data_51203 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51203 _Entry.Title ; Backbone resonance assignment of budding yeast Centromeric H3 variant Cse4 N-terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-01 _Entry.Accession_date 2021-12-01 _Entry.Last_release_date 2021-12-01 _Entry.Original_release_date 2021-12-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'These are the backbone assignments for the long N-terminal tail of Cse4 which has not been characterized extensively.' _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 Shivangi Shukla . . . . 51203 2 Anusri Bhattacharya . . . . 51203 3 Ashutosh Kumar . . . 0000-0002-5061-8162 51203 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51203 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 204 51203 '15N chemical shifts' 86 51203 '1H chemical shifts' 86 51203 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-03-08 . original BMRB . 51203 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51203 _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 ; Disorder in CENP-ACse4 tail-chaperone interaction facilitates binding with Ame1/Okp1 at the kinetochore STRUCTURE-D-23-00019R7 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shivangi Shukla . . . . 51203 1 2 Anusri Bhattacharya . . . . 51203 1 3 Ashutosh Kumar . . . . 51203 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'budding yeast, Cse4, Cse4 N-terminus, centromere, H3 variant, kinetochore' 51203 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51203 _Assembly.ID 1 _Assembly.Name 'Cse4 N-terminus' _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 'Cse4 N-terminus' 1 $entity_1 . . yes native yes no . . . 51203 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51203 _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 ; MSSKQQWVSSAIQSDSSGRS LSNVNRLAGDQQSINDRALS LLQRTRATKNLFPRREERRR YESSKSDLDIETDYEDQAGN LEIETENEEEAEMETEVPAP VRTHSYALDRYVRQKRREKQ RKQSLKRVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 129 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Helps in kinetochore (KT) assembly via interaction with inner KT proteins' 51203 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 . MET . 51203 1 2 . SER . 51203 1 3 . SER . 51203 1 4 . LYS . 51203 1 5 . GLN . 51203 1 6 . GLN . 51203 1 7 . TRP . 51203 1 8 . VAL . 51203 1 9 . SER . 51203 1 10 . SER . 51203 1 11 . ALA . 51203 1 12 . ILE . 51203 1 13 . GLN . 51203 1 14 . SER . 51203 1 15 . ASP . 51203 1 16 . SER . 51203 1 17 . SER . 51203 1 18 . GLY . 51203 1 19 . ARG . 51203 1 20 . SER . 51203 1 21 . LEU . 51203 1 22 . SER . 51203 1 23 . ASN . 51203 1 24 . VAL . 51203 1 25 . ASN . 51203 1 26 . ARG . 51203 1 27 . LEU . 51203 1 28 . ALA . 51203 1 29 . GLY . 51203 1 30 . ASP . 51203 1 31 . GLN . 51203 1 32 . GLN . 51203 1 33 . SER . 51203 1 34 . ILE . 51203 1 35 . ASN . 51203 1 36 . ASP . 51203 1 37 . ARG . 51203 1 38 . ALA . 51203 1 39 . LEU . 51203 1 40 . SER . 51203 1 41 . LEU . 51203 1 42 . LEU . 51203 1 43 . GLN . 51203 1 44 . ARG . 51203 1 45 . THR . 51203 1 46 . ARG . 51203 1 47 . ALA . 51203 1 48 . THR . 51203 1 49 . LYS . 51203 1 50 . ASN . 51203 1 51 . LEU . 51203 1 52 . PHE . 51203 1 53 . PRO . 51203 1 54 . ARG . 51203 1 55 . ARG . 51203 1 56 . GLU . 51203 1 57 . GLU . 51203 1 58 . ARG . 51203 1 59 . ARG . 51203 1 60 . ARG . 51203 1 61 . TYR . 51203 1 62 . GLU . 51203 1 63 . SER . 51203 1 64 . SER . 51203 1 65 . LYS . 51203 1 66 . SER . 51203 1 67 . ASP . 51203 1 68 . LEU . 51203 1 69 . ASP . 51203 1 70 . ILE . 51203 1 71 . GLU . 51203 1 72 . THR . 51203 1 73 . ASP . 51203 1 74 . TYR . 51203 1 75 . GLU . 51203 1 76 . ASP . 51203 1 77 . GLN . 51203 1 78 . ALA . 51203 1 79 . GLY . 51203 1 80 . ASN . 51203 1 81 . LEU . 51203 1 82 . GLU . 51203 1 83 . ILE . 51203 1 84 . GLU . 51203 1 85 . THR . 51203 1 86 . GLU . 51203 1 87 . ASN . 51203 1 88 . GLU . 51203 1 89 . GLU . 51203 1 90 . GLU . 51203 1 91 . ALA . 51203 1 92 . GLU . 51203 1 93 . MET . 51203 1 94 . GLU . 51203 1 95 . THR . 51203 1 96 . GLU . 51203 1 97 . VAL . 51203 1 98 . PRO . 51203 1 99 . ALA . 51203 1 100 . PRO . 51203 1 101 . VAL . 51203 1 102 . ARG . 51203 1 103 . THR . 51203 1 104 . HIS . 51203 1 105 . SER . 51203 1 106 . TYR . 51203 1 107 . ALA . 51203 1 108 . LEU . 51203 1 109 . ASP . 51203 1 110 . ARG . 51203 1 111 . TYR . 51203 1 112 . VAL . 51203 1 113 . ARG . 51203 1 114 . GLN . 51203 1 115 . LYS . 51203 1 116 . ARG . 51203 1 117 . ARG . 51203 1 118 . GLU . 51203 1 119 . LYS . 51203 1 120 . GLN . 51203 1 121 . ARG . 51203 1 122 . LYS . 51203 1 123 . GLN . 51203 1 124 . SER . 51203 1 125 . LEU . 51203 1 126 . LYS . 51203 1 127 . ARG . 51203 1 128 . VAL . 