data_27107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27107 _Entry.Title ; Backbone and beta carbon 1H, 13C, and 15N chemical shift assignments for the worm complexin-1 CTD in the presence of dodecylphosphocholine micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-15 _Entry.Accession_date 2017-05-15 _Entry.Last_release_date 2017-05-16 _Entry.Original_release_date 2017-05-16 _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 David Snead . DMS . . 27107 2 David Eliezer . DAE . . 27107 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Weill Cornell Medicine' . 27107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 148 27107 '15N chemical shifts' 48 27107 '1H chemical shifts' 48 27107 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 . . 2021-07-22 . original BMRB . 27107 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27107 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28596722 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Unique Structural Features of Membrane-Bound C-Terminal Domain Motifs Modulate Complexin Inhibitory Function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front Mol. Neurosci.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1662-5099 _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 154 _Citation.Page_last 154 _Citation.Year 2017 _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 David Snead D. . . . 27107 1 2 Alex Lai A. L. . . 27107 1 3 Rachel Wragg R. T. . . 27107 1 4 Daniel Parisotto D. A. . . 27107 1 5 Trudy Ramlall T. F. . . 27107 1 6 Jeremy Dittman J. S. . . 27107 1 7 Jack Freed J. H. . . 27107 1 8 David Eliezer D. . . . 27107 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ESR 27107 1 NMR 27107 1 'amphipathic helix' 27107 1 complexin 27107 1 'membrane curvature' 27107 1 micelles 27107 1 pi-bulge 27107 1 proteins 27107 1 'synaptic transmission' 27107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27107 _Assembly.ID 1 _Assembly.Name 'complexin-1 bound to DPC micelles' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'complexin-1 C-terminal domain' 1 $complexin-1_C-terminal_domain A . yes native no no . . . 27107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_complexin-1_C-terminal_domain _Entity.Sf_category entity _Entity.Sf_framecode complexin-1_C-terminal_domain _Entity.Entry_ID 27107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name complexin-1_C-terminal_domain _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 ; GGPRKTPEEIAAEMNAEDDS LIGQLGLTEQVEKAKTMATG AFETVKGFFPFGK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'synaptic transmission' 27107 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 91 GLY . 27107 1 2 92 GLY . 27107 1 3 93 PRO . 27107 1 4 94 ARG . 27107 1 5 95 LYS . 27107 1 6 96 THR . 27107 1 7 97 PRO . 27107 1 8 98 GLU . 27107 1 9 99 GLU . 27107 1 10 100 ILE . 27107 1 11 101 ALA . 27107 1 12 102 ALA . 27107 1 13 103 GLU . 27107 1 14 104 MET . 27107 1 15 105 ASN . 27107 1 16 106 ALA . 27107 1 17 107 GLU . 27107 1 18 108 ASP . 27107 1 19 109 ASP . 27107 1 20 110 SER . 27107 1 21 111 LEU . 27107 1 22 112 ILE . 27107 1 23 113 GLY . 27107 1 24 114 GLN . 27107 1 25 115 LEU . 27107 1 26 116 GLY . 27107 1 27 117 LEU . 27107 1 28 118 THR . 27107 1 29 119 GLU . 27107 1 30 120 GLN . 27107 1 31 121 VAL . 27107 1 32 122 GLU . 27107 1 33 123 LYS . 27107 1 34 124 ALA . 