 72 72 ARG . 26331 1 73 73 LEU . 26331 1 74 74 ASN . 26331 1 75 75 GLN . 26331 1 76 76 PRO . 26331 1 77 77 THR . 26331 1 78 78 HIS . 26331 1 79 79 VAL . 26331 1 80 80 ASN . 26331 1 81 81 ASN . 26331 1 82 82 GLY . 26331 1 83 83 ASN . 26331 1 84 84 TYR . 26331 1 85 85 THR . 26331 1 86 86 LEU . 26331 1 87 87 LEU . 26331 1 88 88 ALA . 26331 1 89 89 ALA . 26331 1 90 90 ASN . 26331 1 91 91 PRO . 26331 1 92 92 PHE . 26331 1 93 93 GLY . 26331 1 94 94 GLN . 26331 1 95 95 ALA . 26331 1 96 96 SER . 26331 1 97 97 ALA . 26331 1 98 98 SER . 26331 1 99 99 ILE . 26331 1 100 100 MET . 26331 1 101 101 ALA . 26331 1 102 102 ALA . 26331 1 103 103 PHE . 26331 1 104 104 MET . 26331 1 105 105 ASP . 26331 1 106 106 ASN . 26331 1 107 107 PRO . 26331 1 108 108 PHE . 26331 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 26331 1 . SER 2 2 26331 1 . HIS 3 3 26331 1 . MET 4 4 26331 1 . VAL 5 5 26331 1 . ASN 6 6 26331 1 . VAL 7 7 26331 1 . SER 8 8 26331 1 . PHE 9 9 26331 1 . PRO 10 10 26331 1 . ALA 11 11 26331 1 . SER 12 12 26331 1 . VAL 13 13 26331 1 . GLN 14 14 26331 1 . LEU 15 15 26331 1 . HIS 16 16 26331 1 . THR 17 17 26331 1 . ALA 18 18 26331 1 . VAL 19 19 26331 1 . GLU 20 20 26331 1 . MET 21 21 26331 1 . HIS 22 22 26331 1 . HIS 23 23 26331 1 . TRP 24 24 26331 1 . CYS 25 25 26331 1 . ILE 26 26 26331 1 . PRO 27 27 26331 1 . PHE 28 28 26331 1 . SER 29 29 26331 1 . VAL 30 30 26331 1 . ASP 31 31 26331 1 . GLY 32 32 26331 1 . GLN 33 33 26331 1 . PRO 34 34 26331 1 . ALA 35 35 26331 1 . PRO 36 36 26331 1 . SER 37 37 26331 1 . LEU 38 38 26331 1 . ARG 39 39 26331 1 . TRP 40 40 26331 1 . LEU 41 41 26331 1 . PHE 42 42 26331 1 . ASN 43 43 26331 1 . GLY 44 44 26331 1 . SER 45 45 26331 1 . VAL 46 46 26331 1 . LEU 47 47 26331 1 . ASN 48 48 26331 1 . GLU 49 49 26331 1 . THR 50 50 26331 1 . SER 51 51 26331 1 . PHE 52 52 26331 1 . ILE 53 53 26331 1 . PHE 54 54 26331 1 . THR 55 55 26331 1 . GLU 56 56 26331 1 . PHE 57 57 26331 1 . LEU 58 58 26331 1 . GLU 59 59 26331 1 . PRO 60 60 26331 1 . ALA 61 61 26331 1 . ALA 62 62 26331 1 . ASN 63 63 26331 1 . GLU 64 64 26331 1 . THR 65 65 26331 1 . VAL 66 66 26331 1 . ARG 67 67 26331 1 . HIS 68 68 26331 1 . GLY 69 69 26331 1 . CYS 70 70 26331 1 . LEU 71 71 26331 1 . ARG 72 72 26331 1 . LEU 73 73 26331 1 . ASN 74 74 26331 1 . GLN 75 75 26331 1 . PRO 76 76 26331 1 . THR 77 77 26331 1 . HIS 78 78 26331 1 . VAL 79 79 26331 1 . ASN 80 80 26331 1 . ASN 81 81 26331 1 . GLY 82 82 26331 1 . ASN 83 83 26331 1 . TYR 84 84 26331 1 . THR 85 85 26331 1 . LEU 86 86 26331 1 . LEU 87 87 26331 1 . ALA 88 88 26331 1 . ALA 89 89 26331 1 . ASN 90 90 26331 1 . PRO 91 91 26331 1 . PHE 92 92 26331 1 . GLY 93 93 26331 1 . GLN 94 94 26331 1 . ALA 95 95 26331 1 . SER 96 96 26331 1 . ALA 97 97 26331 1 . SER 98 98 26331 1 . ILE 99 99 26331 1 . MET 100 100 26331 1 . ALA 101 101 26331 1 . ALA 102 102 26331 1 . PHE 103 103 26331 1 . MET 104 104 26331 1 . ASP 105 105 26331 1 . ASN 106 106 26331 1 . PRO 107 107 26331 1 . PHE 108 108 26331 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 26331 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26331 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 26331 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 . . . . . plasmid . . pet21a . . . 26331 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26331 _Sample.ID 1 _Sample.Name TrkAd5 _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 TrkAd5 '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . . protein 0.2 0.3 mM . . . . 26331 1 2 DSS 'natural abundance' . . . . . . 2 . . mM . . . . 26331 1 3 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 26331 1 4 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 26331 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 26331 1 6 D2O [U-2H] . . . . . solvent 5 . . % . . . . 26331 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 26331 _Sample_condition_list.ID 1 _Sample_condition_list.Name TrkAd5 _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 7.0 . pH 26331 1 temperature 298 . K 26331 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 26331 _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' . 