data_51057 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51057 _Entry.Title ; RBM5 RRM1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-12 _Entry.Accession_date 2021-08-12 _Entry.Last_release_date 2021-08-12 _Entry.Original_release_date 2021-08-12 _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 . _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 Komal Soni . . . . 51057 2 'Pravin Kumar Ankush' Jagtap . . . . 51057 3 Michael Sattler . . . . 51057 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51057 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 181 51057 '15N chemical shifts' 86 51057 '1H chemical shifts' 86 51057 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 . . 2023-09-06 2021-08-12 update BMRB 'update entry citation' 51057 1 . . 2023-06-01 2021-08-12 original author 'original release' 51057 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50187 'RBM5 RRM1-Zf1, wild type' 51057 BMRB 50191 'RBM5 RRM1-ZnF1 (C191G)' 51057 BMRB 51058 'RBM5 RRM1-ZnF1-RRM2 (C191G)' 51057 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51057 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37454201 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for specific RNA recognition by the alternative splicing factor RBM5 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4233 _Citation.Page_last 4233 _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 Komal Soni K. . . . 51057 1 2 'Pravin Kumar Ankush' Jagtap . . . . 51057 1 3 Santiago Martinez-Lumbreras S. . . . 51057 1 4 Sophie Bonnal S. . . . 51057 1 5 Arie Geerlof A. . . . 51057 1 6 Ralf Stehle R. . . . 51057 1 7 Bernd Simon B. . . . 51057 1 8 Juan Valcarcel J. . . . 51057 1 9 Michael Sattler M. . . . 51057 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51057 _Assembly.ID 1 _Assembly.Name 'RBM5 RRM1' _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 RRM1 1 $entity_1 . . yes native no no . . . 51057 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51057 _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 ; GAMGERESKTIMLRGLPTTI TESDIREMMESFEGPQPADV RLMKRKTGVSRGFAFVEFYH LQDATSWMEANQKKLVIQGK HIAMHYSNPRPKFED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 90,GLY 91,ALA 92,MET ...... 182,PHE 183,GLU 184,ASP ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P52756 . RBM5 . . . . . . . . . . . . . . 51057 1 stop_ 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 90 GLY . 51057 1 2 91 ALA . 51057 1 3 92 MET . 51057 1 4 93 GLY . 51057 1 5 94 GLU . 51057 1 6 95 ARG . 51057 1 7 96 GLU . 51057 1 8 97 SER . 51057 1 9 98 LYS . 51057 1 10 99 THR . 51057 1 11 100 ILE . 51057 1 12 101 MET . 51057 1 13 102 LEU . 51057 1 14 103 ARG . 51057 1 15 104 GLY . 51057 1 16 105 LEU . 51057 1 17 106 PRO . 51057 1 18 107 THR . 51057 1 19 108 THR . 51057 1 20 109 ILE . 51057 1 21 110 THR . 51057 1 22 111 GLU . 51057 1 23 112 SER . 51057 1 24 113 ASP . 51057 1 25 114 ILE . 51057 1 26 115 ARG . 51057 1 27 116 GLU . 51057 1 28 117 MET . 51057 1 29 118 MET . 51057 1 30 119 GLU . 51057 1 31 120 SER . 51057 1 32 121 PHE . 51057 1 33 122 GLU . 51057 1 34 123 GLY . 51057 1 35 124 PRO . 51057 1 36 125 GLN . 51057 1 37 126 PRO . 51057 1 38 127 ALA . 51057 1 39 128 ASP . 51057 1 40 129 VAL . 51057 1 41 130 ARG . 51057 1 42 131 LEU . 51057 1 43 132 MET . 51057 1 44 133 LYS . 51057 1 45 134 ARG . 51057 1 46 135 LYS . 51057 1 47 136 THR . 51057 1 48 137 GLY . 51057 1 49 138 VAL . 51057 1 50 139 SER . 51057 1 51 140 ARG . 51057 1 52 141 GLY . 51057 1 53 142 PHE . 51057 1 54 143 ALA . 51057 1 55 144 PHE . 51057 1 56 145 VAL . 51057 1 57 146 GLU . 51057 1 58 147 PHE . 51057 1 59 148 TYR . 51057 1 60 149 HIS . 51057 1 61 150 LEU . 51057 1 62 151 GLN . 51057 1 63 152 ASP . 51057 1 64 153 ALA . 51057 1 65 154 THR . 51057 1 66 155 SER . 51057 1 67 156 TRP . 51057 1 68 157 MET . 51057 1 69 158 GLU . 51057 1 70 159 ALA . 51057 1 71 160 ASN . 51057 1 72 161 GLN . 51057 1 73 162 LYS . 51057 1 74 163 LYS . 51057 1 75 164 LEU . 51057 1 76 165 VAL . 51057 1 77 166 ILE . 51057 1 78 167 GLN . 51057 1 79 168 GLY . 51057 1 80 169 LYS . 51057 1 81 170 HIS . 51057 1 82 171 ILE . 51057 1 83 172 ALA . 51057 1 84 173 MET . 51057 1 85 174 HIS . 51057 1 86 175 TYR . 51057 1 87 176 SER . 51057 1 88 177 ASN . 51057 1 89 178 PRO . 51057 1 90 179 ARG . 51057 1 91 180 PRO . 51057 1 92 181 LYS . 51057 1 93 182 PHE . 51057 1 94 183 GLU . 51057 1 95 184 ASP . 