51203 1 129 . GLU . 51203 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 . MET 1 1 51203 1 . SER 2 2 51203 1 . SER 3 3 51203 1 . LYS 4 4 51203 1 . GLN 5 5 51203 1 . GLN 6 6 51203 1 . TRP 7 7 51203 1 . VAL 8 8 51203 1 . SER 9 9 51203 1 . SER 10 10 51203 1 . ALA 11 11 51203 1 . ILE 12 12 51203 1 . GLN 13 13 51203 1 . SER 14 14 51203 1 . ASP 15 15 51203 1 . SER 16 16 51203 1 . SER 17 17 51203 1 . GLY 18 18 51203 1 . ARG 19 19 51203 1 . SER 20 20 51203 1 . LEU 21 21 51203 1 . SER 22 22 51203 1 . ASN 23 23 51203 1 . VAL 24 24 51203 1 . ASN 25 25 51203 1 . ARG 26 26 51203 1 . LEU 27 27 51203 1 . ALA 28 28 51203 1 . GLY 29 29 51203 1 . ASP 30 30 51203 1 . GLN 31 31 51203 1 . GLN 32 32 51203 1 . SER 33 33 51203 1 . ILE 34 34 51203 1 . ASN 35 35 51203 1 . ASP 36 36 51203 1 . ARG 37 37 51203 1 . ALA 38 38 51203 1 . LEU 39 39 51203 1 . SER 40 40 51203 1 . LEU 41 41 51203 1 . LEU 42 42 51203 1 . GLN 43 43 51203 1 . ARG 44 44 51203 1 . THR 45 45 51203 1 . ARG 46 46 51203 1 . ALA 47 47 51203 1 . THR 48 48 51203 1 . LYS 49 49 51203 1 . ASN 50 50 51203 1 . LEU 51 51 51203 1 . PHE 52 52 51203 1 . PRO 53 53 51203 1 . ARG 54 54 51203 1 . ARG 55 55 51203 1 . GLU 56 56 51203 1 . GLU 57 57 51203 1 . ARG 58 58 51203 1 . ARG 59 59 51203 1 . ARG 60 60 51203 1 . TYR 61 61 51203 1 . GLU 62 62 51203 1 . SER 63 63 51203 1 . SER 64 64 51203 1 . LYS 65 65 51203 1 . SER 66 66 51203 1 . ASP 67 67 51203 1 . LEU 68 68 51203 1 . ASP 69 69 51203 1 . ILE 70 70 51203 1 . GLU 71 71 51203 1 . THR 72 72 51203 1 . ASP 73 73 51203 1 . TYR 74 74 51203 1 . GLU 75 75 51203 1 . ASP 76 76 51203 1 . GLN 77 77 51203 1 . ALA 78 78 51203 1 . GLY 79 79 51203 1 . ASN 80 80 51203 1 . LEU 81 81 51203 1 . GLU 82 82 51203 1 . ILE 83 83 51203 1 . GLU 84 84 51203 1 . THR 85 85 51203 1 . GLU 86 86 51203 1 . ASN 87 87 51203 1 . GLU 88 88 51203 1 . GLU 89 89 51203 1 . GLU 90 90 51203 1 . ALA 91 91 51203 1 . GLU 92 92 51203 1 . MET 93 93 51203 1 . GLU 94 94 51203 1 . THR 95 95 51203 1 . GLU 96 96 51203 1 . VAL 97 97 51203 1 . PRO 98 98 51203 1 . ALA 99 99 51203 1 . PRO 100 100 51203 1 . VAL 101 101 51203 1 . ARG 102 102 51203 1 . THR 103 103 51203 1 . HIS 104 104 51203 1 . SER 105 105 51203 1 . TYR 106 106 51203 1 . ALA 107 107 51203 1 . LEU 108 108 51203 1 . ASP 109 109 51203 1 . ARG 110 110 51203 1 . TYR 111 111 51203 1 . VAL 112 112 51203 1 . ARG 113 113 51203 1 . GLN 114 114 51203 1 . LYS 115 115 51203 1 . ARG 116 116 51203 1 . ARG 117 117 51203 1 . GLU 118 118 51203 1 . LYS 119 119 51203 1 . GLN 120 120 51203 1 . ARG 121 121 51203 1 . LYS 122 122 51203 1 . GLN 123 123 51203 1 . SER 124 124 51203 1 . LEU 125 125 51203 1 . LYS 126 126 51203 1 . ARG 127 127 51203 1 . VAL 128 128 51203 1 . GLU 129 129 51203 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 51203 _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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 51203 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 51203 _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 (DE3) E. coli B strain' . . plasmid . . pGEX6p1 . . . 51203 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51203 _Sample.ID 1 _Sample.Name 'Cse4 N-terminus' _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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51203 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51203 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 51203 1 4 'Cse4 N-terminus' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51203 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 51203 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Cse4 N-terminus' _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 7.4 . pH 51203 1 temperature 298 . K 51203 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51203 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51203 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 51203 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Ascend 750WB' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 51203 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 3 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 4 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 6 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 7 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 8 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 9 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 1 10 '3D HNN' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51203 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 51203 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 51203 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . 51203 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 51203 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'nter shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51203 1 2 '3D HNCO' . . . 51203 1 3 '3D HNCA' . . . 51203 1 4 '3D CBCA(CO)NH' . . . 51203 1 5 '3D HNCACB' . . . 51203 1 6 '3D HN(CA)CO' . . . 51203 1 7 '3D H(CCO)NH' . . . 51203 1 8 '3D HN(CO)CA' . . . 51203 1 9 '3D C(CO)NH' . . . 51203 1 10 '3D HNN' . . . 51203 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 . . 51203 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 4 4 LYS H H 1 8.381 0.01 . . . . . . . 4 K HN . 51203 1 2 . 1 . 1 4 4 LYS CA C 13 56.686 0.1 . . . . . . . 4 K CA . 51203 1 3 . 1 . 1 4 4 LYS CB C 13 33.324 0.1 . . . . . . . 4 K CB . 51203 1 4 . 1 . 1 4 4 LYS N N 15 123.006 0.1 . . . . . . . 4 K N . 51203 1 5 . 1 . 1 11 11 ALA H H 1 8.237 0.01 . . . . . . . 11 A HN . 51203 1 6 . 1 . 1 11 11 ALA C C 13 178.642 0.1 . . . . . . . 11 A C . 51203 1 7 . 1 . 1 11 11 ALA CA C 13 52.197 0.1 . . . . . . . 11 A CA . 51203 1 8 . 1 . 1 11 11 ALA CB C 13 18.362 0.1 . . . . . . . 11 A CB . 51203 1 9 . 1 . 1 11 11 ALA N N 15 126.273 0.1 . . . . . . . 11 A N . 51203 1 10 . 1 . 1 12 12 ILE H H 1 8.024 0.01 . . . . . . . 12 I HN . 51203 1 11 . 1 . 1 12 12 ILE C C 13 176.176 0.1 . . . . . . . 12 I C . 51203 1 12 . 1 . 1 12 12 ILE CA C 13 61.163 0.1 . . . . . . . 12 I CA . 51203 1 13 . 1 . 1 12 12 ILE CB C 13 38.344 0.1 . . . . . . . 12 I CB . 51203 1 14 . 1 . 1 12 12 ILE N N 15 121.219 0.1 . . . . . . . 12 I N . 51203 1 15 . 1 . 1 13 13 GLN H H 1 8.471 0.01 . . . . . . . 13 Q HN . 51203 1 16 . 1 . 1 13 13 GLN C C 13 176.428 0.1 . . . . . . . 13 Q C . 51203 1 17 . 1 . 1 13 13 GLN CA C 13 55.623 0.1 . . . . . . . 13 Q CA . 51203 1 18 . 1 . 1 13 13 GLN CB C 13 29.578 0.1 . . . . . . . 13 Q CB . 51203 1 19 . 1 . 1 13 13 GLN N N 15 124.682 0.1 . . . . . . . 13 Q N . 51203 1 20 . 1 . 1 14 14 SER H H 1 8.153 0.01 . . . . . . . 14 S HN . 51203 1 21 . 1 . 1 14 14 SER C C 13 174.615 0.1 . . . . . . . 14 S C . 51203 1 22 . 1 . 1 14 14 SER CA C 13 58.598 0.1 . . . . . . . 14 S CA . 51203 1 23 . 1 . 1 14 14 SER CB C 13 62.766 0.1 . . . . . . . 14 S CB . 51203 1 24 . 1 . 1 14 14 SER N N 15 116.348 0.1 . . . . . . . 14 S N . 51203 1 25 . 1 . 1 15 15 ASP H H 1 8.054 0.01 . . . . . . . 15 D HN . 51203 1 26 . 1 . 1 15 15 ASP CA C 13 52.966 0.1 . . . . . . . 15 D CA . 51203 1 27 . 1 . 1 15 15 ASP N N 15 123.441 0.1 . . . . . . . 15 D N . 51203 1 28 . 1 . 1 18 18 GLY H H 1 8.385 0.01 . . . . . . . 18 G HN . 51203 1 29 . 1 . 1 18 18 GLY C C 13 173.951 0.1 . . . . . . . 18 G C . 51203 1 30 . 1 . 1 18 18 GLY CA C 13 44.571 0.1 . . . . . . . 18 G CA . 51203 1 31 . 1 . 1 18 18 GLY N N 15 111.2 0.1 . . . . . . . 18 G N . 51203 1 32 . 1 . 1 19 19 ARG H H 1 8.243 0.01 . . . . . . . 19 R HN . 51203 1 33 . 1 . 1 19 19 ARG CA C 13 56.827 0.1 . . . . . . . 19 R CA . 51203 1 34 . 1 . 1 19 19 ARG CB C 13 30.558 0.1 . . . . . . . 19 R CB . 51203 1 35 . 1 . 1 19 19 ARG N N 15 119.469 0.1 . . . . . . . 19 R N . 51203 1 36 . 1 . 1 22 22 SER H H 1 8.244 0.01 . . . . . . . 22 S HN . 51203 1 37 . 1 . 1 22 22 SER CA C 13 58.632 0.1 . . . . . . . 22 S CA . 51203 1 38 . 1 . 1 22 22 SER CB C 13 63.474 0.1 . . . . . . . 22 S CB . 51203 1 39 . 1 . 1 22 22 SER N N 15 116.227 0.1 . . . . . . . 22 S N . 51203 1 40 . 1 . 1 23 23 ASN H H 1 8.385 0.01 . . . . . . . 23 N HN . 51203 1 41 . 1 . 1 23 23 ASN C C 13 176.110 0.1 . . . . . . . 23 N C . 51203 1 42 . 1 . 1 23 23 ASN CA C 13 53.921 0.1 . . . . . . . 23 N CA . 51203 1 43 . 1 . 1 23 23 ASN CB C 13 40.219 0.1 . . . . . . . 23 N CB . 51203 1 44 . 1 . 1 23 23 ASN N N 15 121.738 0.1 . . . . . . . 23 N N . 51203 1 45 . 1 . 1 24 24 VAL H H 1 8.028 0.01 . . . . . . . 24 V HN . 51203 1 46 . 1 . 1 24 24 VAL CA C 13 61.608 0.1 . . . . . . . 24 V CA . 51203 1 47 . 1 . 1 24 24 VAL CB C 13 32.695 0.1 . . . . . . . 24 V CB . 51203 1 48 . 1 . 1 24 24 VAL N N 15 121.601 0.1 . . . . . . . 24 V N . 51203 1 49 . 1 . 1 26 26 ARG H H 1 7.959 0.01 . . . . . . . 26 R HN . 51203 1 50 . 1 . 1 26 26 ARG C C 13 177.298 0.1 . . . . . . . 26 R C . 51203 1 51 . 1 . 1 26 26 ARG CA C 13 55.352 0.1 . . . . . . . 26 R CA . 51203 1 52 . 1 . 1 26 26 ARG CB C 13 29.439 0.1 . . . . . . . 26 R CB . 51203 1 53 . 1 . 1 26 26 ARG N N 15 119.717 0.1 . . . . . . . 26 R N . 51203 1 54 . 1 . 1 27 27 LEU H H 1 8.175 0.01 . . . . . . . 27 L HN . 51203 1 55 . 1 . 1 27 27 LEU C C 13 177.174 0.1 . . . . . . . 27 L C . 51203 1 56 . 1 . 1 27 27 LEU CA C 13 54.275 0.1 . . . . . . . 27 L CA . 51203 1 57 . 1 . 1 27 27 LEU CB C 13 41.492 0.1 . . . . . . . 27 L CB . 51203 1 58 . 1 . 1 27 27 LEU N N 15 123.663 0.1 . . . . . . . 