26331 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 26331 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name spectrometer_1 _NMR_spectrometer.Details 'The cryo probe is equipped with to this spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 26331 _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 . . . . . . . . . . . . . . . . . 26331 1 2 '3D HNCACB' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26331 1 3 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26331 1 4 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26331 1 5 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 26331 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 26331 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26331 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26331 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26331 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 26331 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.007 _Assigned_chem_shift_list.Chem_shift_13C_err 0.344 _Assigned_chem_shift_list.Chem_shift_15N_err 0.406 _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 2 '3D HNCACB' 1 $sample_1 isotropic 26331 1 3 '3D HNCA' 1 $sample_1 isotropic 26331 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 26331 1 5 '3D HN(CO)CA' 1 $sample_1 isotropic 26331 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 . . 26331 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 5 5 VAL H H 1 8.121 0.007 . 1 . . . . . 5 VAL H . 26331 1 2 . 1 . 1 5 5 VAL CA C 13 62.189 0.344 . 1 . . . . . 5 VAL CA . 26331 1 3 . 1 . 1 5 5 VAL CB C 13 32.53 0.344 . 1 . . . . . 5 VAL CB . 26331 1 4 . 1 . 1 5 5 VAL N N 15 121.16 0.406 . 1 . . . . . 5 VAL N . 26331 1 5 . 1 . 1 6 6 ASN H H 1 8.495 0.007 . 1 . . . . . 6 ASN H . 26331 1 6 . 1 . 1 6 6 ASN CA C 13 53.25 0.344 . 1 . . . . . 6 ASN CA . 26331 1 7 . 1 . 1 6 6 ASN CB C 13 38.517 0.344 . 1 . . . . . 6 ASN CB . 26331 1 8 . 1 . 1 6 6 ASN N N 15 121.728 0.406 . 1 . . . . . 6 ASN N . 26331 1 9 . 1 . 1 7 7 VAL H H 1 7.958 0.007 . 1 . . . . . 7 VAL H . 26331 1 10 . 1 . 1 7 7 VAL CA C 13 61.891 0.344 . 1 . . . . . 7 VAL CA . 26331 1 11 . 1 . 1 7 7 VAL CB C 13 32.798 0.344 . 1 . . . . . 7 VAL CB . 26331 1 12 . 1 . 1 7 7 VAL N N 15 119.677 0.406 . 1 . . . . . 7 VAL N . 26331 1 13 . 1 . 1 8 8 SER H H 1 8.021 0.007 . 1 . . . . . 8 SER H . 26331 1 14 . 1 . 1 8 8 SER CA C 13 57.235 0.344 . 1 . . . . . 8 SER CA . 26331 1 15 . 1 . 1 8 8 SER CB C 13 64.265 0.344 . 1 . . . . . 8 SER CB . 26331 1 16 . 1 . 1 8 8 SER N N 15 118.594 0.406 . 1 . . . . . 8 SER N . 26331 1 17 . 1 . 1 9 9 PHE H H 1 9.047 0.007 . 1 . . . . . 9 PHE H . 26331 1 18 . 1 . 1 9 9 PHE CA C 13 55.695 0.344 . 1 . . . . . 9 PHE CA . 26331 1 19 . 1 . 1 9 9 PHE CB C 13 36.949 0.344 . 1 . . . . . 9 PHE CB . 26331 1 20 . 1 . 1 9 9 PHE N N 15 118.663 0.406 . 1 . . . . . 9 PHE N . 26331 1 21 . 1 . 1 11 11 ALA H H 1 6.734 0.007 . 1 . . . . . 11 ALA H . 26331 1 22 . 1 . 1 11 11 ALA CA C 13 51.29 0.344 . 1 . . . . . 11 ALA CA . 26331 1 23 . 1 . 1 11 11 ALA CB C 13 20.27 0.344 . 1 . . . . . 11 ALA CB . 26331 1 24 . 1 . 1 11 11 ALA N N 15 119.064 0.406 . 1 . . . . . 11 ALA N . 26331 1 25 . 1 . 1 12 12 SER H H 1 8.296 0.007 . 1 . . . . . 12 SER H . 26331 1 26 . 1 . 1 12 12 SER CA C 13 57.101 0.344 . 1 . . . . . 12 SER CA . 26331 1 27 . 1 . 1 12 12 SER CB C 13 65.47 0.344 . 1 . . . . . 12 SER CB . 26331 1 28 . 1 . 1 12 12 SER N N 15 113.038 0.406 . 1 . . . . . 12 SER N . 26331 1 29 . 1 . 1 13 13 VAL H H 1 8.47 0.007 . 1 . . . . . 13 VAL H . 26331 1 30 . 1 . 1 13 13 VAL CA C 13 60.114 0.344 . 1 . . . . . 13 VAL CA . 26331 1 31 . 1 . 1 13 13 VAL CB C 13 35.677 0.344 . 1 . . . . . 13 VAL CB . 26331 1 32 . 1 . 1 13 13 VAL N N 15 117.573 0.406 . 1 . . . . . 13 VAL N . 26331 1 33 . 1 . 1 15 15 LEU H H 1 8.275 0.007 . 1 . . . . . 15 LEU H . 26331 1 34 . 1 . 1 15 15 LEU CA C 13 53.332 0.344 . 1 . . . . . 15 LEU CA . 26331 1 35 . 1 . 1 15 15 LEU CB C 13 46.657 0.344 . 1 . . . . . 15 LEU CB . 26331 1 36 . 1 . 