51057 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 51057 1 . ALA 2 2 51057 1 . MET 3 3 51057 1 . GLY 4 4 51057 1 . GLU 5 5 51057 1 . ARG 6 6 51057 1 . GLU 7 7 51057 1 . SER 8 8 51057 1 . LYS 9 9 51057 1 . THR 10 10 51057 1 . ILE 11 11 51057 1 . MET 12 12 51057 1 . LEU 13 13 51057 1 . ARG 14 14 51057 1 . GLY 15 15 51057 1 . LEU 16 16 51057 1 . PRO 17 17 51057 1 . THR 18 18 51057 1 . THR 19 19 51057 1 . ILE 20 20 51057 1 . THR 21 21 51057 1 . GLU 22 22 51057 1 . SER 23 23 51057 1 . ASP 24 24 51057 1 . ILE 25 25 51057 1 . ARG 26 26 51057 1 . GLU 27 27 51057 1 . MET 28 28 51057 1 . MET 29 29 51057 1 . GLU 30 30 51057 1 . SER 31 31 51057 1 . PHE 32 32 51057 1 . GLU 33 33 51057 1 . GLY 34 34 51057 1 . PRO 35 35 51057 1 . GLN 36 36 51057 1 . PRO 37 37 51057 1 . ALA 38 38 51057 1 . ASP 39 39 51057 1 . VAL 40 40 51057 1 . ARG 41 41 51057 1 . LEU 42 42 51057 1 . MET 43 43 51057 1 . LYS 44 44 51057 1 . ARG 45 45 51057 1 . LYS 46 46 51057 1 . THR 47 47 51057 1 . GLY 48 48 51057 1 . VAL 49 49 51057 1 . SER 50 50 51057 1 . ARG 51 51 51057 1 . GLY 52 52 51057 1 . PHE 53 53 51057 1 . ALA 54 54 51057 1 . PHE 55 55 51057 1 . VAL 56 56 51057 1 . GLU 57 57 51057 1 . PHE 58 58 51057 1 . TYR 59 59 51057 1 . HIS 60 60 51057 1 . LEU 61 61 51057 1 . GLN 62 62 51057 1 . ASP 63 63 51057 1 . ALA 64 64 51057 1 . THR 65 65 51057 1 . SER 66 66 51057 1 . TRP 67 67 51057 1 . MET 68 68 51057 1 . GLU 69 69 51057 1 . ALA 70 70 51057 1 . ASN 71 71 51057 1 . GLN 72 72 51057 1 . LYS 73 73 51057 1 . LYS 74 74 51057 1 . LEU 75 75 51057 1 . VAL 76 76 51057 1 . ILE 77 77 51057 1 . GLN 78 78 51057 1 . GLY 79 79 51057 1 . LYS 80 80 51057 1 . HIS 81 81 51057 1 . ILE 82 82 51057 1 . ALA 83 83 51057 1 . MET 84 84 51057 1 . HIS 85 85 51057 1 . TYR 86 86 51057 1 . SER 87 87 51057 1 . ASN 88 88 51057 1 . PRO 89 89 51057 1 . ARG 90 90 51057 1 . PRO 91 91 51057 1 . LYS 92 92 51057 1 . PHE 93 93 51057 1 . GLU 94 94 51057 1 . ASP 95 95 51057 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 51057 _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 . . . . . . . . . . . . . 51057 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 51057 _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 . . pETM11 . . 'Vector is modified with N-His-Thioredoxin-TEV site' 51057 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51057 _Sample.ID 1 _Sample.Name RRM1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RBM5 RRM1' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51057 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51057 1 3 MES 'natural abundance' . . . . . . 20 . . mM . . . . 51057 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51057 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 51057 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Normal conditions' _Sample_condition_list.Details '20 mM MES pH 6.5, 100 mM NaCl' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 51057 1 pH 6.5 . pH 51057 1 temperature 298 . K 51057 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51057 _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' . 51057 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51057 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51057 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51057 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51057 3 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 51057 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 51057 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51057 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51057 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51057 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51057 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51057 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 51057 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RRM1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect . . . . . . 51057 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51057 1 N 15 water protons . . . . ppm 4.7 internal indirect . . . . . . 51057 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 51057 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RRM1 _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 2 '2D 1H-15N HSQC' . . . 51057 1 3 '3D CBCACONH' . . . 51057 1 4 '3D HNCACB' . . . 51057 1 5 '3D HNCA' . . . 51057 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 . . 51057 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 2 2 ALA CA C 13 52.611 0.000 . . . . . . . 91 ALA CA . 51057 1 2 . 1 . 1 2 2 ALA CB C 13 19.429 0.000 . . . . . . . 