27 L N . 51203 1 59 . 1 . 1 28 28 ALA H H 1 8.185 0.01 . . . . . . . 28 A HN . 51203 1 60 . 1 . 1 28 28 ALA C C 13 178.715 0.1 . . . . . . . 28 A C . 51203 1 61 . 1 . 1 28 28 ALA CA C 13 52.029 0.1 . . . . . . . 28 A CA . 51203 1 62 . 1 . 1 28 28 ALA CB C 13 18.555 0.1 . . . . . . . 28 A CB . 51203 1 63 . 1 . 1 28 28 ALA N N 15 124.858 0.1 . . . . . . . 28 A N . 51203 1 64 . 1 . 1 29 29 GLY H H 1 8.308 0.01 . . . . . . . 29 G HN . 51203 1 65 . 1 . 1 29 29 GLY C C 13 173.926 0.1 . . . . . . . 29 G C . 51203 1 66 . 1 . 1 29 29 GLY CA C 13 45.210 0.1 . . . . . . . 29 G CA . 51203 1 67 . 1 . 1 29 29 GLY N N 15 108.5 0.1 . . . . . . . 29 G N . 51203 1 68 . 1 . 1 30 30 ASP H H 1 8.227 0.01 . . . . . . . 30 D HN . 51203 1 69 . 1 . 1 30 30 ASP C C 13 176.239 0.1 . . . . . . . 30 D C . 51203 1 70 . 1 . 1 30 30 ASP CA C 13 53.616 0.1 . . . . . . . 30 D CA . 51203 1 71 . 1 . 1 30 30 ASP CB C 13 40.498 0.1 . . . . . . . 30 D CB . 51203 1 72 . 1 . 1 30 30 ASP N N 15 120.898 0.1 . . . . . . . 30 D N . 51203 1 73 . 1 . 1 31 31 GLN H H 1 8.384 0.01 . . . . . . . 31 Q HN . 51203 1 74 . 1 . 1 31 31 GLN C C 13 176.830 0.1 . . . . . . . 31 Q C . 51203 1 75 . 1 . 1 31 31 GLN CA C 13 56.107 0.1 . . . . . . . 31 Q CA . 51203 1 76 . 1 . 1 31 31 GLN CB C 13 31.613 0.1 . . . . . . . 31 Q CB . 51203 1 77 . 1 . 1 31 31 GLN N N 15 120.857 0.1 . . . . . . . 31 Q N . 51203 1 78 . 1 . 1 32 32 GLN H H 1 8.444 0.01 . . . . . . . 32 Q HN . 51203 1 79 . 1 . 1 32 32 GLN CA C 13 55.617 0.1 . . . . . . . 32 Q CA . 51203 1 80 . 1 . 1 32 32 GLN CB C 13 28.510 0.1 . . . . . . . 32 Q CB . 51203 1 81 . 1 . 1 32 32 GLN N N 15 122.121 0.1 . . . . . . . 32 Q N . 51203 1 82 . 1 . 1 33 33 SER H H 1 8.371 0.01 . . . . . . . 33 S HN . 51203 1 83 . 1 . 1 33 33 SER C C 13 174.178 0.1 . . . . . . . 33 S C . 51203 1 84 . 1 . 1 33 33 SER CA C 13 57.907 0.1 . . . . . . . 33 S CA . 51203 1 85 . 1 . 1 33 33 SER CB C 13 62.973 0.1 . . . . . . . 33 S CB . 51203 1 86 . 1 . 1 33 33 SER N N 15 117.396 0.1 . . . . . . . 33 S N . 51203 1 87 . 1 . 1 34 34 ILE H H 1 8.137 0.01 . . . . . . . 34 I HN . 51203 1 88 . 1 . 1 34 34 ILE C C 13 176.176 0.1 . . . . . . . 34 I C . 51203 1 89 . 1 . 1 34 34 ILE CA C 13 60.430 0.1 . . . . . . . 34 I CA . 51203 1 90 . 1 . 1 34 34 ILE CB C 13 37.911 0.1 . . . . . . . 34 I CB . 51203 1 91 . 1 . 1 34 34 ILE N N 15 122.706 0.1 . . . . . . . 34 I N . 51203 1 92 . 1 . 1 35 35 ASN H H 1 8.406 0.01 . . . . . . . 35 N HN . 51203 1 93 . 1 . 1 35 35 ASN C C 13 176.238 0.1 . . . . . . . 35 N C . 51203 1 94 . 1 . 1 35 35 ASN CA C 13 53.823 0.1 . . . . . . . 35 N CA . 51203 1 95 . 1 . 1 35 35 ASN CB C 13 40.395 0.1 . . . . . . . 35 N CB . 51203 1 96 . 1 . 1 35 35 ASN N N 15 125.027 0.1 . . . . . . . 35 N N . 51203 1 97 . 1 . 1 36 36 ASP H H 1 8.275 0.01 . . . . . . . 36 D HN . 51203 1 98 . 1 . 1 36 36 ASP C C 13 176.322 0.1 . . . . . . . 36 D C . 51203 1 99 . 1 . 1 36 36 ASP CA C 13 52.468 0.1 . . . . . . . 36 D CA . 51203 1 100 . 1 . 1 36 36 ASP CB C 13 37.963 0.1 . . . . . . . 36 D CB . 51203 1 101 . 1 . 1 36 36 ASP N N 15 121.202 0.1 . . . . . . . 36 D N . 51203 1 102 . 1 . 1 37 37 ARG H H 1 8.066 0.01 . . . . . . . 37 R HN . 51203 1 103 . 1 . 1 37 37 ARG C C 13 177.428 0.1 . . . . . . . 37 R C . 51203 1 104 . 1 . 1 37 37 ARG CA C 13 56.765 0.1 . . . . . . . 37 R CA . 51203 1 105 . 1 . 1 37 37 ARG CB C 13 29.213 0.1 . . . . . . . 37 R CB . 51203 1 106 . 1 . 1 37 37 ARG N N 15 122.839 0.1 . . . . . . . 37 R N . 51203 1 107 . 1 . 1 38 38 ALA H H 1 8.151 0.01 . . . . . . . 38 A HN . 51203 1 108 . 1 . 1 38 38 ALA CA C 13 52.795 0.1 . . . . . . . 38 A CA . 51203 1 109 . 1 . 1 38 38 ALA CB C 13 17.881 0.1 . . . . . . . 38 A CB . 51203 1 110 . 1 . 1 38 38 ALA N N 15 123.855 0.1 . . . . . . . 38 A N . 51203 1 111 . 1 . 1 39 39 LEU H H 1 8.053 0.01 . . . . . . . 39 L HN . 51203 1 112 . 1 . 1 39 39 LEU C C 13 176.743 0.1 . . . . . . . 39 L C . 51203 1 113 . 1 . 1 39 39 LEU CA C 13 54.663 0.1 . . . . . . . 39 L CA . 51203 1 114 . 1 . 1 39 39 LEU CB C 13 41.333 0.1 . . . . . . . 39 L CB . 51203 1 115 . 1 . 1 39 39 LEU N N 15 120.5 0.1 . . . . . . . 39 L N . 51203 1 116 . 1 . 1 40 40 SER H H 1 8.195 0.01 . . . . . . . 40 S HN . 51203 1 117 . 1 . 1 40 40 SER CA C 13 59.105 0.1 . . . . . . . 40 S CA . 51203 1 118 . 1 . 1 40 40 SER CB C 13 63.961 0.1 . . . . . . . 40 S CB . 51203 1 119 . 1 . 1 40 40 SER N N 15 116.373 0.1 . . . . . . . 40 S N . 51203 1 120 . 1 . 1 42 42 LEU H H 1 8.097 0.01 . . . . . . . 42 L HN . 51203 1 121 . 1 . 1 42 42 LEU C C 13 177.113 0.1 . . . . . . . 42 L C . 51203 1 122 . 1 . 1 42 42 LEU CA C 13 54.804 0.1 . . . . . . . 42 L CA . 51203 1 123 . 1 . 