1 15 15 LEU N N 15 122.586 0.406 . 1 . . . . . 15 LEU N . 26331 1 37 . 1 . 1 16 16 HIS H H 1 8.189 0.007 . 1 . . . . . 16 HIS H . 26331 1 38 . 1 . 1 16 16 HIS CA C 13 54.061 0.344 . 1 . . . . . 16 HIS CA . 26331 1 39 . 1 . 1 16 16 HIS CB C 13 32.84 0.344 . 1 . . . . . 16 HIS CB . 26331 1 40 . 1 . 1 16 16 HIS N N 15 121.564 0.406 . 1 . . . . . 16 HIS N . 26331 1 41 . 1 . 1 17 17 THR H H 1 7.682 0.007 . 1 . . . . . 17 THR H . 26331 1 42 . 1 . 1 17 17 THR CA C 13 63.252 0.344 . 1 . . . . . 17 THR CA . 26331 1 43 . 1 . 1 17 17 THR CB C 13 69.942 0.344 . 1 . . . . . 17 THR CB . 26331 1 44 . 1 . 1 17 17 THR N N 15 110.334 0.406 . 1 . . . . . 17 THR N . 26331 1 45 . 1 . 1 18 18 ALA H H 1 8.388 0.007 . 1 . . . . . 18 ALA H . 26331 1 46 . 1 . 1 18 18 ALA CA C 13 52.682 0.344 . 1 . . . . . 18 ALA CA . 26331 1 47 . 1 . 1 18 18 ALA CB C 13 19.274 0.344 . 1 . . . . . 18 ALA CB . 26331 1 48 . 1 . 1 18 18 ALA N N 15 124.065 0.406 . 1 . . . . . 18 ALA N . 26331 1 49 . 1 . 1 19 19 VAL H H 1 9.276 0.007 . 1 . . . . . 19 VAL H . 26331 1 50 . 1 . 1 19 19 VAL CA C 13 54.222 0.344 . 1 . . . . . 19 VAL CA . 26331 1 51 . 1 . 1 19 19 VAL CB C 13 28.446 0.344 . 1 . . . . . 19 VAL CB . 26331 1 52 . 1 . 1 19 19 VAL N N 15 118.907 0.406 . 1 . . . . . 19 VAL N . 26331 1 53 . 1 . 1 20 20 GLU H H 1 8.221 0.007 . 1 . . . . . 20 GLU H . 26331 1 54 . 1 . 1 20 20 GLU CA C 13 55.829 0.344 . 1 . . . . . 20 GLU CA . 26331 1 55 . 1 . 1 20 20 GLU CB C 13 28.781 0.344 . 1 . . . . . 20 GLU CB . 26331 1 56 . 1 . 1 20 20 GLU N N 15 128.598 0.406 . 1 . . . . . 20 GLU N . 26331 1 57 . 1 . 1 21 21 MET H H 1 8.186 0.007 . 1 . . . . . 21 MET H . 26331 1 58 . 1 . 1 21 21 MET CA C 13 54.939 0.344 . 1 . . . . . 21 MET CA . 26331 1 59 . 1 . 1 21 21 MET CB C 13 31.258 0.344 . 1 . . . . . 21 MET CB . 26331 1 60 . 1 . 1 21 21 MET N N 15 128.984 0.406 . 1 . . . . . 21 MET N . 26331 1 61 . 1 . 1 22 22 HIS H H 1 8.078 0.007 . 1 . . . . . 22 HIS H . 26331 1 62 . 1 . 1 22 22 HIS CA C 13 59.712 0.344 . 1 . . . . . 22 HIS CA . 26331 1 63 . 1 . 1 22 22 HIS CB C 13 32.262 0.344 . 1 . . . . . 22 HIS CB . 26331 1 64 . 1 . 1 22 22 HIS N N 15 122.658 0.406 . 1 . . . . . 22 HIS N . 26331 1 65 . 1 . 1 23 23 HIS H H 1 7.466 0.007 . 1 . . . . . 23 HIS H . 26331 1 66 . 1 . 1 23 23 HIS CA C 13 55.145 0.344 . 1 . . . . . 23 HIS CA . 26331 1 67 . 1 . 1 23 23 HIS CB C 13 31.927 0.344 . 1 . . . . . 23 HIS CB . 26331 1 68 . 1 . 1 23 23 HIS N N 15 116.02 0.406 . 1 . . . . . 23 HIS N . 26331 1 69 . 1 . 1 24 24 TRP H H 1 8.736 0.007 . 1 . . . . . 24 TRP H . 26331 1 70 . 1 . 1 24 24 TRP CA C 13 58.318 0.344 . 1 . . . . . 24 TRP CA . 26331 1 71 . 1 . 1 24 24 TRP CB C 13 31.118 0.344 . 1 . . . . . 24 TRP CB . 26331 1 72 . 1 . 1 24 24 TRP N N 15 119.067 0.406 . 1 . . . . . 24 TRP N . 26331 1 73 . 1 . 1 25 25 CYS H H 1 9.143 0.007 . 1 . . . . . 25 CYS H . 26331 1 74 . 1 . 1 25 25 CYS CA C 13 54.669 0.344 . 1 . . . . . 25 CYS CA . 26331 1 75 . 1 . 1 25 25 CYS CB C 13 50.941 0.344 . 1 . . . . . 25 CYS CB . 26331 1 76 . 1 . 1 25 25 CYS N N 15 122.033 0.406 . 1 . . . . . 25 CYS N . 26331 1 77 . 1 . 1 26 26 ILE H H 1 9.343 0.007 . 1 . . . . . 26 ILE H . 26331 1 78 . 1 . 1 26 26 ILE CA C 13 60.047 0.344 . 1 . . . . . 26 ILE CA . 26331 1 79 . 1 . 1 26 26 ILE CB C 13 37.666 0.344 . 1 . . . . . 26 ILE CB . 26331 1 80 . 1 . 1 26 26 ILE N N 15 130.112 0.406 . 1 . . . . . 26 ILE N . 26331 1 81 . 1 . 1 28 28 PHE H H 1 8.362 0.007 . 1 . . . . . 28 PHE H . 26331 1 82 . 1 . 1 28 28 PHE CA C 13 55.628 0.344 . 1 . . . . . 28 PHE CA . 26331 1 83 . 1 . 1 28 28 PHE CB C 13 45.117 0.344 . 1 . . . . . 28 PHE CB . 26331 1 84 . 1 . 1 28 28 PHE N N 15 116.406 0.406 . 1 . . . . . 28 PHE N . 26331 1 85 . 1 . 1 29 29 SER H H 1 8.917 0.007 . 1 . . . . . 29 SER H . 26331 1 86 . 1 . 1 29 29 SER CA C 13 57.904 0.344 . 1 . . . . . 29 SER CA . 26331 1 87 . 1 . 1 29 29 SER CB C 13 65.537 0.344 . 1 . . . . . 29 SER CB . 26331 1 88 . 1 . 1 29 29 SER N N 15 115.169 0.406 . 1 . . . . . 29 SER N . 26331 1 89 . 1 . 1 30 30 VAL H H 1 9.396 0.007 . 1 . . . . . 30 VAL H . 26331 1 90 . 1 . 1 30 30 VAL CA C 13 58.994 0.344 . 1 . . . . . 