91 ALA CB . 51057 1 3 . 1 . 1 3 3 MET H H 1 8.599 0.003 . . . . . . . 92 MET HN . 51057 1 4 . 1 . 1 3 3 MET CA C 13 55.790 0.006 . . . . . . . 92 MET CA . 51057 1 5 . 1 . 1 3 3 MET CB C 13 32.551 0.000 . . . . . . . 92 MET CB . 51057 1 6 . 1 . 1 3 3 MET N N 15 119.741 0.036 . . . . . . . 92 MET N . 51057 1 7 . 1 . 1 4 4 GLY H H 1 8.438 0.003 . . . . . . . 93 GLY HN . 51057 1 8 . 1 . 1 4 4 GLY CA C 13 45.354 0.007 . . . . . . . 93 GLY CA . 51057 1 9 . 1 . 1 4 4 GLY N N 15 110.258 0.036 . . . . . . . 93 GLY N . 51057 1 10 . 1 . 1 5 5 GLU H H 1 8.265 0.002 . . . . . . . 94 GLU HN . 51057 1 11 . 1 . 1 5 5 GLU CA C 13 56.435 0.056 . . . . . . . 94 GLU CA . 51057 1 12 . 1 . 1 5 5 GLU CB C 13 30.736 0.036 . . . . . . . 94 GLU CB . 51057 1 13 . 1 . 1 5 5 GLU N N 15 120.863 0.018 . . . . . . . 94 GLU N . 51057 1 14 . 1 . 1 6 6 ARG H H 1 8.289 0.002 . . . . . . . 95 ARG HN . 51057 1 15 . 1 . 1 6 6 ARG CA C 13 55.908 0.058 . . . . . . . 95 ARG CA . 51057 1 16 . 1 . 1 6 6 ARG CB C 13 30.609 0.130 . . . . . . . 95 ARG CB . 51057 1 17 . 1 . 1 6 6 ARG N N 15 122.374 0.017 . . . . . . . 95 ARG N . 51057 1 18 . 1 . 1 7 7 GLU H H 1 8.302 0.002 . . . . . . . 96 GLU HN . 51057 1 19 . 1 . 1 7 7 GLU CA C 13 56.939 0.009 . . . . . . . 96 GLU CA . 51057 1 20 . 1 . 1 7 7 GLU CB C 13 29.638 0.019 . . . . . . . 96 GLU CB . 51057 1 21 . 1 . 1 7 7 GLU N N 15 120.587 0.018 . . . . . . . 96 GLU N . 51057 1 22 . 1 . 1 8 8 SER H H 1 6.603 0.007 . . . . . . . 97 SER HN . 51057 1 23 . 1 . 1 8 8 SER CA C 13 55.921 0.040 . . . . . . . 97 SER CA . 51057 1 24 . 1 . 1 8 8 SER CB C 13 65.754 0.031 . . . . . . . 97 SER CB . 51057 1 25 . 1 . 1 8 8 SER N N 15 115.764 0.052 . . . . . . . 97 SER N . 51057 1 26 . 1 . 1 9 9 LYS H H 1 8.074 0.003 . . . . . . . 98 LYS HN . 51057 1 27 . 1 . 1 9 9 LYS CA C 13 57.575 0.031 . . . . . . . 98 LYS CA . 51057 1 28 . 1 . 1 9 9 LYS CB C 13 32.659 0.076 . . . . . . . 98 LYS CB . 51057 1 29 . 1 . 1 9 9 LYS N N 15 116.709 0.038 . . . . . . . 98 LYS N . 51057 1 30 . 1 . 1 10 10 THR H H 1 8.384 0.006 . . . . . . . 99 THR HN . 51057 1 31 . 1 . 1 10 10 THR CA C 13 62.035 0.086 . . . . . . . 99 THR CA . 51057 1 32 . 1 . 1 10 10 THR CB C 13 69.886 0.065 . . . . . . . 99 THR CB . 51057 1 33 . 1 . 1 10 10 THR N N 15 115.617 0.058 . . . . . . . 99 THR N . 51057 1 34 . 1 . 1 11 11 ILE H H 1 9.449 0.003 . . . . . . . 100 ILE HN . 51057 1 35 . 1 . 1 11 11 ILE CA C 13 59.332 0.034 . . . . . . . 100 ILE CA . 51057 1 36 . 1 . 1 11 11 ILE CB C 13 41.556 0.006 . . . . . . . 100 ILE CB . 51057 1 37 . 1 . 1 11 11 ILE N N 15 126.390 0.038 . . . . . . . 100 ILE N . 51057 1 38 . 1 . 1 12 12 MET H H 1 9.415 0.005 . . . . . . . 101 MET HN . 51057 1 39 . 1 . 1 12 12 MET CA C 13 53.920 0.004 . . . . . . . 101 MET CA . 51057 1 40 . 1 . 1 12 12 MET CB C 13 36.005 0.030 . . . . . . . 101 MET CB . 51057 1 41 . 1 . 1 12 12 MET N N 15 126.389 0.046 . . . . . . . 101 MET N . 51057 1 42 . 1 . 1 13 13 LEU H H 1 8.996 0.004 . . . . . . . 102 LEU HN . 51057 1 43 . 1 . 1 13 13 LEU CA C 13 53.162 0.030 . . . . . . . 102 LEU CA . 51057 1 44 . 1 . 1 13 13 LEU CB C 13 43.233 0.020 . . . . . . . 102 LEU CB . 51057 1 45 . 1 . 1 13 13 LEU N N 15 125.650 0.095 . . . . . . . 102 LEU N . 51057 1 46 . 1 . 1 14 14 ARG H H 1 8.681 0.004 . . . . . . . 103 ARG HN . 51057 1 47 . 1 . 1 14 14 ARG CA C 13 54.888 0.070 . . . . . . . 103 ARG CA . 51057 1 48 . 1 . 1 14 14 ARG CB C 13 34.158 0.061 . . . . . . . 103 ARG CB . 51057 1 49 . 1 . 1 14 14 ARG N N 15 119.871 0.020 . . . . . . . 103 ARG N . 51057 1 50 . 1 . 1 15 15 GLY H H 1 8.245 0.004 . . . . . . . 104 GLY HN . 51057 1 51 . 1 . 1 15 15 GLY CA C 13 45.734 0.006 . . . . . . . 104 GLY CA . 51057 1 52 . 1 . 1 15 15 GLY N N 15 109.207 0.035 . . . . . . . 104 GLY N . 51057 1 53 . 1 . 1 16 16 LEU H H 1 8.174 0.002 . . . . . . . 105 LEU HN . 51057 1 54 . 1 . 1 16 16 LEU CA C 13 52.952 0.000 . . . . . . . 105 LEU CA . 51057 1 55 . 1 . 1 16 16 LEU CB C 13 41.527 0.000 . . . . . . . 105 LEU CB . 51057 1 56 . 1 . 1 16 16 LEU N N 15 119.484 0.043 . . . . . . . 105 LEU N . 51057 1 57 . 1 . 1 17 17 PRO CA C 13 62.517 0.014 . . . . . . . 106 PRO CA . 51057 1 58 . 1 . 1 17 17 PRO CB C 13 32.210 0.020 . . . . . . . 106 PRO CB . 51057 1 59 . 1 . 1 18 18 THR H H 1 8.955 0.010 . . . . . . . 107 THR HN . 51057 1 60 . 1 . 1 18 18 THR CA C 13 64.835 0.011 . . . . . . . 107 THR CA . 51057 1 61 . 1 . 1 18 18 THR CB C 13 68.519 0.004 . . . . . . . 107 THR CB . 51057 1 62 . 1 . 1 18 18 THR N N 15 115.868 0.081 . . . . . . . 107 THR N . 