27107 1 35 125 LYS . 27107 1 36 126 THR . 27107 1 37 127 MET . 27107 1 38 128 ALA . 27107 1 39 129 THR . 27107 1 40 130 GLY . 27107 1 41 131 ALA . 27107 1 42 132 PHE . 27107 1 43 133 GLU . 27107 1 44 134 THR . 27107 1 45 135 VAL . 27107 1 46 136 LYS . 27107 1 47 137 GLY . 27107 1 48 138 PHE . 27107 1 49 139 PHE . 27107 1 50 140 PRO . 27107 1 51 141 PHE . 27107 1 52 142 GLY . 27107 1 53 143 LYS . 27107 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 27107 1 . GLY 2 2 27107 1 . PRO 3 3 27107 1 . ARG 4 4 27107 1 . LYS 5 5 27107 1 . THR 6 6 27107 1 . PRO 7 7 27107 1 . GLU 8 8 27107 1 . GLU 9 9 27107 1 . ILE 10 10 27107 1 . ALA 11 11 27107 1 . ALA 12 12 27107 1 . GLU 13 13 27107 1 . MET 14 14 27107 1 . ASN 15 15 27107 1 . ALA 16 16 27107 1 . GLU 17 17 27107 1 . ASP 18 18 27107 1 . ASP 19 19 27107 1 . SER 20 20 27107 1 . LEU 21 21 27107 1 . ILE 22 22 27107 1 . GLY 23 23 27107 1 . GLN 24 24 27107 1 . LEU 25 25 27107 1 . GLY 26 26 27107 1 . LEU 27 27 27107 1 . THR 28 28 27107 1 . GLU 29 29 27107 1 . GLN 30 30 27107 1 . VAL 31 31 27107 1 . GLU 32 32 27107 1 . LYS 33 33 27107 1 . ALA 34 34 27107 1 . LYS 35 35 27107 1 . THR 36 36 27107 1 . MET 37 37 27107 1 . ALA 38 38 27107 1 . THR 39 39 27107 1 . GLY 40 40 27107 1 . ALA 41 41 27107 1 . PHE 42 42 27107 1 . GLU 43 43 27107 1 . THR 44 44 27107 1 . VAL 45 45 27107 1 . LYS 46 46 27107 1 . GLY 47 47 27107 1 . PHE 48 48 27107 1 . PHE 49 49 27107 1 . PRO 50 50 27107 1 . PHE 51 51 27107 1 . GLY 52 52 27107 1 . LYS 53 53 27107 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27107 _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 $complexin-1_C-terminal_domain . 6239 organism . 'Caenorhabditis elegans' 'C. elegans' . . Eukaryota Metazoa Caenorhabditis elegans . . . . . . . . . . . . . 27107 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27107 _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 $complexin-1_C-terminal_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET SUMO' . . . 27107 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27107 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 'complexin-1 C-terminal domain' '[U-13C; U-15N; U-2H]' . . 1 $complexin-1_C-terminal_domain . . 650 300 1000 uM . . . . 27107 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 27107 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'PBS buffer pH 6.1, with ~55 mM dodecylphosphocholine (DPC)' 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' 0.11 . M 27107 1 pH 6.1 . pH 27107 1 pressure 1 . atm 27107 1 temperature 313 . K 27107 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27107 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27107 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27107 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27107 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27107 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27107 1 2 spectrometer_2 Varian INOVA . 600 . . . 27107 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27107 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27107 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27107 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27107 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27107 1 5 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27107 1 6 HN(CA)CO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 27107 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27107 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 external indirect 0.251449530 . . . . . 