30 VAL CA . 26331 1 91 . 1 . 1 30 30 VAL CB C 13 35.273 0.344 . 1 . . . . . 30 VAL CB . 26331 1 92 . 1 . 1 30 30 VAL N N 15 121.274 0.406 . 1 . . . . . 30 VAL N . 26331 1 93 . 1 . 1 31 31 ASP H H 1 8.785 0.007 . 1 . . . . . 31 ASP H . 26331 1 94 . 1 . 1 31 31 ASP CA C 13 50.817 0.344 . 1 . . . . . 31 ASP CA . 26331 1 95 . 1 . 1 31 31 ASP CB C 13 44.802 0.344 . 1 . . . . . 31 ASP CB . 26331 1 96 . 1 . 1 31 31 ASP N N 15 127.865 0.406 . 1 . . . . . 31 ASP N . 26331 1 97 . 1 . 1 32 32 GLY H H 1 8.722 0.007 . 1 . . . . . 32 GLY H . 26331 1 98 . 1 . 1 32 32 GLY CA C 13 44.514 0.344 . 1 . . . . . 32 GLY CA . 26331 1 99 . 1 . 1 32 32 GLY N N 15 107.799 0.406 . 1 . . . . . 32 GLY N . 26331 1 100 . 1 . 1 33 33 GLN H H 1 6.766 0.007 . 1 . . . . . 33 GLN H . 26331 1 101 . 1 . 1 33 33 GLN CA C 13 52.95 0.344 . 1 . . . . . 33 GLN CA . 26331 1 102 . 1 . 1 33 33 GLN CB C 13 32.865 0.344 . 1 . . . . . 33 GLN CB . 26331 1 103 . 1 . 1 33 33 GLN N N 15 121.564 0.406 . 1 . . . . . 33 GLN N . 26331 1 104 . 1 . 1 35 35 ALA H H 1 8.756 0.007 . 1 . . . . . 35 ALA H . 26331 1 105 . 1 . 1 35 35 ALA CA C 13 50.473 0.344 . 1 . . . . . 35 ALA CA . 26331 1 106 . 1 . 1 35 35 ALA CB C 13 17.198 0.344 . 1 . . . . . 35 ALA CB . 26331 1 107 . 1 . 1 35 35 ALA N N 15 125.196 0.406 . 1 . . . . . 35 ALA N . 26331 1 108 . 1 . 1 37 37 SER H H 1 8.852 0.007 . 1 . . . . . 37 SER H . 26331 1 109 . 1 . 1 37 37 SER CA C 13 57.235 0.344 . 1 . . . . . 37 SER CA . 26331 1 110 . 1 . 1 37 37 SER CB C 13 64.265 0.344 . 1 . . . . . 37 SER CB . 26331 1 111 . 1 . 1 37 37 SER N N 15 115.78 0.406 . 1 . . . . . 37 SER N . 26331 1 112 . 1 . 1 38 38 LEU H H 1 8.637 0.007 . 1 . . . . . 38 LEU H . 26331 1 113 . 1 . 1 38 38 LEU CA C 13 54.313 0.344 . 1 . . . . . 38 LEU CA . 26331 1 114 . 1 . 1 38 38 LEU CB C 13 44.246 0.344 . 1 . . . . . 38 LEU CB . 26331 1 115 . 1 . 1 38 38 LEU N N 15 122.166 0.406 . 1 . . . . . 38 LEU N . 26331 1 116 . 1 . 1 39 39 ARG H H 1 8.457 0.007 . 1 . . . . . 39 ARG H . 26331 1 117 . 1 . 1 39 39 ARG CA C 13 55.762 0.344 . 1 . . . . . 39 ARG CA . 26331 1 118 . 1 . 1 39 39 ARG CB C 13 33.4 0.344 . 1 . . . . . 39 ARG CB . 26331 1 119 . 1 . 1 39 39 ARG N N 15 121.876 0.406 . 1 . . . . . 39 ARG N . 26331 1 120 . 1 . 1 40 40 TRP H H 1 8.9 0.007 . 1 . . . . . 40 TRP H . 26331 1 121 . 1 . 1 40 40 TRP CA C 13 55.695 0.344 . 1 . . . . . 40 TRP CA . 26331 1 122 . 1 . 1 40 40 TRP CB C 13 33.043 0.344 . 1 . . . . . 40 TRP CB . 26331 1 123 . 1 . 1 40 40 TRP N N 15 122.297 0.406 . 1 . . . . . 40 TRP N . 26331 1 124 . 1 . 1 41 41 LEU H H 1 9.9 0.007 . 1 . . . . . 41 LEU H . 26331 1 125 . 1 . 1 41 41 LEU CA C 13 52.883 0.344 . 1 . . . . . 41 LEU CA . 26331 1 126 . 1 . 1 41 41 LEU CB C 13 44.514 0.344 . 1 . . . . . 41 LEU CB . 26331 1 127 . 1 . 1 41 41 LEU N N 15 119.375 0.406 . 1 . . . . . 41 LEU N . 26331 1 128 . 1 . 1 42 42 PHE H H 1 9.225 0.007 . 1 . . . . . 42 PHE H . 26331 1 129 . 1 . 1 42 42 PHE CA C 13 54.825 0.344 . 1 . . . . . 42 PHE CA . 26331 1 130 . 1 . 1 42 42 PHE CB C 13 41.355 0.344 . 1 . . . . . 42 PHE CB . 26331 1 131 . 1 . 1 42 42 PHE N N 15 119.826 0.406 . 1 . . . . . 42 PHE N . 26331 1 132 . 1 . 1 43 43 ASN H H 1 9.496 0.007 . 1 . . . . . 43 ASN H . 26331 1 133 . 1 . 1 43 43 ASN CA C 13 54.367 0.344 . 1 . . . . . 43 ASN CA . 26331 1 134 . 1 . 1 43 43 ASN CB C 13 35.877 0.344 . 1 . . . . . 43 ASN CB . 26331 1 135 . 1 . 1 43 43 ASN N N 15 127.839 0.406 . 1 . . . . . 43 ASN N . 26331 1 136 . 1 . 1 44 44 GLY H H 1 8.473 0.007 . 1 . . . . . 44 GLY H . 26331 1 137 . 1 . 1 44 44 GLY CA C 13 45.49 0.344 . 1 . . . . . 44 GLY CA . 26331 1 138 . 1 . 1 44 44 GLY N N 15 101.898 0.406 . 1 . . . . . 44 GLY N . 26331 1 139 . 1 . 1 45 45 SER H H 1 7.748 0.007 . 1 . . . . . 45 SER H . 26331 1 140 . 1 . 1 45 45 SER CA C 13 56.833 0.344 . 1 . . . . . 45 SER CA . 26331 1 141 . 1 . 1 45 45 SER CB C 13 65.336 0.344 . 1 . . . . . 45 SER CB . 26331 1 142 . 1 . 1 45 45 SER N N 15 116.562 0.406 . 1 . . . . . 45 SER N . 26331 1 143 . 1 . 1 46 46 VAL H H 1 8.688 0.007 . 1 . . . . . 46 VAL H . 26331 1 144 . 1 . 1 46 46 VAL CA C 13 64.733 0.344 . 