51057 1 63 . 1 . 1 19 19 THR H H 1 7.110 0.003 . . . . . . . 108 THR HN . 51057 1 64 . 1 . 1 19 19 THR CA C 13 61.556 0.017 . . . . . . . 108 THR CA . 51057 1 65 . 1 . 1 19 19 THR CB C 13 68.806 0.058 . . . . . . . 108 THR CB . 51057 1 66 . 1 . 1 19 19 THR N N 15 106.840 0.017 . . . . . . . 108 THR N . 51057 1 67 . 1 . 1 20 20 ILE H H 1 6.961 0.003 . . . . . . . 109 ILE HN . 51057 1 68 . 1 . 1 20 20 ILE CA C 13 59.525 0.032 . . . . . . . 109 ILE CA . 51057 1 69 . 1 . 1 20 20 ILE CB C 13 37.324 0.040 . . . . . . . 109 ILE CB . 51057 1 70 . 1 . 1 20 20 ILE N N 15 121.196 0.035 . . . . . . . 109 ILE N . 51057 1 71 . 1 . 1 21 21 THR H H 1 9.192 0.005 . . . . . . . 110 THR HN . 51057 1 72 . 1 . 1 21 21 THR CA C 13 60.201 0.020 . . . . . . . 110 THR CA . 51057 1 73 . 1 . 1 21 21 THR CB C 13 72.321 0.047 . . . . . . . 110 THR CB . 51057 1 74 . 1 . 1 21 21 THR N N 15 119.164 0.036 . . . . . . . 110 THR N . 51057 1 75 . 1 . 1 22 22 GLU H H 1 9.387 0.003 . . . . . . . 111 GLU HN . 51057 1 76 . 1 . 1 22 22 GLU CA C 13 60.841 0.027 . . . . . . . 111 GLU CA . 51057 1 77 . 1 . 1 22 22 GLU CB C 13 30.014 0.049 . . . . . . . 111 GLU CB . 51057 1 78 . 1 . 1 22 22 GLU N N 15 120.764 0.033 . . . . . . . 111 GLU N . 51057 1 79 . 1 . 1 23 23 SER H H 1 8.301 0.003 . . . . . . . 112 SER HN . 51057 1 80 . 1 . 1 23 23 SER CA C 13 61.805 0.018 . . . . . . . 112 SER CA . 51057 1 81 . 1 . 1 23 23 SER N N 15 113.667 0.039 . . . . . . . 112 SER N . 51057 1 82 . 1 . 1 24 24 ASP H H 1 7.660 0.002 . . . . . . . 113 ASP HN . 51057 1 83 . 1 . 1 24 24 ASP CA C 13 57.569 0.026 . . . . . . . 113 ASP CA . 51057 1 84 . 1 . 1 24 24 ASP CB C 13 41.207 0.037 . . . . . . . 113 ASP CB . 51057 1 85 . 1 . 1 24 24 ASP N N 15 122.048 0.031 . . . . . . . 113 ASP N . 51057 1 86 . 1 . 1 25 25 ILE H H 1 7.691 0.004 . . . . . . . 114 ILE HN . 51057 1 87 . 1 . 1 25 25 ILE CA C 13 64.496 0.078 . . . . . . . 114 ILE CA . 51057 1 88 . 1 . 1 25 25 ILE CB C 13 37.544 0.060 . . . . . . . 114 ILE CB . 51057 1 89 . 1 . 1 25 25 ILE N N 15 119.153 0.020 . . . . . . . 114 ILE N . 51057 1 90 . 1 . 1 26 26 ARG H H 1 8.194 0.003 . . . . . . . 115 ARG HN . 51057 1 91 . 1 . 1 26 26 ARG CA C 13 60.551 0.033 . . . . . . . 115 ARG CA . 51057 1 92 . 1 . 1 26 26 ARG CB C 13 29.810 0.079 . . . . . . . 115 ARG CB . 51057 1 93 . 1 . 1 26 26 ARG N N 15 119.917 0.068 . . . . . . . 115 ARG N . 51057 1 94 . 1 . 1 27 27 GLU H H 1 8.193 0.004 . . . . . . . 116 GLU HN . 51057 1 95 . 1 . 1 27 27 GLU CA C 13 59.471 0.013 . . . . . . . 116 GLU CA . 51057 1 96 . 1 . 1 27 27 GLU CB C 13 29.332 0.034 . . . . . . . 116 GLU CB . 51057 1 97 . 1 . 1 27 27 GLU N N 15 118.650 0.032 . . . . . . . 116 GLU N . 51057 1 98 . 1 . 1 28 28 MET H H 1 7.862 0.003 . . . . . . . 117 MET HN . 51057 1 99 . 1 . 1 28 28 MET CA C 13 58.580 0.034 . . . . . . . 117 MET CA . 51057 1 100 . 1 . 1 28 28 MET CB C 13 32.172 0.044 . . . . . . . 117 MET CB . 51057 1 101 . 1 . 1 28 28 MET N N 15 119.013 0.046 . . . . . . . 117 MET N . 51057 1 102 . 1 . 1 29 29 MET H H 1 7.989 0.003 . . . . . . . 118 MET HN . 51057 1 103 . 1 . 1 29 29 MET CA C 13 57.545 0.056 . . . . . . . 118 MET CA . 51057 1 104 . 1 . 1 29 29 MET CB C 13 31.852 0.029 . . . . . . . 118 MET CB . 51057 1 105 . 1 . 1 29 29 MET N N 15 116.899 0.025 . . . . . . . 118 MET N . 51057 1 106 . 1 . 1 30 30 GLU H H 1 7.778 0.002 . . . . . . . 119 GLU HN . 51057 1 107 . 1 . 1 30 30 GLU CA C 13 58.662 0.043 . . . . . . . 119 GLU CA . 51057 1 108 . 1 . 1 30 30 GLU CB C 13 29.553 0.039 . . . . . . . 119 GLU CB . 51057 1 109 . 1 . 1 30 30 GLU N N 15 119.046 0.029 . . . . . . . 119 GLU N . 51057 1 110 . 1 . 1 31 31 SER H H 1 7.676 0.003 . . . . . . . 120 SER HN . 51057 1 111 . 1 . 1 31 31 SER CA C 13 59.250 0.040 . . . . . . . 120 SER CA . 51057 1 112 . 1 . 1 31 31 SER CB C 13 63.894 0.039 . . . . . . . 120 SER CB . 51057 1 113 . 1 . 1 31 31 SER N N 15 112.576 0.047 . . . . . . . 120 SER N . 51057 1 114 . 1 . 1 32 32 PHE H H 1 7.543 0.003 . . . . . . . 121 PHE HN . 51057 1 115 . 1 . 1 32 32 PHE CA C 13 56.283 0.053 . . . . . . . 121 PHE CA . 51057 1 116 . 1 . 1 32 32 PHE CB C 13 38.703 0.035 . . . . . . . 121 PHE CB . 51057 1 117 . 1 . 1 32 32 PHE N N 15 122.354 0.028 . . . . . . . 121 PHE N . 51057 1 118 . 1 . 1 33 33 GLU H H 1 8.517 0.003 . . . . . . . 122 GLU HN . 51057 1 119 . 1 . 1 33 33 GLU CA C 13 56.413 0.065 . . . . . . . 122 GLU CA . 51057 1 120 . 1 . 1 33 33 GLU CB C 13 30.387 0.029 . . . . . . . 122 GLU CB . 51057 1 121 . 1 . 1 33 33 GLU N N 15 121.371 0.014 . . . . . . . 