1 42 42 LEU CB C 13 41.602 0.1 . . . . . . . 42 L CB . 51203 1 124 . 1 . 1 42 42 LEU N N 15 119.675 0.1 . . . . . . . 42 L N . 51203 1 125 . 1 . 1 43 43 GLN H H 1 8.266 0.01 . . . . . . . 43 Q HN . 51203 1 126 . 1 . 1 43 43 GLN CA C 13 54.681 0.1 . . . . . . . 43 Q CA . 51203 1 127 . 1 . 1 43 43 GLN CB C 13 29.549 0.1 . . . . . . . 43 Q CB . 51203 1 128 . 1 . 1 43 43 GLN N N 15 121.614 0.1 . . . . . . . 43 Q N . 51203 1 129 . 1 . 1 44 44 ARG H H 1 8.211 0.01 . . . . . . . 44 R HN . 51203 1 130 . 1 . 1 44 44 ARG C C 13 176.707 0.1 . . . . . . . 44 R C . 51203 1 131 . 1 . 1 44 44 ARG CA C 13 56.373 0.1 . . . . . . . 44 R CA . 51203 1 132 . 1 . 1 44 44 ARG CB C 13 29.801 0.1 . . . . . . . 44 R CB . 51203 1 133 . 1 . 1 44 44 ARG N N 15 121.944 0.1 . . . . . . . 44 R N . 51203 1 134 . 1 . 1 45 45 THR H H 1 8.132 0.01 . . . . . . . 45 T HN . 51203 1 135 . 1 . 1 45 45 THR N N 15 115.176 0.1 . . . . . . . 45 T N . 51203 1 136 . 1 . 1 48 48 THR H H 1 8.038 0.01 . . . . . . . 48 T HN . 51203 1 137 . 1 . 1 48 48 THR C C 13 176.113 0.1 . . . . . . . 48 T C . 51203 1 138 . 1 . 1 48 48 THR CA C 13 61.166 0.1 . . . . . . . 48 T CA . 51203 1 139 . 1 . 1 48 48 THR CB C 13 69.231 0.1 . . . . . . . 48 T CB . 51203 1 140 . 1 . 1 48 48 THR N N 15 113.604 0.1 . . . . . . . 48 T N . 51203 1 141 . 1 . 1 49 49 LYS H H 1 8.347 0.01 . . . . . . . 49 K HN . 51203 1 142 . 1 . 1 49 49 LYS CA C 13 56.667 0.1 . . . . . . . 49 K CA . 51203 1 143 . 1 . 1 49 49 LYS CB C 13 33.024 0.1 . . . . . . . 49 K CB . 51203 1 144 . 1 . 1 49 49 LYS N N 15 123.456 0.1 . . . . . . . 49 K N . 51203 1 145 . 1 . 1 51 51 LEU H H 1 7.899 0.01 . . . . . . . 51 L HN . 51203 1 146 . 1 . 1 51 51 LEU CA C 13 53.877 0.1 . . . . . . . 51 L CA . 51203 1 147 . 1 . 1 51 51 LEU CB C 13 40.210 0.1 . . . . . . . 51 L CB . 51203 1 148 . 1 . 1 51 51 LEU N N 15 120.562 0.1 . . . . . . . 51 L N . 51203 1 149 . 1 . 1 52 52 PHE H H 1 7.986 0.01 . . . . . . . 52 F HN . 51203 1 150 . 1 . 1 52 52 PHE CA C 13 60.436 0.1 . . . . . . . 52 F CA . 51203 1 151 . 1 . 1 52 52 PHE CB C 13 38.620 0.1 . . . . . . . 52 F CB . 51203 1 152 . 1 . 1 52 52 PHE N N 15 121.588 0.1 . . . . . . . 52 F N . 51203 1 153 . 1 . 1 54 54 ARG H H 1 8.150 0.01 . . . . . . . 54 R HN . 51203 1 154 . 1 . 1 54 54 ARG C C 13 177.309 0.1 . . . . . . . 54 R C . 51203 1 155 . 1 . 1 54 54 ARG CA C 13 57.649 0.1 . . . . . . . 54 R CA . 51203 1 156 . 1 . 1 54 54 ARG CB C 13 29.871 0.1 . . . . . . . 54 R CB . 51203 1 157 . 1 . 1 54 54 ARG N N 15 120.708 0.1 . . . . . . . 54 R N . 51203 1 158 . 1 . 1 55 55 ARG H H 1 8.211 0.01 . . . . . . . 55 R HN . 51203 1 159 . 1 . 1 55 55 ARG CA C 13 55.836 0.1 . . . . . . . 55 R CA . 51203 1 160 . 1 . 1 55 55 ARG CB C 13 29.594 0.1 . . . . . . . 55 R CB . 51203 1 161 . 1 . 1 55 55 ARG N N 15 122.835 0.1 . . . . . . . 55 R N . 51203 1 162 . 1 . 1 56 56 GLU H H 1 8.292 0.01 . . . . . . . 56 E HN . 51203 1 163 . 1 . 1 56 56 GLU C C 13 176.421 0.1 . . . . . . . 56 E C . 51203 1 164 . 1 . 1 56 56 GLU CA C 13 56.720 0.1 . . . . . . . 56 E CA . 51203 1 165 . 1 . 1 56 56 GLU CB C 13 29.774 0.1 . . . . . . . 56 E CB . 51203 1 166 . 1 . 1 56 56 GLU N N 15 125.880 0.1 . . . . . . . 56 E N . 51203 1 167 . 1 . 1 57 57 GLU H H 1 8.148 0.01 . . . . . . . 57 E HN . 51203 1 168 . 1 . 1 57 57 GLU C C 13 176.441 0.1 . . . . . . . 57 E C . 51203 1 169 . 1 . 1 57 57 GLU CA C 13 55.823 0.1 . . . . . . . 57 E CA . 51203 1 170 . 1 . 1 57 57 GLU CB C 13 29.555 0.1 . . . . . . . 57 E CB . 51203 1 171 . 1 . 1 57 57 GLU N N 15 121.075 0.1 . . . . . . . 57 E N . 51203 1 172 . 1 . 1 58 58 ARG H H 1 8.350 0.01 . . . . . . . 58 R HN . 51203 1 173 . 1 . 1 58 58 ARG C C 13 176.677 0.1 . . . . . . . 58 R C . 51203 1 174 . 1 . 1 58 58 ARG CA C 13 55.236 0.1 . . . . . . . 58 R CA . 51203 1 175 . 1 . 1 58 58 ARG CB C 13 30.374 0.1 . . . . . . . 58 R CB . 51203 1 176 . 1 . 1 58 58 ARG N N 15 122.125 0.1 . . . . . . . 58 R N . 51203 1 177 . 1 . 1 59 59 ARG H H 1 8.444 0.01 . . . . . . . 59 R HN . 51203 1 178 . 1 . 1 59 59 ARG C C 13 176.396 0.1 . . . . . . . 59 R C . 51203 1 179 . 1 . 1 59 59 ARG CA C 13 56.339 0.1 . . . . . . . 59 R CA . 51203 1 180 . 1 . 1 59 59 ARG CB C 13 29.845 0.1 . . . . . . . 59 R CB . 51203 1 181 . 1 . 1 59 59 ARG N N 15 123.286 0.1 . . . . . . . 59 R N . 51203 1 182 . 1 . 1 60 60 ARG H H 1 8.217 0.01 . . . . . . . 60 R HN . 51203 1 183 . 1 . 1 60 60 ARG CA C 13 55.972 0.1 . . . . . . . 60 R CA . 51203 1 184 . 1 . 1 60 60 ARG CB C 13 30.574 0.1 . . . . . . . 60 R CB . 51203 1 185 . 1 . 1 60 60 ARG N N 15 122.227 0.1 . . . . . . . 60 R N . 51203 1 186 . 1 . 1 61 61 TYR H H 1 8.037 0.01 . . . . . . . 61 Y HN . 51203 1 187 . 1 . 