1 . . . . . 46 VAL CA . 26331 1 145 . 1 . 1 46 46 VAL CB C 13 31.876 0.344 . 1 . . . . . 46 VAL CB . 26331 1 146 . 1 . 1 46 46 VAL N N 15 124.221 0.406 . 1 . . . . . 46 VAL N . 26331 1 147 . 1 . 1 47 47 LEU H H 1 8.606 0.007 . 1 . . . . . 47 LEU H . 26331 1 148 . 1 . 1 47 47 LEU CA C 13 53.754 0.344 . 1 . . . . . 47 LEU CA . 26331 1 149 . 1 . 1 47 47 LEU CB C 13 42.706 0.344 . 1 . . . . . 47 LEU CB . 26331 1 150 . 1 . 1 47 47 LEU N N 15 130.942 0.406 . 1 . . . . . 47 LEU N . 26331 1 151 . 1 . 1 48 48 ASN H H 1 8.675 0.007 . 1 . . . . . 48 ASN H . 26331 1 152 . 1 . 1 48 48 ASN CA C 13 52.682 0.344 . 1 . . . . . 48 ASN CA . 26331 1 153 . 1 . 1 48 48 ASN CB C 13 38.787 0.344 . 1 . . . . . 48 ASN CB . 26331 1 154 . 1 . 1 48 48 ASN N N 15 126.277 0.406 . 1 . . . . . 48 ASN N . 26331 1 155 . 1 . 1 49 49 GLU H H 1 8.722 0.007 . 1 . . . . . 49 GLU H . 26331 1 156 . 1 . 1 49 49 GLU CA C 13 57.637 0.344 . 1 . . . . . 49 GLU CA . 26331 1 157 . 1 . 1 49 49 GLU CB C 13 29.785 0.344 . 1 . . . . . 49 GLU CB . 26331 1 158 . 1 . 1 49 49 GLU N N 15 124.128 0.406 . 1 . . . . . 49 GLU N . 26331 1 159 . 1 . 1 50 50 THR H H 1 9.369 0.007 . 1 . . . . . 50 THR H . 26331 1 160 . 1 . 1 50 50 THR CA C 13 59.913 0.344 . 1 . . . . . 50 THR CA . 26331 1 161 . 1 . 1 50 50 THR CB C 13 73.37 0.344 . 1 . . . . . 50 THR CB . 26331 1 162 . 1 . 1 50 50 THR N N 15 114.217 0.406 . 1 . . . . . 50 THR N . 26331 1 163 . 1 . 1 52 52 PHE H H 1 8.134 0.007 . 1 . . . . . 52 PHE H . 26331 1 164 . 1 . 1 52 52 PHE CA C 13 57.971 0.344 . 1 . . . . . 52 PHE CA . 26331 1 165 . 1 . 1 52 52 PHE CB C 13 40.832 0.344 . 1 . . . . . 52 PHE CB . 26331 1 166 . 1 . 1 52 52 PHE N N 15 116.121 0.406 . 1 . . . . . 52 PHE N . 26331 1 167 . 1 . 1 53 53 ILE H H 1 7.204 0.007 . 1 . . . . . 53 ILE H . 26331 1 168 . 1 . 1 53 53 ILE CA C 13 60.783 0.344 . 1 . . . . . 53 ILE CA . 26331 1 169 . 1 . 1 53 53 ILE CB C 13 40.631 0.344 . 1 . . . . . 53 ILE CB . 26331 1 170 . 1 . 1 53 53 ILE N N 15 122.814 0.406 . 1 . . . . . 53 ILE N . 26331 1 171 . 1 . 1 54 54 PHE H H 1 8.294 0.007 . 1 . . . . . 54 PHE H . 26331 1 172 . 1 . 1 54 54 PHE CA C 13 55.695 0.344 . 1 . . . . . 54 PHE CA . 26331 1 173 . 1 . 1 54 54 PHE CB C 13 39.868 0.344 . 1 . . . . . 54 PHE CB . 26331 1 174 . 1 . 1 54 54 PHE N N 15 120.128 0.406 . 1 . . . . . 54 PHE N . 26331 1 175 . 1 . 1 55 55 THR H H 1 8.906 0.007 . 1 . . . . . 55 THR H . 26331 1 176 . 1 . 1 55 55 THR CA C 13 64.8 0.344 . 1 . . . . . 55 THR CA . 26331 1 177 . 1 . 1 55 55 THR CB C 13 68.282 0.344 . 1 . . . . . 55 THR CB . 26331 1 178 . 1 . 1 55 55 THR N N 15 119.219 0.406 . 1 . . . . . 55 THR N . 26331 1 179 . 1 . 1 56 56 GLU H H 1 9.315 0.007 . 1 . . . . . 56 GLU H . 26331 1 180 . 1 . 1 56 56 GLU CA C 13 54.691 0.344 . 1 . . . . . 56 GLU CA . 26331 1 181 . 1 . 1 56 56 GLU CB C 13 33.4 0.344 . 1 . . . . . 56 GLU CB . 26331 1 182 . 1 . 1 56 56 GLU N N 15 129.379 0.406 . 1 . . . . . 56 GLU N . 26331 1 183 . 1 . 1 57 57 PHE H H 1 9.138 0.007 . 1 . . . . . 57 PHE H . 26331 1 184 . 1 . 1 57 57 PHE CA C 13 58.775 0.344 . 1 . . . . . 57 PHE CA . 26331 1 185 . 1 . 1 57 57 PHE CB C 13 40.966 0.344 . 1 . . . . . 57 PHE CB . 26331 1 186 . 1 . 1 57 57 PHE N N 15 124.534 0.406 . 1 . . . . . 57 PHE N . 26331 1 187 . 1 . 1 58 58 LEU H H 1 8.838 0.007 . 1 . . . . . 58 LEU H . 26331 1 188 . 1 . 1 58 58 LEU CA C 13 54.088 0.344 . 1 . . . . . 58 LEU CA . 26331 1 189 . 1 . 1 58 58 LEU CB C 13 41.501 0.344 . 1 . . . . . 58 LEU CB . 26331 1 190 . 1 . 1 58 58 LEU N N 15 123.127 0.406 . 1 . . . . . 58 LEU N . 26331 1 191 . 1 . 1 59 59 GLU H H 1 8.675 0.007 . 1 . . . . . 59 GLU H . 26331 1 192 . 1 . 1 59 59 GLU CA C 13 54.958 0.344 . 1 . . . . . 59 GLU CA . 26331 1 193 . 1 . 1 59 59 GLU CB C 13 28.915 0.344 . 1 . . . . . 59 GLU CB . 26331 1 194 . 1 . 1 59 59 GLU N N 15 123.873 0.406 . 1 . . . . . 59 GLU N . 26331 1 195 . 1 . 1 61 61 ALA H H 1 8.692 0.007 . 1 . . . . . 61 ALA H . 26331 1 196 . 1 . 1 61 61 ALA CA C 13 51.184 0.344 . 1 . . . . . 61 ALA CA . 26331 1 197 . 1 . 1 61 61 ALA CB C 13 19.676 0.344 . 1 . . . . . 61 ALA CB . 26331 1 198 . 1 . 