27107 1 H 1 water protons . . . . ppm 4.629638 internal direct 1 . . . . . 27107 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 27107 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 27107 1 2 '3D HNCO' . . . 27107 1 3 '3D HNCACB' . . . 27107 1 4 '3D HN(CO)CA' . . . 27107 1 5 '3D HN(COCA)CB' . . . 27107 1 6 HN(CA)CO . . . 27107 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 PRO C C 13 76.9721832 . . . . . . . . 93 PRO C . 27107 1 2 . 1 . 1 3 3 PRO CA C 13 62.51211166 . . . . . . . . 93 PRO CA . 27107 1 3 . 1 . 1 3 3 PRO CB C 13 30.99514008 . . . . . . . . 93 PRO CB . 27107 1 4 . 1 . 1 4 4 ARG H H 1 8.278209686 . . . . . . . . 94 ARG H . 27107 1 5 . 1 . 1 4 4 ARG C C 13 176.292984 . . . . . . . . 94 ARG C . 27107 1 6 . 1 . 1 4 4 ARG CA C 13 55.54219818 . . . . . . . . 94 ARG CA . 27107 1 7 . 1 . 1 4 4 ARG CB C 13 29.89325905 . . . . . . . . 94 ARG CB . 27107 1 8 . 1 . 1 4 4 ARG N N 15 121.7316132 . . . . . . . . 94 ARG N . 27107 1 9 . 1 . 1 5 5 LYS H H 1 8.238519669 . . . . . . . . 95 LYS H . 27107 1 10 . 1 . 1 5 5 LYS C C 13 176.6025391 . . . . . . . . 95 LYS C . 27107 1 11 . 1 . 1 5 5 LYS CA C 13 55.60388184 . . . . . . . . 95 LYS CA . 27107 1 12 . 1 . 1 5 5 LYS CB C 13 32.88985062 . . . . . . . . 95 LYS CB . 27107 1 13 . 1 . 1 5 5 LYS N N 15 123.6190567 . . . . . . . . 95 LYS N . 27107 1 14 . 1 . 1 6 6 THR H H 1 8.377750397 . . . . . . . . 96 THR H . 27107 1 15 . 1 . 1 6 6 THR C C 13 173.470993 . . . . . . . . 96 THR C . 27107 1 16 . 1 . 1 6 6 THR CA C 13 59.59056091 . . . . . . . . 96 THR CA . 27107 1 17 . 1 . 1 6 6 THR CB C 13 68.57684326 . . . . . . . . 96 THR CB . 27107 1 18 . 1 . 1 6 6 THR N N 15 116.2174988 . . . . . . . . 96 THR N . 27107 1 19 . 1 . 1 7 7 PRO C C 13 178.4483 . . . . . . . . 97 PRO C . 27107 1 20 . 1 . 1 7 7 PRO CA C 13 64.33695221 . . . . . . . . 97 PRO CA . 27107 1 21 . 1 . 1 7 7 PRO CB C 13 30.97784042 . . . . . . . . 97 PRO CB . 27107 1 22 . 1 . 1 8 8 GLU H H 1 8.57831955 . . . . . . . . 98 GLU H . 27107 1 23 . 1 . 1 8 8 GLU C C 13 178.143219 . . . . . . . . 98 GLU C . 27107 1 24 . 1 . 1 8 8 GLU CA C 13 58.28615952 . . . . . . . . 98 GLU CA . 27107 1 25 . 1 . 1 8 8 GLU CB C 13 28.49754906 . . . . . . . . 98 GLU CB . 27107 1 26 . 1 . 1 8 8 GLU N N 15 119.0462036 . . . . . . . . 98 GLU N . 27107 1 27 . 1 . 1 9 9 GLU H H 1 7.958620071 . . . . . . . . 99 GLU H . 27107 1 28 . 1 . 1 9 9 GLU C C 13 178.0527954 . . . . . . . . 99 GLU C . 27107 1 29 . 1 . 1 9 9 GLU CA C 13 57.58858109 . . . . . . . . 99 GLU CA . 27107 1 30 . 1 . 1 9 9 GLU CB C 13 29.35280991 . . . . . . . . 99 GLU CB . 27107 1 31 . 1 . 1 9 9 GLU N N 15 121.813652 . . . . . . . . 99 GLU N . 27107 1 32 . 1 . 1 10 10 ILE H H 1 7.987659931 . . . . . . . . 100 ILE H . 27107 1 33 . 1 . 1 10 10 ILE C C 13 177.3727875 . . . . . . . . 100 ILE C . 27107 1 34 . 1 . 1 10 10 ILE CA C 13 62.44487 . . . . . . . . 100 ILE CA . 27107 1 35 . 1 . 1 10 10 ILE CB C 13 37.39110947 . . . . . . . . 100 ILE CB . 27107 1 36 . 1 . 1 10 10 ILE N N 15 121.6238327 . . . . . . . . 100 ILE N . 27107 1 37 . 1 . 1 11 11 ALA H H 1 8.056889534 . . . . . . . . 101 ALA H . 27107 1 38 . 1 . 1 11 11 ALA C C 13 178.594223 . . . . . . . . 101 ALA C . 