1 61 61 TYR N N 15 123.921 0.1 . . . . . . . 61 Y N . 51203 1 188 . 1 . 1 62 62 GLU CA C 13 55.294 0.1 . . . . . . . 62 E CA . 51203 1 189 . 1 . 1 63 63 SER H H 1 8.344 0.01 . . . . . . . 63 S HN . 51203 1 190 . 1 . 1 63 63 SER N N 15 117.481 0.1 . . . . . . . 63 S N . 51203 1 191 . 1 . 1 65 65 LYS H H 1 8.323 0.01 . . . . . . . 65 K HN . 51203 1 192 . 1 . 1 65 65 LYS CA C 13 56.000 0.1 . . . . . . . 65 K CA . 51203 1 193 . 1 . 1 65 65 LYS CB C 13 32.197 0.1 . . . . . . . 65 K CB . 51203 1 194 . 1 . 1 65 65 LYS N N 15 123.273 0.1 . . . . . . . 65 K N . 51203 1 195 . 1 . 1 67 67 ASP H H 1 8.196 0.01 . . . . . . . 67 D HN . 51203 1 196 . 1 . 1 67 67 ASP CA C 13 52.805 0.1 . . . . . . . 67 D CA . 51203 1 197 . 1 . 1 67 67 ASP CB C 13 41.189 0.1 . . . . . . . 67 D CB . 51203 1 198 . 1 . 1 67 67 ASP N N 15 124.695 0.1 . . . . . . . 67 D N . 51203 1 199 . 1 . 1 69 69 ASP H H 1 8.057 0.01 . . . . . . . 69 D HN . 51203 1 200 . 1 . 1 69 69 ASP C C 13 176.186 0.1 . . . . . . . 69 D C . 51203 1 201 . 1 . 1 69 69 ASP CA C 13 53.487 0.1 . . . . . . . 69 D CA . 51203 1 202 . 1 . 1 69 69 ASP CB C 13 40.395 0.1 . . . . . . . 69 D CB . 51203 1 203 . 1 . 1 69 69 ASP N N 15 121.617 0.1 . . . . . . . 69 D N . 51203 1 204 . 1 . 1 70 70 ILE H H 1 8.107 0.01 . . . . . . . 70 I HN . 51203 1 205 . 1 . 1 70 70 ILE C C 13 176.176 0.1 . . . . . . . 70 I C . 51203 1 206 . 1 . 1 70 70 ILE CA C 13 60.262 0.1 . . . . . . . 70 I CA . 51203 1 207 . 1 . 1 70 70 ILE CB C 13 38.246 0.1 . . . . . . . 70 I CB . 51203 1 208 . 1 . 1 70 70 ILE N N 15 121.339 0.1 . . . . . . . 70 I N . 51203 1 209 . 1 . 1 71 71 GLU H H 1 8.468 0.01 . . . . . . . 71 E HN . 51203 1 210 . 1 . 1 71 71 GLU C C 13 176.867 0.1 . . . . . . . 71 E C . 51203 1 211 . 1 . 1 71 71 GLU CA C 13 55.892 0.1 . . . . . . . 71 E CA . 51203 1 212 . 1 . 1 71 71 GLU CB C 13 29.531 0.1 . . . . . . . 71 E CB . 51203 1 213 . 1 . 1 71 71 GLU N N 15 125.027 0.1 . . . . . . . 71 E N . 51203 1 214 . 1 . 1 72 72 THR H H 1 8.128 0.01 . . . . . . . 72 T HN . 51203 1 215 . 1 . 1 72 72 THR C C 13 175.297 0.1 . . . . . . . 72 T C . 51203 1 216 . 1 . 1 72 72 THR N N 15 115.998 0.1 . . . . . . . 72 T N . 51203 1 217 . 1 . 1 73 73 ASP H H 1 8.233 0.01 . . . . . . . 73 D HN . 51203 1 218 . 1 . 1 73 73 ASP N N 15 123.759 0.1 . . . . . . . 73 D N . 51203 1 219 . 1 . 1 75 75 GLU H H 1 8.304 0.01 . . . . . . . 75 E HN . 51203 1 220 . 1 . 1 75 75 GLU CA C 13 56.386 0.1 . . . . . . . 75 E CA . 51203 1 221 . 1 . 1 75 75 GLU CB C 13 31.158 0.1 . . . . . . . 75 E CB . 51203 1 222 . 1 . 1 75 75 GLU N N 15 122.905 0.1 . . . . . . . 75 E N . 51203 1 223 . 1 . 1 76 76 ASP H H 1 8.196 0.01 . . . . . . . 76 D HN . 51203 1 224 . 1 . 1 76 76 ASP C C 13 176.300 0.1 . . . . . . . 76 D C . 51203 1 225 . 1 . 1 76 76 ASP CA C 13 54.520 0.1 . . . . . . . 76 D CA . 51203 1 226 . 1 . 1 76 76 ASP CB C 13 41.245 0.1 . . . . . . . 76 D CB . 51203 1 227 . 1 . 1 76 76 ASP N N 15 121.352 0.1 . . . . . . . 76 D N . 51203 1 228 . 1 . 1 77 77 GLN H H 1 8.250 0.01 . . . . . . . 77 Q HN . 51203 1 229 . 1 . 1 77 77 GLN C C 13 176.361 0.1 . . . . . . . 77 Q C . 51203 1 230 . 1 . 1 77 77 GLN CA C 13 55.320 0.1 . . . . . . . 77 Q CA . 51203 1 231 . 1 . 1 77 77 GLN CB C 13 28.452 0.1 . . . . . . . 77 Q CB . 51203 1 232 . 1 . 1 77 77 GLN N N 15 121.395 0.1 . . . . . . . 77 Q N . 51203 1 233 . 1 . 1 78 78 ALA H H 1 8.309 0.01 . . . . . . . 78 A HN . 51203 1 234 . 1 . 1 78 78 ALA C C 13 178.680 0.1 . . . . . . . 78 A C . 51203 1 235 . 1 . 1 78 78 ALA CA C 13 52.242 0.1 . . . . . . . 78 A CA . 51203 1 236 . 1 . 1 78 78 ALA CB C 13 18.431 0.1 . . . . . . . 78 A CB . 51203 1 237 . 1 . 1 78 78 ALA N N 15 125.059 0.1 . . . . . . . 78 A N . 51203 1 238 . 1 . 1 79 79 GLY H H 1 8.313 0.01 . . . . . . . 79 G HN . 51203 1 239 . 1 . 1 79 79 GLY C C 13 173.944 0.1 . . . . . . . 79 G C . 51203 1 240 . 1 . 1 79 79 GLY CA C 13 44.548 0.1 . . . . . . . 79 G CA . 51203 1 241 . 1 . 1 79 79 GLY N N 15 108.2 0.1 . . . . . . . 79 G N . 51203 1 242 . 1 . 1 80 80 ASN H H 1 8.240 0.01 . . . . . . . 80 N HN . 51203 1 243 . 1 . 1 80 80 ASN C C 13 176.239 0.1 . . . . . . . 80 N C . 51203 1 244 . 1 . 1 80 80 ASN CA C 13 52.455 0.1 . . . . . . . 80 N CA . 51203 1 245 . 1 . 1 80 80 ASN CB C 13 38.234 0.1 . . . . . . . 80 N CB . 51203 1 246 . 1 . 1 80 80 ASN N N 15 119.188 0.1 . . . . . . . 80 N N . 51203 1 247 . 1 . 1 82 82 GLU H H 1 8.372 0.01 . . . . . . . 82 E HN . 51203 1 248 . 1 . 1 82 82 GLU C C 13 177.045 0.1 . . . . . . . 82 E C . 51203 1 249 . 1 . 1 82 82 GLU CA C 13 55.726 0.1 . . . . . . . 82 E CA . 51203 1 250 . 1 . 1 82 82 GLU CB C 13 29.452 0.1 . . . . . . . 82 E CB . 51203 1 251 . 1 . 1 82 82 GLU N N 15 122.488 0.1 . . . . . . . 