122 GLU N . 51057 1 122 . 1 . 1 34 34 GLY H H 1 8.175 0.004 . . . . . . . 123 GLY HN . 51057 1 123 . 1 . 1 34 34 GLY CA C 13 44.294 0.034 . . . . . . . 123 GLY CA . 51057 1 124 . 1 . 1 34 34 GLY N N 15 108.529 0.048 . . . . . . . 123 GLY N . 51057 1 125 . 1 . 1 35 35 PRO CA C 13 63.025 0.034 . . . . . . . 124 PRO CA . 51057 1 126 . 1 . 1 35 35 PRO CB C 13 32.515 0.000 . . . . . . . 124 PRO CB . 51057 1 127 . 1 . 1 36 36 GLN H H 1 8.461 0.003 . . . . . . . 125 GLN HN . 51057 1 128 . 1 . 1 36 36 GLN CA C 13 53.345 0.000 . . . . . . . 125 GLN CA . 51057 1 129 . 1 . 1 36 36 GLN CB C 13 29.192 0.000 . . . . . . . 125 GLN CB . 51057 1 130 . 1 . 1 36 36 GLN N N 15 120.062 0.033 . . . . . . . 125 GLN N . 51057 1 131 . 1 . 1 37 37 PRO CA C 13 62.153 0.019 . . . . . . . 126 PRO CA . 51057 1 132 . 1 . 1 37 37 PRO CB C 13 31.603 0.042 . . . . . . . 126 PRO CB . 51057 1 133 . 1 . 1 38 38 ALA H H 1 8.562 0.004 . . . . . . . 127 ALA HN . 51057 1 134 . 1 . 1 38 38 ALA CA C 13 53.730 0.001 . . . . . . . 127 ALA CA . 51057 1 135 . 1 . 1 38 38 ALA CB C 13 18.061 0.019 . . . . . . . 127 ALA CB . 51057 1 136 . 1 . 1 38 38 ALA N N 15 123.587 0.029 . . . . . . . 127 ALA N . 51057 1 137 . 1 . 1 39 39 ASP H H 1 7.445 0.003 . . . . . . . 128 ASP HN . 51057 1 138 . 1 . 1 39 39 ASP CA C 13 53.636 0.001 . . . . . . . 128 ASP CA . 51057 1 139 . 1 . 1 39 39 ASP CB C 13 44.154 0.000 . . . . . . . 128 ASP CB . 51057 1 140 . 1 . 1 39 39 ASP N N 15 113.171 0.030 . . . . . . . 128 ASP N . 51057 1 141 . 1 . 1 40 40 VAL H H 1 7.854 0.003 . . . . . . . 129 VAL HN . 51057 1 142 . 1 . 1 40 40 VAL CA C 13 61.546 0.000 . . . . . . . 129 VAL CA . 51057 1 143 . 1 . 1 40 40 VAL CB C 13 34.939 0.078 . . . . . . . 129 VAL CB . 51057 1 144 . 1 . 1 40 40 VAL N N 15 122.221 0.020 . . . . . . . 129 VAL N . 51057 1 145 . 1 . 1 41 41 ARG H H 1 8.959 0.003 . . . . . . . 130 ARG HN . 51057 1 146 . 1 . 1 41 41 ARG CA C 13 53.749 0.025 . . . . . . . 130 ARG CA . 51057 1 147 . 1 . 1 41 41 ARG CB C 13 33.220 0.046 . . . . . . . 130 ARG CB . 51057 1 148 . 1 . 1 41 41 ARG N N 15 124.553 0.022 . . . . . . . 130 ARG N . 51057 1 149 . 1 . 1 42 42 LEU H H 1 9.497 0.003 . . . . . . . 131 LEU HN . 51057 1 150 . 1 . 1 42 42 LEU CA C 13 54.344 0.047 . . . . . . . 131 LEU CA . 51057 1 151 . 1 . 1 42 42 LEU CB C 13 44.316 0.048 . . . . . . . 131 LEU CB . 51057 1 152 . 1 . 1 42 42 LEU N N 15 126.989 0.038 . . . . . . . 131 LEU N . 51057 1 153 . 1 . 1 43 43 MET H H 1 8.089 0.003 . . . . . . . 132 MET HN . 51057 1 154 . 1 . 1 43 43 MET CA C 13 54.440 0.016 . . . . . . . 132 MET CA . 51057 1 155 . 1 . 1 43 43 MET CB C 13 31.821 0.045 . . . . . . . 132 MET CB . 51057 1 156 . 1 . 1 43 43 MET N N 15 124.877 0.012 . . . . . . . 132 MET N . 51057 1 157 . 1 . 1 44 44 LYS H H 1 8.652 0.004 . . . . . . . 133 LYS HN . 51057 1 158 . 1 . 1 44 44 LYS CA C 13 55.455 0.000 . . . . . . . 133 LYS CA . 51057 1 159 . 1 . 1 44 44 LYS CB C 13 36.208 0.046 . . . . . . . 133 LYS CB . 51057 1 160 . 1 . 1 44 44 LYS N N 15 122.457 0.029 . . . . . . . 133 LYS N . 51057 1 161 . 1 . 1 45 45 ARG H H 1 8.745 0.004 . . . . . . . 134 ARG HN . 51057 1 162 . 1 . 1 45 45 ARG CA C 13 55.787 0.013 . . . . . . . 134 ARG CA . 51057 1 163 . 1 . 1 45 45 ARG CB C 13 32.143 0.000 . . . . . . . 134 ARG CB . 51057 1 164 . 1 . 1 45 45 ARG N N 15 120.262 0.020 . . . . . . . 134 ARG N . 51057 1 165 . 1 . 1 46 46 LYS CA C 13 58.878 0.027 . . . . . . . 135 LYS CA . 51057 1 166 . 1 . 1 46 46 LYS CB C 13 32.354 0.064 . . . . . . . 135 LYS CB . 51057 1 167 . 1 . 1 47 47 THR H H 1 7.231 0.005 . . . . . . . 136 THR HN . 51057 1 168 . 1 . 1 47 47 THR CA C 13 61.736 0.049 . . . . . . . 136 THR CA . 51057 1 169 . 1 . 1 47 47 THR CB C 13 70.026 0.028 . . . . . . . 136 THR CB . 51057 1 170 . 1 . 1 47 47 THR N N 15 106.292 0.029 . . . . . . . 136 THR N . 51057 1 171 . 1 . 1 48 48 GLY H H 1 8.209 0.004 . . . . . . . 137 GLY HN . 51057 1 172 . 1 . 1 48 48 GLY CA C 13 44.903 0.023 . . . . . . . 137 GLY CA . 51057 1 173 . 1 . 1 48 48 GLY N N 15 109.544 0.027 . . . . . . . 137 GLY N . 51057 1 174 . 1 . 1 49 49 VAL H H 1 7.084 0.002 . . . . . . . 138 VAL HN . 51057 1 175 . 1 . 1 49 49 VAL CA C 13 62.249 0.038 . . . . . . . 138 VAL CA . 51057 1 176 . 1 . 1 49 49 VAL CB C 13 32.857 0.057 . . . . . . . 138 VAL CB . 51057 1 177 . 1 . 1 49 49 VAL N N 15 118.833 0.027 . . . . . . . 138 VAL N . 51057 1 178 . 1 . 1 50 50 SER H H 1 8.764 0.004 . . . . . . . 139 SER HN . 51057 1 179 . 1 . 1 50 50 SER CA C 13 58.440 0.080 . . . . . . . 