1 61 61 ALA N N 15 125.242 0.406 . 1 . . . . . 61 ALA N . 26331 1 199 . 1 . 1 62 62 ALA H H 1 8.579 0.007 . 1 . . . . . 62 ALA H . 26331 1 200 . 1 . 1 62 62 ALA CA C 13 53.017 0.344 . 1 . . . . . 62 ALA CA . 26331 1 201 . 1 . 1 62 62 ALA CB C 13 18.537 0.344 . 1 . . . . . 62 ALA CB . 26331 1 202 . 1 . 1 62 62 ALA N N 15 123.283 0.406 . 1 . . . . . 62 ALA N . 26331 1 203 . 1 . 1 63 63 ASN H H 1 8.606 0.007 . 1 . . . . . 63 ASN H . 26331 1 204 . 1 . 1 63 63 ASN CA C 13 53.285 0.344 . 1 . . . . . 63 ASN CA . 26331 1 205 . 1 . 1 63 63 ASN CB C 13 37.752 0.344 . 1 . . . . . 63 ASN CB . 26331 1 206 . 1 . 1 63 63 ASN N N 15 114.374 0.406 . 1 . . . . . 63 ASN N . 26331 1 207 . 1 . 1 64 64 GLU H H 1 7.82 0.007 . 1 . . . . . 64 GLU H . 26331 1 208 . 1 . 1 64 64 GLU CA C 13 55.293 0.344 . 1 . . . . . 64 GLU CA . 26331 1 209 . 1 . 1 64 64 GLU CB C 13 31.726 0.344 . 1 . . . . . 64 GLU CB . 26331 1 210 . 1 . 1 64 64 GLU N N 15 118.102 0.406 . 1 . . . . . 64 GLU N . 26331 1 211 . 1 . 1 65 65 THR H H 1 8.744 0.007 . 1 . . . . . 65 THR H . 26331 1 212 . 1 . 1 65 65 THR CA C 13 62.873 0.344 . 1 . . . . . 65 THR CA . 26331 1 213 . 1 . 1 65 65 THR CB C 13 68.519 0.344 . 1 . . . . . 65 THR CB . 26331 1 214 . 1 . 1 65 65 THR N N 15 111.932 0.406 . 1 . . . . . 65 THR N . 26331 1 215 . 1 . 1 66 66 VAL H H 1 7.412 0.007 . 1 . . . . . 66 VAL H . 26331 1 216 . 1 . 1 66 66 VAL CA C 13 61.854 0.344 . 1 . . . . . 66 VAL CA . 26331 1 217 . 1 . 1 66 66 VAL CB C 13 31.526 0.344 . 1 . . . . . 66 VAL CB . 26331 1 218 . 1 . 1 66 66 VAL N N 15 124.48 0.406 . 1 . . . . . 66 VAL N . 26331 1 219 . 1 . 1 67 67 ARG H H 1 8.844 0.007 . 1 . . . . . 67 ARG H . 26331 1 220 . 1 . 1 67 67 ARG CA C 13 54.021 0.344 . 1 . . . . . 67 ARG CA . 26331 1 221 . 1 . 1 67 67 ARG CB C 13 32.932 0.344 . 1 . . . . . 67 ARG CB . 26331 1 222 . 1 . 1 67 67 ARG N N 15 125.628 0.406 . 1 . . . . . 67 ARG N . 26331 1 223 . 1 . 1 68 68 HIS H H 1 9.008 0.007 . 1 . . . . . 68 HIS H . 26331 1 224 . 1 . 1 68 68 HIS CA C 13 53.753 0.344 . 1 . . . . . 68 HIS CA . 26331 1 225 . 1 . 1 68 68 HIS CB C 13 33.534 0.344 . 1 . . . . . 68 HIS CB . 26331 1 226 . 1 . 1 68 68 HIS N N 15 121.072 0.406 . 1 . . . . . 68 HIS N . 26331 1 227 . 1 . 1 69 69 GLY H H 1 7.53 0.007 . 1 . . . . . 69 GLY H . 26331 1 228 . 1 . 1 69 69 GLY CA C 13 45.987 0.344 . 1 . . . . . 69 GLY CA . 26331 1 229 . 1 . 1 69 69 GLY N N 15 106.376 0.406 . 1 . . . . . 69 GLY N . 26331 1 230 . 1 . 1 70 70 CYS H H 1 8.818 0.007 . 1 . . . . . 70 CYS H . 26331 1 231 . 1 . 1 70 70 CYS CA C 13 54.624 0.344 . 1 . . . . . 70 CYS CA . 26331 1 232 . 1 . 1 70 70 CYS CB C 13 47.235 0.344 . 1 . . . . . 70 CYS CB . 26331 1 233 . 1 . 1 70 70 CYS N N 15 117.414 0.406 . 1 . . . . . 70 CYS N . 26331 1 234 . 1 . 1 71 71 LEU H H 1 8.992 0.007 . 1 . . . . . 71 LEU H . 26331 1 235 . 1 . 1 71 71 LEU CA C 13 56.705 0.344 . 1 . . . . . 71 LEU CA . 26331 1 236 . 1 . 1 71 71 LEU CB C 13 39.489 0.344 . 1 . . . . . 71 LEU CB . 26331 1 237 . 1 . 1 71 71 LEU N N 15 124.243 0.406 . 1 . . . . . 71 LEU N . 26331 1 238 . 1 . 1 72 72 ARG H H 1 9.024 0.007 . 1 . . . . . 72 ARG H . 26331 1 239 . 1 . 1 72 72 ARG CA C 13 54.155 0.344 . 1 . . . . . 72 ARG CA . 26331 1 240 . 1 . 1 72 72 ARG CB C 13 29.852 0.344 . 1 . . . . . 72 ARG CB . 26331 1 241 . 1 . 1 72 72 ARG N N 15 132.494 0.406 . 1 . . . . . 72 ARG N . 26331 1 242 . 1 . 1 77 77 THR H H 1 8.424 0.007 . 1 . . . . . 77 THR H . 26331 1 243 . 1 . 1 77 77 THR CA C 13 59.4 0.344 . 1 . . . . . 77 THR CA . 26331 1 244 . 1 . 1 77 77 THR CB C 13 71.632 0.344 . 1 . . . . . 77 THR CB . 26331 1 245 . 1 . 1 77 77 THR N N 15 109.043 0.406 . 1 . . . . . 77 THR N . 26331 1 246 . 1 . 1 78 78 HIS H H 1 8.361 0.007 . 1 . . . . . 78 HIS H . 26331 1 247 . 1 . 1 78 78 HIS CA C 13 58.589 0.344 . 1 . . . . . 78 HIS CA . 26331 1 248 . 1 . 1 78 78 HIS CB C 13 29.591 0.344 . 1 . . . . . 78 HIS CB . 26331 1 249 . 1 . 1 78 78 HIS N N 15 117.91 0.406 . 1 . . . . . 78 HIS N . 26331 1 250 . 1 . 1 79 79 VAL H H 1 6.887 0.007 . 1 . . . . . 79 VAL H . 26331 1 251 . 1 . 1 79 79 VAL CA C 13 63.387 0.344 . 1 . . . . . 79 VAL CA . 