82 E N . 51203 1 252 . 1 . 1 83 83 ILE H H 1 8.063 0.01 . . . . . . . 83 I HN . 51203 1 253 . 1 . 1 83 83 ILE C C 13 176.112 0.1 . . . . . . . 83 I C . 51203 1 254 . 1 . 1 83 83 ILE CA C 13 60.121 0.1 . . . . . . . 83 I CA . 51203 1 255 . 1 . 1 83 83 ILE CB C 13 38.208 0.1 . . . . . . . 83 I CB . 51203 1 256 . 1 . 1 83 83 ILE N N 15 122.175 0.1 . . . . . . . 83 I N . 51203 1 257 . 1 . 1 84 84 GLU H H 1 8.528 0.01 . . . . . . . 84 E HN . 51203 1 258 . 1 . 1 84 84 GLU C C 13 176.802 0.1 . . . . . . . 84 E C . 51203 1 259 . 1 . 1 84 84 GLU CA C 13 55.892 0.1 . . . . . . . 84 E CA . 51203 1 260 . 1 . 1 84 84 GLU CB C 13 29.636 0.1 . . . . . . . 84 E CB . 51203 1 261 . 1 . 1 84 84 GLU N N 15 125.948 0.1 . . . . . . . 84 E N . 51203 1 262 . 1 . 1 85 85 THR H H 1 8.222 0.01 . . . . . . . 85 T HN . 51203 1 263 . 1 . 1 85 85 THR C C 13 175.117 0.1 . . . . . . . 85 T C . 51203 1 264 . 1 . 1 85 85 THR CA C 13 62.295 0.1 . . . . . . . 85 T CA . 51203 1 265 . 1 . 1 85 85 THR CB C 13 68.999 0.1 . . . . . . . 85 T CB . 51203 1 266 . 1 . 1 85 85 THR N N 15 116.362 0.1 . . . . . . . 85 T N . 51203 1 267 . 1 . 1 86 86 GLU H H 1 8.528 0.01 . . . . . . . 86 E HN . 51203 1 268 . 1 . 1 86 86 GLU CA C 13 56.733 0.1 . . . . . . . 86 E CA . 51203 1 269 . 1 . 1 86 86 GLU CB C 13 30.314 0.1 . . . . . . . 86 E CB . 51203 1 270 . 1 . 1 86 86 GLU N N 15 123.225 0.1 . . . . . . . 86 E N . 51203 1 271 . 1 . 1 88 88 GLU H H 1 8.313 0.01 . . . . . . . 88 E HN . 51203 1 272 . 1 . 1 88 88 GLU C C 13 176.930 0.1 . . . . . . . 88 E C . 51203 1 273 . 1 . 1 88 88 GLU CA C 13 56.902 0.1 . . . . . . . 88 E CA . 51203 1 274 . 1 . 1 88 88 GLU CB C 13 30.539 0.1 . . . . . . . 88 E CB . 51203 1 275 . 1 . 1 88 88 GLU N N 15 121.374 0.1 . . . . . . . 88 E N . 51203 1 276 . 1 . 1 90 90 GLU H H 1 8.253 0.01 . . . . . . . 90 E HN . 51203 1 277 . 1 . 1 90 90 GLU C C 13 177.359 0.1 . . . . . . . 90 E C . 51203 1 278 . 1 . 1 90 90 GLU CA C 13 55.881 0.1 . . . . . . . 90 E CA . 51203 1 279 . 1 . 1 90 90 GLU CB C 13 30.026 0.1 . . . . . . . 90 E CB . 51203 1 280 . 1 . 1 90 90 GLU N N 15 123.199 0.1 . . . . . . . 90 E N . 51203 1 281 . 1 . 1 91 91 ALA H H 1 8.245 0.01 . . . . . . . 91 A HN . 51203 1 282 . 1 . 1 91 91 ALA C C 13 177.612 0.1 . . . . . . . 91 A C . 51203 1 283 . 1 . 1 91 91 ALA CA C 13 52.279 0.1 . . . . . . . 91 A CA . 51203 1 284 . 1 . 1 91 91 ALA CB C 13 18.480 0.1 . . . . . . . 91 A CB . 51203 1 285 . 1 . 1 91 91 ALA N N 15 124.887 0.1 . . . . . . . 91 A N . 51203 1 286 . 1 . 1 92 92 GLU H H 1 7.981 0.01 . . . . . . . 92 E HN . 51203 1 287 . 1 . 1 92 92 GLU CA C 13 55.204 0.1 . . . . . . . 92 E CA . 51203 1 288 . 1 . 1 92 92 GLU CB C 13 30.226 0.1 . . . . . . . 92 E CB . 51203 1 289 . 1 . 1 92 92 GLU N N 15 120.095 0.1 . . . . . . . 92 E N . 51203 1 290 . 1 . 1 93 93 MET H H 1 8.498 0.01 . . . . . . . 93 M HN . 51203 1 291 . 1 . 1 93 93 MET C C 13 176.115 0.1 . . . . . . . 93 M C . 51203 1 292 . 1 . 1 93 93 MET CA C 13 54.675 0.1 . . . . . . . 93 M CA . 51203 1 293 . 1 . 1 93 93 MET CB C 13 32.465 0.1 . . . . . . . 93 M CB . 51203 1 294 . 1 . 1 93 93 MET N N 15 123.536 0.1 . . . . . . . 93 M N . 51203 1 295 . 1 . 1 94 94 GLU H H 1 8.533 0.01 . . . . . . . 94 E HN . 51203 1 296 . 1 . 1 94 94 GLU C C 13 176.765 0.1 . . . . . . . 94 E C . 51203 1 297 . 1 . 1 94 94 GLU CA C 13 55.810 0.1 . . . . . . . 94 E CA . 51203 1 298 . 1 . 1 94 94 GLU CB C 13 29.590 0.1 . . . . . . . 94 E CB . 51203 1 299 . 1 . 1 94 94 GLU N N 15 123.417 0.1 . . . . . . . 94 E N . 51203 1 300 . 1 . 1 95 95 THR H H 1 8.179 0.01 . . . . . . . 95 T HN . 51203 1 301 . 1 . 1 95 95 THR C C 13 174.678 0.1 . . . . . . . 95 T C . 51203 1 302 . 1 . 1 95 95 THR CA C 13 61.254 0.1 . . . . . . . 95 T CA . 51203 1 303 . 1 . 1 95 95 THR CB C 13 69.173 0.1 . . . . . . . 95 T CB . 51203 1 304 . 1 . 1 95 95 THR N N 15 116.001 0.1 . . . . . . . 95 T N . 51203 1 305 . 1 . 1 97 97 VAL H H 1 8.318 0.01 . . . . . . . 97 V HN . 51203 1 306 . 1 . 1 97 97 VAL CA C 13 59.192 0.1 . . . . . . . 97 V CA . 51203 1 307 . 1 . 1 97 97 VAL CB C 13 32.995 0.1 . . . . . . . 97 V CB . 51203 1 308 . 1 . 1 97 97 VAL N N 15 123.696 0.1 . . . . . . . 97 V N . 51203 1 309 . 1 . 1 99 99 ALA H H 1 8.407 0.01 . . . . . . . 99 A HN . 51203 1 310 . 1 . 1 99 99 ALA CA C 13 52.027 0.1 . . . . . . . 99 A CA . 51203 1 311 . 1 . 1 99 99 ALA CB C 13 18.875 0.1 . . . . . . . 99 A CB . 51203 1 312 . 1 . 1 99 99 ALA N N 15 125.319 0.1 . . . . . . . 99 A N . 51203 1 313 . 1 . 1 102 102 ARG H H 1 8.455 0.01 . . . . . . . 102 R HN . 51203 1 314 . 1 . 1 102 102 ARG CA C 13 56.920 0.1 . . . . . . . 102 R CA . 51203 1 315 . 1 . 1 102 102 ARG CB C 13 30.361 0.1 . . . . . . . 