139 SER CA . 51057 1 180 . 1 . 1 50 50 SER CB C 13 64.391 0.054 . . . . . . . 139 SER CB . 51057 1 181 . 1 . 1 50 50 SER N N 15 119.863 0.020 . . . . . . . 139 SER N . 51057 1 182 . 1 . 1 51 51 ARG H H 1 8.870 0.005 . . . . . . . 140 ARG HN . 51057 1 183 . 1 . 1 51 51 ARG CA C 13 56.413 0.028 . . . . . . . 140 ARG CA . 51057 1 184 . 1 . 1 51 51 ARG CB C 13 31.755 0.083 . . . . . . . 140 ARG CB . 51057 1 185 . 1 . 1 51 51 ARG N N 15 122.611 0.043 . . . . . . . 140 ARG N . 51057 1 186 . 1 . 1 52 52 GLY H H 1 9.089 0.004 . . . . . . . 141 GLY HN . 51057 1 187 . 1 . 1 52 52 GLY CA C 13 45.597 0.022 . . . . . . . 141 GLY CA . 51057 1 188 . 1 . 1 52 52 GLY N N 15 106.826 0.035 . . . . . . . 141 GLY N . 51057 1 189 . 1 . 1 53 53 PHE H H 1 7.110 0.003 . . . . . . . 142 PHE HN . 51057 1 190 . 1 . 1 53 53 PHE CA C 13 54.662 0.029 . . . . . . . 142 PHE CA . 51057 1 191 . 1 . 1 53 53 PHE CB C 13 41.986 0.053 . . . . . . . 142 PHE CB . 51057 1 192 . 1 . 1 53 53 PHE N N 15 113.359 0.040 . . . . . . . 142 PHE N . 51057 1 193 . 1 . 1 54 54 ALA H H 1 8.574 0.004 . . . . . . . 143 ALA HN . 51057 1 194 . 1 . 1 54 54 ALA CA C 13 49.854 0.043 . . . . . . . 143 ALA CA . 51057 1 195 . 1 . 1 54 54 ALA CB C 13 24.086 0.023 . . . . . . . 143 ALA CB . 51057 1 196 . 1 . 1 54 54 ALA N N 15 120.338 0.019 . . . . . . . 143 ALA N . 51057 1 197 . 1 . 1 55 55 PHE H H 1 9.072 0.004 . . . . . . . 144 PHE HN . 51057 1 198 . 1 . 1 55 55 PHE CA C 13 56.771 0.048 . . . . . . . 144 PHE CA . 51057 1 199 . 1 . 1 55 55 PHE CB C 13 42.151 0.026 . . . . . . . 144 PHE CB . 51057 1 200 . 1 . 1 55 55 PHE N N 15 117.896 0.027 . . . . . . . 144 PHE N . 51057 1 201 . 1 . 1 56 56 VAL H H 1 9.559 0.006 . . . . . . . 145 VAL HN . 51057 1 202 . 1 . 1 56 56 VAL CA C 13 61.233 0.016 . . . . . . . 145 VAL CA . 51057 1 203 . 1 . 1 56 56 VAL CB C 13 32.900 0.064 . . . . . . . 145 VAL CB . 51057 1 204 . 1 . 1 56 56 VAL N N 15 123.901 0.015 . . . . . . . 145 VAL N . 51057 1 205 . 1 . 1 57 57 GLU H H 1 8.394 0.004 . . . . . . . 146 GLU HN . 51057 1 206 . 1 . 1 57 57 GLU CA C 13 54.395 0.019 . . . . . . . 146 GLU CA . 51057 1 207 . 1 . 1 57 57 GLU CB C 13 32.863 0.014 . . . . . . . 146 GLU CB . 51057 1 208 . 1 . 1 57 57 GLU N N 15 126.520 0.031 . . . . . . . 146 GLU N . 51057 1 209 . 1 . 1 58 58 PHE H H 1 8.952 0.004 . . . . . . . 147 PHE HN . 51057 1 210 . 1 . 1 58 58 PHE CA C 13 58.166 0.057 . . . . . . . 147 PHE CA . 51057 1 211 . 1 . 1 58 58 PHE CB C 13 41.343 0.045 . . . . . . . 147 PHE CB . 51057 1 212 . 1 . 1 58 58 PHE N N 15 123.230 0.029 . . . . . . . 147 PHE N . 51057 1 213 . 1 . 1 59 59 TYR H H 1 9.765 0.005 . . . . . . . 148 TYR HN . 51057 1 214 . 1 . 1 59 59 TYR CA C 13 61.736 0.046 . . . . . . . 148 TYR CA . 51057 1 215 . 1 . 1 59 59 TYR CB C 13 38.641 0.093 . . . . . . . 148 TYR CB . 51057 1 216 . 1 . 1 59 59 TYR N N 15 118.820 0.056 . . . . . . . 148 TYR N . 51057 1 217 . 1 . 1 60 60 HIS H H 1 7.356 0.005 . . . . . . . 149 HIS HN . 51057 1 218 . 1 . 1 60 60 HIS CA C 13 54.096 0.057 . . . . . . . 149 HIS CA . 51057 1 219 . 1 . 1 60 60 HIS CB C 13 33.494 0.000 . . . . . . . 149 HIS CB . 51057 1 220 . 1 . 1 60 60 HIS N N 15 111.048 0.049 . . . . . . . 149 HIS N . 51057 1 221 . 1 . 1 61 61 LEU CA C 13 59.104 0.000 . . . . . . . 150 LEU CA . 51057 1 222 . 1 . 1 61 61 LEU CB C 13 42.054 0.000 . . . . . . . 150 LEU CB . 51057 1 223 . 1 . 1 62 62 GLN H H 1 9.300 0.005 . . . . . . . 151 GLN HN . 51057 1 224 . 1 . 1 62 62 GLN CA C 13 58.950 0.000 . . . . . . . 151 GLN CA . 51057 1 225 . 1 . 1 62 62 GLN CB C 13 27.674 0.028 . . . . . . . 151 GLN CB . 51057 1 226 . 1 . 1 62 62 GLN N N 15 116.171 0.030 . . . . . . . 151 GLN N . 51057 1 227 . 1 . 1 63 63 ASP H H 1 7.280 0.004 . . . . . . . 152 ASP HN . 51057 1 228 . 1 . 1 63 63 ASP CA C 13 56.669 0.030 . . . . . . . 152 ASP CA . 51057 1 229 . 1 . 1 63 63 ASP CB C 13 40.978 0.046 . . . . . . . 152 ASP CB . 51057 1 230 . 1 . 1 63 63 ASP N N 15 119.552 0.042 . . . . . . . 152 ASP N . 51057 1 231 . 1 . 1 64 64 ALA H H 1 6.969 0.004 . . . . . . . 153 ALA HN . 51057 1 232 . 1 . 1 64 64 ALA CA C 13 54.869 0.037 . . . . . . . 153 ALA CA . 51057 1 233 . 1 . 1 64 64 ALA CB C 13 19.958 0.052 . . . . . . . 153 ALA CB . 51057 1 234 . 1 . 1 64 64 ALA N N 15 122.180 0.051 . . . . . . . 153 ALA N . 51057 1 235 . 1 . 1 65 65 THR H H 1 8.502 0.005 . . . . . . . 154 THR HN . 51057 1 236 . 1 . 1 65 65 THR CA C 13 64.877 0.000 . . . . . . . 154 THR CA . 51057 1 237 . 1 . 1 65 65 THR CB C 13 68.479 0.011 . . . . . . . 