26331 1 252 . 1 . 1 79 79 VAL CB C 13 30.339 0.344 . 1 . . . . . 79 VAL CB . 26331 1 253 . 1 . 1 79 79 VAL N N 15 117.187 0.406 . 1 . . . . . 79 VAL N . 26331 1 254 . 1 . 1 80 80 ASN H H 1 7.885 0.007 . 1 . . . . . 80 ASN H . 26331 1 255 . 1 . 1 80 80 ASN CA C 13 53.753 0.344 . 1 . . . . . 80 ASN CA . 26331 1 256 . 1 . 1 80 80 ASN CB C 13 39.426 0.344 . 1 . . . . . 80 ASN CB . 26331 1 257 . 1 . 1 80 80 ASN N N 15 114.999 0.406 . 1 . . . . . 80 ASN N . 26331 1 258 . 1 . 1 81 81 ASN H H 1 7.827 0.007 . 1 . . . . . 81 ASN H . 26331 1 259 . 1 . 1 81 81 ASN CA C 13 53.419 0.344 . 1 . . . . . 81 ASN CA . 26331 1 260 . 1 . 1 81 81 ASN CB C 13 37.35 0.344 . 1 . . . . . 81 ASN CB . 26331 1 261 . 1 . 1 81 81 ASN N N 15 122.553 0.406 . 1 . . . . . 81 ASN N . 26331 1 262 . 1 . 1 82 82 GLY H H 1 9.015 0.007 . 1 . . . . . 82 GLY H . 26331 1 263 . 1 . 1 82 82 GLY CA C 13 45.585 0.344 . 1 . . . . . 82 GLY CA . 26331 1 264 . 1 . 1 82 82 GLY N N 15 108.91 0.406 . 1 . . . . . 82 GLY N . 26331 1 265 . 1 . 1 83 83 ASN H H 1 8.092 0.007 . 1 . . . . . 83 ASN H . 26331 1 266 . 1 . 1 83 83 ASN CA C 13 52.844 0.344 . 1 . . . . . 83 ASN CA . 26331 1 267 . 1 . 1 83 83 ASN CB C 13 40.43 0.344 . 1 . . . . . 83 ASN CB . 26331 1 268 . 1 . 1 83 83 ASN N N 15 119.299 0.406 . 1 . . . . . 83 ASN N . 26331 1 269 . 1 . 1 84 84 TYR H H 1 9.735 0.007 . 1 . . . . . 84 TYR H . 26331 1 270 . 1 . 1 84 84 TYR CA C 13 58.183 0.344 . 1 . . . . . 84 TYR CA . 26331 1 271 . 1 . 1 84 84 TYR N N 15 129.32 0.406 . 1 . . . . . 84 TYR N . 26331 1 272 . 1 . 1 85 85 THR H H 1 9.306 0.007 . 1 . . . . . 85 THR H . 26331 1 273 . 1 . 1 85 85 THR CA C 13 60.442 0.344 . 1 . . . . . 85 THR CA . 26331 1 274 . 1 . 1 85 85 THR CB C 13 72.236 0.344 . 1 . . . . . 85 THR CB . 26331 1 275 . 1 . 1 85 85 THR N N 15 118.639 0.406 . 1 . . . . . 85 THR N . 26331 1 276 . 1 . 1 86 86 LEU H H 1 8.846 0.007 . 1 . . . . . 86 LEU H . 26331 1 277 . 1 . 1 86 86 LEU CA C 13 53.151 0.344 . 1 . . . . . 86 LEU CA . 26331 1 278 . 1 . 1 86 86 LEU CB C 13 42.773 0.344 . 1 . . . . . 86 LEU CB . 26331 1 279 . 1 . 1 86 86 LEU N N 15 128.622 0.406 . 1 . . . . . 86 LEU N . 26331 1 280 . 1 . 1 87 87 LEU H H 1 8.675 0.007 . 1 . . . . . 87 LEU H . 26331 1 281 . 1 . 1 87 87 LEU CA C 13 53.115 0.344 . 1 . . . . . 87 LEU CA . 26331 1 282 . 1 . 1 87 87 LEU CB C 13 42.977 0.344 . 1 . . . . . 87 LEU CB . 26331 1 283 . 1 . 1 87 87 LEU N N 15 125.155 0.406 . 1 . . . . . 87 LEU N . 26331 1 284 . 1 . 1 88 88 ALA H H 1 8.757 0.007 . 1 . . . . . 88 ALA H . 26331 1 285 . 1 . 1 88 88 ALA CA C 13 49.468 0.344 . 1 . . . . . 88 ALA CA . 26331 1 286 . 1 . 1 88 88 ALA CB C 13 22.487 0.344 . 1 . . . . . 88 ALA CB . 26331 1 287 . 1 . 1 88 88 ALA N N 15 125.302 0.406 . 1 . . . . . 88 ALA N . 26331 1 288 . 1 . 1 89 89 ALA H H 1 8.3 0.007 . 1 . . . . . 89 ALA H . 26331 1 289 . 1 . 1 89 89 ALA CA C 13 51.276 0.344 . 1 . . . . . 89 ALA CA . 26331 1 290 . 1 . 1 89 89 ALA CB C 13 22.688 0.344 . 1 . . . . . 89 ALA CB . 26331 1 291 . 1 . 1 89 89 ALA N N 15 122.896 0.406 . 1 . . . . . 89 ALA N . 26331 1 292 . 1 . 1 90 90 ASN H H 1 8.767 0.007 . 1 . . . . . 90 ASN H . 26331 1 293 . 1 . 1 90 90 ASN CA C 13 50.941 0.344 . 1 . . . . . 90 ASN CA . 26331 1 294 . 1 . 1 90 90 ASN CB C 13 40.832 0.344 . 1 . . . . . 90 ASN CB . 26331 1 295 . 1 . 1 90 90 ASN N N 15 124.379 0.406 . 1 . . . . . 90 ASN N . 26331 1 296 . 1 . 1 92 92 PHE H H 1 7.464 0.007 . 1 . . . . . 92 PHE H . 26331 1 297 . 1 . 1 92 92 PHE CA C 13 57.913 0.344 . 1 . . . . . 92 PHE CA . 26331 1 298 . 1 . 1 92 92 PHE CB C 13 38.89 0.344 . 1 . . . . . 92 PHE CB . 26331 1 299 . 1 . 1 92 92 PHE N N 15 112.821 0.406 . 1 . . . . . 92 PHE N . 26331 1 300 . 1 . 1 93 93 GLY H H 1 7.962 0.007 . 1 . . . . . 93 GLY H . 26331 1 301 . 1 . 1 93 93 GLY CA C 13 45.49 0.344 . 1 . . . . . 93 GLY CA . 26331 1 302 . 1 . 1 93 93 GLY N N 15 108.332 0.406 . 1 . . . . . 93 GLY N . 26331 1 303 . 1 . 1 94 94 GLN H H 1 8.466 0.007 . 1 . . . . . 94 GLN H . 26331 1 304 . 1 . 1 94 94 GLN CA C 13 53.954 0.344 . 1 . . . . . 94 GLN CA . 26331 1 305 . 1 . 1 94 94 GLN CB C 13 31.86 0.344 . 1 . . . . . 