102 R CB . 51203 1 316 . 1 . 1 102 102 ARG N N 15 121.768 0.1 . . . . . . . 102 R N . 51203 1 317 . 1 . 1 104 104 HIS H H 1 8.246 0.01 . . . . . . . 104 H HN . 51203 1 318 . 1 . 1 104 104 HIS CA C 13 57.089 0.1 . . . . . . . 104 H CA . 51203 1 319 . 1 . 1 104 104 HIS CB C 13 29.726 0.1 . . . . . . . 104 H CB . 51203 1 320 . 1 . 1 104 104 HIS N N 15 123.489 0.1 . . . . . . . 104 H N . 51203 1 321 . 1 . 1 106 106 TYR H H 1 8.355 0.01 . . . . . . . 106 Y HN . 51203 1 322 . 1 . 1 106 106 TYR N N 15 124.988 0.1 . . . . . . . 106 Y N . 51203 1 323 . 1 . 1 109 109 ASP H H 1 8.195 0.01 . . . . . . . 109 D HN . 51203 1 324 . 1 . 1 109 109 ASP C C 13 175.808 0.1 . . . . . . . 109 D C . 51203 1 325 . 1 . 1 109 109 ASP N N 15 120.598 0.1 . . . . . . . 109 D N . 51203 1 326 . 1 . 1 110 110 ARG H H 1 8.268 0.01 . . . . . . . 110 R HN . 51203 1 327 . 1 . 1 110 110 ARG CA C 13 55.875 0.1 . . . . . . . 110 R CA . 51203 1 328 . 1 . 1 110 110 ARG CB C 13 29.974 0.1 . . . . . . . 110 R CB . 51203 1 329 . 1 . 1 110 110 ARG N N 15 121.809 0.1 . . . . . . . 110 R N . 51203 1 330 . 1 . 1 111 111 TYR H H 1 8.182 0.01 . . . . . . . 111 Y HN . 51203 1 331 . 1 . 1 111 111 TYR CA C 13 56.522 0.1 . . . . . . . 111 Y CA . 51203 1 332 . 1 . 1 111 111 TYR CB C 13 38.813 0.1 . . . . . . . 111 Y CB . 51203 1 333 . 1 . 1 111 111 TYR N N 15 121.558 0.1 . . . . . . . 111 Y N . 51203 1 334 . 1 . 1 113 113 ARG H H 1 8.461 0.01 . . . . . . . 113 R HN . 51203 1 335 . 1 . 1 113 113 ARG CA C 13 55.832 0.1 . . . . . . . 113 R CA . 51203 1 336 . 1 . 1 113 113 ARG CB C 13 29.650 0.1 . . . . . . . 113 R CB . 51203 1 337 . 1 . 1 113 113 ARG N N 15 123.015 0.1 . . . . . . . 113 R N . 51203 1 338 . 1 . 1 114 114 GLN H H 1 8.510 0.01 . . . . . . . 114 Q HN . 51203 1 339 . 1 . 1 114 114 GLN C C 13 176.796 0.1 . . . . . . . 114 Q C . 51203 1 340 . 1 . 1 114 114 GLN CA C 13 55.539 0.1 . . . . . . . 114 Q CA . 51203 1 341 . 1 . 1 114 114 GLN CB C 13 29.820 0.1 . . . . . . . 114 Q CB . 51203 1 342 . 1 . 1 114 114 GLN N N 15 120.712 0.1 . . . . . . . 114 Q N . 51203 1 343 . 1 . 1 115 115 LYS H H 1 8.342 0.01 . . . . . . . 115 K HN . 51203 1 344 . 1 . 1 115 115 LYS C C 13 177.050 0.1 . . . . . . . 115 K C . 51203 1 345 . 1 . 1 115 115 LYS CA C 13 54.746 0.1 . . . . . . . 115 K CA . 51203 1 346 . 1 . 1 115 115 LYS CB C 13 32.491 0.1 . . . . . . . 115 K CB . 51203 1 347 . 1 . 1 115 115 LYS N N 15 123.877 0.1 . . . . . . . 115 K N . 51203 1 348 . 1 . 1 117 117 ARG H H 1 8.398 0.01 . . . . . . . 117 R HN . 51203 1 349 . 1 . 1 117 117 ARG C C 13 176.488 0.1 . . . . . . . 117 R C . 51203 1 350 . 1 . 1 117 117 ARG CA C 13 56.120 0.1 . . . . . . . 117 R CA . 51203 1 351 . 1 . 1 117 117 ARG CB C 13 29.826 0.1 . . . . . . . 117 R CB . 51203 1 352 . 1 . 1 117 117 ARG N N 15 122.732 0.1 . . . . . . . 117 R N . 51203 1 353 . 1 . 1 118 118 GLU H H 1 8.451 0.01 . . . . . . . 118 E HN . 51203 1 354 . 1 . 1 118 118 GLU CA C 13 55.371 0.1 . . . . . . . 118 E CA . 51203 1 355 . 1 . 1 118 118 GLU CB C 13 28.703 0.1 . . . . . . . 118 E CB . 51203 1 356 . 1 . 1 118 118 GLU N N 15 122.352 0.1 . . . . . . . 118 E N . 51203 1 357 . 1 . 1 119 119 LYS H H 1 8.127 0.01 . . . . . . . 119 K HN . 51203 1 358 . 1 . 1 119 119 LYS N N 15 122.768 0.1 . . . . . . . 119 K N . 51203 1 359 . 1 . 1 121 121 ARG H H 1 8.324 0.01 . . . . . . . 121 R HN . 51203 1 360 . 1 . 1 121 121 ARG C C 13 176.210 0.1 . . . . . . . 121 R C . 51203 1 361 . 1 . 1 121 121 ARG CA C 13 55.636 0.1 . . . . . . . 121 R CA . 51203 1 362 . 1 . 1 121 121 ARG CB C 13 29.910 0.1 . . . . . . . 121 R CB . 51203 1 363 . 1 . 1 121 121 ARG N N 15 122.245 0.1 . . . . . . . 121 R N . 51203 1 364 . 1 . 1 122 122 LYS H H 1 8.324 0.01 . . . . . . . 122 K HN . 51203 1 365 . 1 . 1 122 122 LYS CA C 13 56.677 0.1 . . . . . . . 122 K CA . 51203 1 366 . 1 . 1 122 122 LYS CB C 13 31.139 0.1 . . . . . . . 122 K CB . 51203 1 367 . 1 . 1 122 122 LYS N N 15 122.457 0.1 . . . . . . . 122 K N . 51203 1 368 . 1 . 1 128 128 VAL H H 1 8.120 0.01 . . . . . . . 128 V HN . 51203 1 369 . 1 . 1 128 128 VAL C C 13 175.462 0.1 . . . . . . . 128 V C . 51203 1 370 . 1 . 1 128 128 VAL CA C 13 62.398 0.1 . . . . . . . 128 V CA . 51203 1 371 . 1 . 1 128 128 VAL CB C 13 31.575 0.1 . . . . . . . 128 V CB . 51203 1 372 . 1 . 1 128 128 VAL N N 15 120.766 0.1 . . . . . . . 128 V N . 51203 1 373 . 1 . 1 129 129 GLU H H 1 8.539 0.01 . . . . . . . 129 E HN . 51203 1 374 . 1 . 1 129 129 GLU CA C 13 56.808 0.1 . . . . . . . 129 E CA . 51203 1 375 . 1 . 1 129 129 GLU CB C 13 30.305 0.1 . . . . . . . 129 E CB . 51203 1 376 . 1 . 1 129 129 GLU N N 15 122.869 0.1 . . . . . . . 129 E N . 51203 1 stop_ save_