154 THR CB . 51057 1 238 . 1 . 1 65 65 THR N N 15 110.029 0.035 . . . . . . . 154 THR N . 51057 1 239 . 1 . 1 66 66 SER H H 1 7.941 0.003 . . . . . . . 155 SER HN . 51057 1 240 . 1 . 1 66 66 SER CA C 13 61.987 0.088 . . . . . . . 155 SER CA . 51057 1 241 . 1 . 1 66 66 SER CB C 13 62.985 0.002 . . . . . . . 155 SER CB . 51057 1 242 . 1 . 1 66 66 SER N N 15 118.622 0.054 . . . . . . . 155 SER N . 51057 1 243 . 1 . 1 67 67 TRP H H 1 8.283 0.005 . . . . . . . 156 TRP HN . 51057 1 244 . 1 . 1 67 67 TRP CA C 13 62.877 0.070 . . . . . . . 156 TRP CA . 51057 1 245 . 1 . 1 67 67 TRP CB C 13 30.006 0.044 . . . . . . . 156 TRP CB . 51057 1 246 . 1 . 1 67 67 TRP N N 15 124.853 0.081 . . . . . . . 156 TRP N . 51057 1 247 . 1 . 1 68 68 MET H H 1 8.762 0.002 . . . . . . . 157 MET HN . 51057 1 248 . 1 . 1 68 68 MET CA C 13 58.743 0.086 . . . . . . . 157 MET CA . 51057 1 249 . 1 . 1 68 68 MET CB C 13 33.454 0.068 . . . . . . . 157 MET CB . 51057 1 250 . 1 . 1 68 68 MET N N 15 119.612 0.040 . . . . . . . 157 MET N . 51057 1 251 . 1 . 1 69 69 GLU H H 1 8.192 0.003 . . . . . . . 158 GLU HN . 51057 1 252 . 1 . 1 69 69 GLU CA C 13 59.591 0.000 . . . . . . . 158 GLU CA . 51057 1 253 . 1 . 1 69 69 GLU CB C 13 29.280 0.006 . . . . . . . 158 GLU CB . 51057 1 254 . 1 . 1 69 69 GLU N N 15 117.502 0.019 . . . . . . . 158 GLU N . 51057 1 255 . 1 . 1 70 70 ALA H H 1 7.631 0.006 . . . . . . . 159 ALA HN . 51057 1 256 . 1 . 1 70 70 ALA CA C 13 54.243 0.034 . . . . . . . 159 ALA CA . 51057 1 257 . 1 . 1 70 70 ALA CB C 13 19.022 0.040 . . . . . . . 159 ALA CB . 51057 1 258 . 1 . 1 70 70 ALA N N 15 118.366 0.053 . . . . . . . 159 ALA N . 51057 1 259 . 1 . 1 71 71 ASN H H 1 7.550 0.006 . . . . . . . 160 ASN HN . 51057 1 260 . 1 . 1 71 71 ASN CA C 13 54.269 0.041 . . . . . . . 160 ASN CA . 51057 1 261 . 1 . 1 71 71 ASN CB C 13 40.084 0.066 . . . . . . . 160 ASN CB . 51057 1 262 . 1 . 1 71 71 ASN N N 15 111.627 0.030 . . . . . . . 160 ASN N . 51057 1 263 . 1 . 1 72 72 GLN H H 1 8.032 0.003 . . . . . . . 161 GLN HN . 51057 1 264 . 1 . 1 72 72 GLN CA C 13 59.028 0.093 . . . . . . . 161 GLN CA . 51057 1 265 . 1 . 1 72 72 GLN CB C 13 27.755 0.000 . . . . . . . 161 GLN CB . 51057 1 266 . 1 . 1 72 72 GLN N N 15 119.808 0.026 . . . . . . . 161 GLN N . 51057 1 267 . 1 . 1 73 73 LYS H H 1 8.512 0.002 . . . . . . . 162 LYS HN . 51057 1 268 . 1 . 1 73 73 LYS CA C 13 57.127 0.004 . . . . . . . 162 LYS CA . 51057 1 269 . 1 . 1 73 73 LYS CB C 13 31.522 0.010 . . . . . . . 162 LYS CB . 51057 1 270 . 1 . 1 73 73 LYS N N 15 115.230 0.094 . . . . . . . 162 LYS N . 51057 1 271 . 1 . 1 74 74 LYS H H 1 7.613 0.004 . . . . . . . 163 LYS HN . 51057 1 272 . 1 . 1 74 74 LYS CA C 13 56.410 0.043 . . . . . . . 163 LYS CA . 51057 1 273 . 1 . 1 74 74 LYS CB C 13 34.702 0.049 . . . . . . . 163 LYS CB . 51057 1 274 . 1 . 1 74 74 LYS N N 15 117.637 0.033 . . . . . . . 163 LYS N . 51057 1 275 . 1 . 1 75 75 LEU H H 1 8.028 0.005 . . . . . . . 164 LEU HN . 51057 1 276 . 1 . 1 75 75 LEU CA C 13 55.254 0.028 . . . . . . . 164 LEU CA . 51057 1 277 . 1 . 1 75 75 LEU CB C 13 42.545 0.042 . . . . . . . 164 LEU CB . 51057 1 278 . 1 . 1 75 75 LEU N N 15 122.026 0.043 . . . . . . . 164 LEU N . 51057 1 279 . 1 . 1 76 76 VAL H H 1 8.111 0.006 . . . . . . . 165 VAL HN . 51057 1 280 . 1 . 1 76 76 VAL CA C 13 60.856 0.000 . . . . . . . 165 VAL CA . 51057 1 281 . 1 . 1 76 76 VAL CB C 13 33.751 0.071 . . . . . . . 165 VAL CB . 51057 1 282 . 1 . 1 76 76 VAL N N 15 127.788 0.021 . . . . . . . 165 VAL N . 51057 1 283 . 1 . 1 77 77 ILE H H 1 8.533 0.005 . . . . . . . 166 ILE HN . 51057 1 284 . 1 . 1 77 77 ILE CA C 13 60.268 0.049 . . . . . . . 166 ILE CA . 51057 1 285 . 1 . 1 77 77 ILE CB C 13 41.011 0.007 . . . . . . . 166 ILE CB . 51057 1 286 . 1 . 1 77 77 ILE N N 15 124.879 0.029 . . . . . . . 166 ILE N . 51057 1 287 . 1 . 1 78 78 GLN H H 1 9.530 0.004 . . . . . . . 167 GLN HN . 51057 1 288 . 1 . 1 78 78 GLN CA C 13 56.406 0.000 . . . . . . . 167 GLN CA . 51057 1 289 . 1 . 1 78 78 GLN CB C 13 26.598 0.065 . . . . . . . 167 GLN CB . 51057 1 290 . 1 . 1 78 78 GLN N N 15 126.977 0.037 . . . . . . . 167 GLN N . 51057 1 291 . 1 . 1 79 79 GLY H H 1 8.328 0.004 . . . . . . . 168 GLY HN . 51057 1 292 . 1 . 1 79 79 GLY CA C 13 45.358 0.005 . . . . . . . 168 GLY CA . 51057 1 293 . 1 . 1 79 79 GLY N N 15 102.694 0.022 . . . . . . . 168 GLY N . 51057 1 294 . 1 . 1 80 80 LYS H H 1 7.894 0.004 . . . . . . . 169 LYS HN . 51057 1 295 . 1 . 1 80 80 LYS CA C 13 54.298 0.000 . . . . . . . 169 LYS CA . 51057 1 296 . 