94 GLN CB . 26331 1 306 . 1 . 1 94 94 GLN N N 15 118.381 0.406 . 1 . . . . . 94 GLN N . 26331 1 307 . 1 . 1 95 95 ALA H H 1 9.217 0.007 . 1 . . . . . 95 ALA H . 26331 1 308 . 1 . 1 95 95 ALA CA C 13 50.741 0.344 . 1 . . . . . 95 ALA CA . 26331 1 309 . 1 . 1 95 95 ALA CB C 13 23.09 0.344 . 1 . . . . . 95 ALA CB . 26331 1 310 . 1 . 1 95 95 ALA N N 15 127.298 0.406 . 1 . . . . . 95 ALA N . 26331 1 311 . 1 . 1 96 96 SER H H 1 8.419 0.007 . 1 . . . . . 96 SER H . 26331 1 312 . 1 . 1 96 96 SER CA C 13 56.358 0.344 . 1 . . . . . 96 SER CA . 26331 1 313 . 1 . 1 96 96 SER CB C 13 66.876 0.344 . 1 . . . . . 96 SER CB . 26331 1 314 . 1 . 1 96 96 SER N N 15 112.808 0.406 . 1 . . . . . 96 SER N . 26331 1 315 . 1 . 1 97 97 ALA H H 1 8.28 0.007 . 1 . . . . . 97 ALA H . 26331 1 316 . 1 . 1 97 97 ALA CA C 13 51.544 0.344 . 1 . . . . . 97 ALA CA . 26331 1 317 . 1 . 1 97 97 ALA CB C 13 22.889 0.344 . 1 . . . . . 97 ALA CB . 26331 1 318 . 1 . 1 97 97 ALA N N 15 123.283 0.406 . 1 . . . . . 97 ALA N . 26331 1 319 . 1 . 1 98 98 SER H H 1 8.478 0.007 . 1 . . . . . 98 SER H . 26331 1 320 . 1 . 1 98 98 SER CA C 13 57.44 0.344 . 1 . . . . . 98 SER CA . 26331 1 321 . 1 . 1 98 98 SER CB C 13 67.304 0.344 . 1 . . . . . 98 SER CB . 26331 1 322 . 1 . 1 98 98 SER N N 15 113.7 0.406 . 1 . . . . . 98 SER N . 26331 1 323 . 1 . 1 99 99 ILE H H 1 9.436 0.007 . 1 . . . . . 99 ILE H . 26331 1 324 . 1 . 1 99 99 ILE CA C 13 59.578 0.344 . 1 . . . . . 99 ILE CA . 26331 1 325 . 1 . 1 99 99 ILE CB C 13 43.644 0.344 . 1 . . . . . 99 ILE CB . 26331 1 326 . 1 . 1 99 99 ILE N N 15 123.008 0.406 . 1 . . . . . 99 ILE N . 26331 1 327 . 1 . 1 100 100 MET H H 1 8.169 0.007 . 1 . . . . . 100 MET H . 26331 1 328 . 1 . 1 100 100 MET CA C 13 53.887 0.344 . 1 . . . . . 100 MET CA . 26331 1 329 . 1 . 1 100 100 MET N N 15 123.681 0.406 . 1 . . . . . 100 MET N . 26331 1 330 . 1 . 1 101 101 ALA H H 1 9.32 0.007 . 1 . . . . . 101 ALA H . 26331 1 331 . 1 . 1 101 101 ALA CA C 13 51.209 0.344 . 1 . . . . . 101 ALA CA . 26331 1 332 . 1 . 1 101 101 ALA CB C 13 22.956 0.344 . 1 . . . . . 101 ALA CB . 26331 1 333 . 1 . 1 101 101 ALA N N 15 127.479 0.406 . 1 . . . . . 101 ALA N . 26331 1 334 . 1 . 1 102 102 ALA H H 1 7.823 0.007 . 1 . . . . . 102 ALA H . 26331 1 335 . 1 . 1 102 102 ALA CA C 13 50.473 0.344 . 1 . . . . . 102 ALA CA . 26331 1 336 . 1 . 1 102 102 ALA CB C 13 20.613 0.344 . 1 . . . . . 102 ALA CB . 26331 1 337 . 1 . 1 102 102 ALA N N 15 124.639 0.406 . 1 . . . . . 102 ALA N . 26331 1 338 . 1 . 1 103 103 PHE H H 1 8.281 0.007 . 1 . . . . . 103 PHE H . 26331 1 339 . 1 . 1 103 103 PHE CA C 13 58.048 0.344 . 1 . . . . . 103 PHE CA . 26331 1 340 . 1 . 1 103 103 PHE CB C 13 40.028 0.344 . 1 . . . . . 103 PHE CB . 26331 1 341 . 1 . 1 103 103 PHE N N 15 120.122 0.406 . 1 . . . . . 103 PHE N . 26331 1 342 . 1 . 1 104 104 MET H H 1 7.394 0.007 . 1 . . . . . 104 MET H . 26331 1 343 . 1 . 1 104 104 MET CA C 13 54.423 0.344 . 1 . . . . . 104 MET CA . 26331 1 344 . 1 . 1 104 104 MET CB C 13 34.873 0.344 . 1 . . . . . 104 MET CB . 26331 1 345 . 1 . 1 104 104 MET N N 15 115.468 0.406 . 1 . . . . . 104 MET N . 26331 1 346 . 1 . 1 105 105 ASP H H 1 8.628 0.007 . 1 . . . . . 105 ASP H . 26331 1 347 . 1 . 1 105 105 ASP CA C 13 54.356 0.344 . 1 . . . . . 105 ASP CA . 26331 1 348 . 1 . 1 105 105 ASP CB C 13 40.832 0.344 . 1 . . . . . 105 ASP CB . 26331 1 349 . 1 . 1 105 105 ASP N N 15 122.317 0.406 . 1 . . . . . 105 ASP N . 26331 1 350 . 1 . 1 106 106 ASN H H 1 8.538 0.007 . 1 . . . . . 106 ASN H . 26331 1 351 . 1 . 1 106 106 ASN CA C 13 51.142 0.344 . 1 . . . . . 106 ASN CA . 26331 1 352 . 1 . 1 106 106 ASN CB C 13 38.355 0.344 . 1 . . . . . 106 ASN CB . 26331 1 353 . 1 . 1 106 106 ASN N N 15 120.291 0.406 . 1 . . . . . 106 ASN N . 26331 1 354 . 1 . 1 108 108 PHE H H 1 7.433 0.007 . 1 . . . . . 108 PHE H . 26331 1 355 . 1 . 1 108 108 PHE CA C 13 58.708 0.344 . 1 . . . . . 108 PHE CA . 26331 1 356 . 1 . 1 108 108 PHE CB C 13 39.894 0.344 . 1 . . . . . 108 PHE CB . 26331 1 357 . 1 . 1 108 108 PHE N N 15 123.987 0.406 . 1 . . . . . 108 PHE N . 26331 1 stop_ save_