1 . 1 80 80 LYS CB C 13 33.531 0.061 . . . . . . . 169 LYS CB . 51057 1 297 . 1 . 1 80 80 LYS N N 15 121.400 0.035 . . . . . . . 169 LYS N . 51057 1 298 . 1 . 1 81 81 HIS H H 1 8.835 0.002 . . . . . . . 170 HIS HN . 51057 1 299 . 1 . 1 81 81 HIS CA C 13 57.323 0.000 . . . . . . . 170 HIS CA . 51057 1 300 . 1 . 1 81 81 HIS CB C 13 29.307 0.041 . . . . . . . 170 HIS CB . 51057 1 301 . 1 . 1 81 81 HIS N N 15 122.922 0.039 . . . . . . . 170 HIS N . 51057 1 302 . 1 . 1 82 82 ILE H H 1 8.300 0.004 . . . . . . . 171 ILE HN . 51057 1 303 . 1 . 1 82 82 ILE CA C 13 58.099 0.035 . . . . . . . 171 ILE CA . 51057 1 304 . 1 . 1 82 82 ILE CB C 13 37.081 0.071 . . . . . . . 171 ILE CB . 51057 1 305 . 1 . 1 82 82 ILE N N 15 127.140 0.021 . . . . . . . 171 ILE N . 51057 1 306 . 1 . 1 83 83 ALA H H 1 8.196 0.004 . . . . . . . 172 ALA HN . 51057 1 307 . 1 . 1 83 83 ALA CA C 13 51.794 0.021 . . . . . . . 172 ALA CA . 51057 1 308 . 1 . 1 83 83 ALA CB C 13 20.535 0.028 . . . . . . . 172 ALA CB . 51057 1 309 . 1 . 1 83 83 ALA N N 15 130.092 0.032 . . . . . . . 172 ALA N . 51057 1 310 . 1 . 1 84 84 MET H H 1 8.108 0.005 . . . . . . . 173 MET HN . 51057 1 311 . 1 . 1 84 84 MET CA C 13 54.377 0.000 . . . . . . . 173 MET CA . 51057 1 312 . 1 . 1 84 84 MET CB C 13 36.677 0.008 . . . . . . . 173 MET CB . 51057 1 313 . 1 . 1 84 84 MET N N 15 117.554 0.023 . . . . . . . 173 MET N . 51057 1 314 . 1 . 1 85 85 HIS H H 1 8.372 0.003 . . . . . . . 174 HIS HN . 51057 1 315 . 1 . 1 85 85 HIS CA C 13 54.539 0.000 . . . . . . . 174 HIS CA . 51057 1 316 . 1 . 1 85 85 HIS CB C 13 33.212 0.048 . . . . . . . 174 HIS CB . 51057 1 317 . 1 . 1 85 85 HIS N N 15 117.332 0.037 . . . . . . . 174 HIS N . 51057 1 318 . 1 . 1 86 86 TYR H H 1 8.879 0.004 . . . . . . . 175 TYR HN . 51057 1 319 . 1 . 1 86 86 TYR CA C 13 60.242 0.000 . . . . . . . 175 TYR CA . 51057 1 320 . 1 . 1 86 86 TYR CB C 13 39.184 0.051 . . . . . . . 175 TYR CB . 51057 1 321 . 1 . 1 86 86 TYR N N 15 122.600 0.032 . . . . . . . 175 TYR N . 51057 1 322 . 1 . 1 87 87 SER H H 1 8.848 0.007 . . . . . . . 176 SER HN . 51057 1 323 . 1 . 1 87 87 SER CA C 13 57.243 0.065 . . . . . . . 176 SER CA . 51057 1 324 . 1 . 1 87 87 SER CB C 13 65.856 0.053 . . . . . . . 176 SER CB . 51057 1 325 . 1 . 1 87 87 SER N N 15 116.597 0.039 . . . . . . . 176 SER N . 51057 1 326 . 1 . 1 88 88 ASN H H 1 8.629 0.007 . . . . . . . 177 ASN HN . 51057 1 327 . 1 . 1 88 88 ASN CA C 13 52.180 0.112 . . . . . . . 177 ASN CA . 51057 1 328 . 1 . 1 88 88 ASN CB C 13 38.625 0.000 . . . . . . . 177 ASN CB . 51057 1 329 . 1 . 1 88 88 ASN N N 15 124.409 0.033 . . . . . . . 177 ASN N . 51057 1 330 . 1 . 1 89 89 PRO CA C 13 63.515 0.033 . . . . . . . 178 PRO CA . 51057 1 331 . 1 . 1 89 89 PRO CB C 13 32.002 0.045 . . . . . . . 178 PRO CB . 51057 1 332 . 1 . 1 90 90 ARG H H 1 8.310 0.003 . . . . . . . 179 ARG HN . 51057 1 333 . 1 . 1 90 90 ARG CA C 13 53.897 0.000 . . . . . . . 179 ARG CA . 51057 1 334 . 1 . 1 90 90 ARG CB C 13 29.930 0.000 . . . . . . . 179 ARG CB . 51057 1 335 . 1 . 1 90 90 ARG N N 15 121.170 0.053 . . . . . . . 179 ARG N . 51057 1 336 . 1 . 1 91 91 PRO CA C 13 63.099 0.022 . . . . . . . 180 PRO CA . 51057 1 337 . 1 . 1 91 91 PRO CB C 13 32.053 0.027 . . . . . . . 180 PRO CB . 51057 1 338 . 1 . 1 92 92 LYS H H 1 8.188 0.004 . . . . . . . 181 LYS HN . 51057 1 339 . 1 . 1 92 92 LYS CA C 13 56.373 0.011 . . . . . . . 181 LYS CA . 51057 1 340 . 1 . 1 92 92 LYS CB C 13 32.987 0.027 . . . . . . . 181 LYS CB . 51057 1 341 . 1 . 1 92 92 LYS N N 15 120.346 0.024 . . . . . . . 181 LYS N . 51057 1 342 . 1 . 1 93 93 PHE H H 1 8.157 0.003 . . . . . . . 182 PHE HN . 51057 1 343 . 1 . 1 93 93 PHE CA C 13 57.432 0.021 . . . . . . . 182 PHE CA . 51057 1 344 . 1 . 1 93 93 PHE CB C 13 39.863 0.020 . . . . . . . 182 PHE CB . 51057 1 345 . 1 . 1 93 93 PHE N N 15 120.524 0.014 . . . . . . . 182 PHE N . 51057 1 346 . 1 . 1 94 94 GLU H H 1 8.337 0.002 . . . . . . . 183 GLU HN . 51057 1 347 . 1 . 1 94 94 GLU CA C 13 56.211 0.030 . . . . . . . 183 GLU CA . 51057 1 348 . 1 . 1 94 94 GLU CB C 13 30.731 0.006 . . . . . . . 183 GLU CB . 51057 1 349 . 1 . 1 94 94 GLU N N 15 121.890 0.022 . . . . . . . 183 GLU N . 51057 1 350 . 1 . 1 95 95 ASP H H 1 7.949 0.002 . . . . . . . 184 ASP HN . 51057 1 351 . 1 . 1 95 95 ASP CA C 13 55.881 0.000 . . . . . . . 184 ASP CA . 51057 1 352 . 1 . 1 95 95 ASP CB C 13 42.266 0.000 . . . . . . . 184 ASP CB . 51057 1 353 . 1 . 1 95 95 ASP N N 15 126.771 0.023 . . . . . . . 184 ASP N . 51057 1 stop_ save_