27107 1 39 . 1 . 1 11 11 ALA CA C 13 53.01063156 . . . . . . . . 101 ALA CA . 27107 1 40 . 1 . 1 11 11 ALA CB C 13 17.8380394 . . . . . . . . 101 ALA CB . 27107 1 41 . 1 . 1 11 11 ALA N N 15 124.8231735 . . . . . . . . 101 ALA N . 27107 1 42 . 1 . 1 12 12 ALA H H 1 7.781829834 . . . . . . . . 102 ALA H . 27107 1 43 . 1 . 1 12 12 ALA C C 13 178.7156219 . . . . . . . . 102 ALA C . 27107 1 44 . 1 . 1 12 12 ALA CA C 13 52.89999008 . . . . . . . . 102 ALA CA . 27107 1 45 . 1 . 1 12 12 ALA CB C 13 18.01148033 . . . . . . . . 102 ALA CB . 27107 1 46 . 1 . 1 12 12 ALA N N 15 121.4742508 . . . . . . . . 102 ALA N . 27107 1 47 . 1 . 1 13 13 GLU H H 1 7.909500122 . . . . . . . . 103 GLU H . 27107 1 48 . 1 . 1 13 13 GLU C C 13 177.1771088 . . . . . . . . 103 GLU C . 27107 1 49 . 1 . 1 13 13 GLU CA C 13 56.64884186 . . . . . . . . 103 GLU CA . 27107 1 50 . 1 . 1 13 13 GLU CB C 13 29.1112709 . . . . . . . . 103 GLU CB . 27107 1 51 . 1 . 1 13 13 GLU N N 15 118.9404068 . . . . . . . . 103 GLU N . 27107 1 52 . 1 . 1 14 14 MET H H 1 7.989250183 . . . . . . . . 104 MET H . 27107 1 53 . 1 . 1 14 14 MET C C 13 176.2197876 . . . . . . . . 104 MET C . 27107 1 54 . 1 . 1 14 14 MET CA C 13 55.64748001 . . . . . . . . 104 MET CA . 27107 1 55 . 1 . 1 14 14 MET CB C 13 31.98899078 . . . . . . . . 104 MET CB . 27107 1 56 . 1 . 1 14 14 MET N N 15 120.0906677 . . . . . . . . 104 MET N . 27107 1 57 . 1 . 1 15 15 ASN H H 1 8.203789711 . . . . . . . . 105 ASN H . 27107 1 58 . 1 . 1 15 15 ASN C C 13 174.8764954 . . . . . . . . 105 ASN C . 27107 1 59 . 1 . 1 15 15 ASN CA C 13 52.85192108 . . . . . . . . 105 ASN CA . 27107 1 60 . 1 . 1 15 15 ASN CB C 13 38.44565964 . . . . . . . . 105 ASN CB . 27107 1 61 . 1 . 1 15 15 ASN N N 15 119.740593 . . . . . . . . 105 ASN N . 27107 1 62 . 1 . 1 16 16 ALA H H 1 8.080269814 . . . . . . . . 106 ALA H . 27107 1 63 . 1 . 1 16 16 ALA C C 13 177.7799835 . . . . . . . . 106 ALA C . 27107 1 64 . 1 . 1 16 16 ALA CA C 13 52.43172836 . . . . . . . . 106 ALA CA . 27107 1 65 . 1 . 1 16 16 ALA CB C 13 18.52397919 . . . . . . . . 106 ALA CB . 27107 1 66 . 1 . 1 16 16 ALA N N 15 124.8231735 . . . . . . . . 106 ALA N . 27107 1 67 . 1 . 1 17 17 GLU H H 1 8.215200424 . . . . . . . . 107 GLU H . 27107 1 68 . 1 . 1 17 17 GLU C C 13 176.2723389 . . . . . . . . 107 GLU C . 27107 1 69 . 1 . 1 17 17 GLU CA C 13 56.23200989 . . . . . . . . 107 GLU CA . 27107 1 70 . 1 . 1 17 17 GLU CB C 13 29.40870094 . . . . . . . . 107 GLU CB . 27107 1 71 . 1 . 1 17 17 GLU N N 15 120.0576782 . . . . . . . . 107 GLU N . 27107 1 72 . 1 . 1 18 18 ASP H H 1 8.142860413 . . . . . . . . 108 ASP H . 27107 1 73 . 1 . 1 18 18 ASP C C 13 175.7939148 . . . . . . . . 108 ASP C . 27107 1 74 . 1 . 1 18 18 ASP CA C 13 53.96020889 . . . . . . . . 108 ASP CA . 27107 1 75 . 1 . 1 18 18 ASP CB C 13 40.60379028 . . . . . . . . 108 ASP CB . 27107 1 76 . 1 . 1 18 18 ASP N N 15 121.3968506 . . . . . . . . 108 ASP N . 27107 1 77 . 1 . 1 19 19 ASP H H 1 8.180549622 . . . . . . . . 109 ASP H . 27107 1 78 . 1 . 1 19 19 ASP C C 13 176.226181 . . . . . . . . 109 ASP C . 27107 1 79 . 1 . 1 19 19 ASP CA C 13 53.66542816 . . . . . . . . 109 ASP CA . 27107 1 80 . 1 . 1 19 19 ASP CB C 13 40.4504509 . . . . . . . . 109 ASP CB . 27107 1 81 . 1 . 1 19 19 ASP N N 15 122.3870163 . . . . . . . . 109 ASP N . 27107 1 82 . 1 . 1 20 20 SER H H 1 8.155730247 . . . . . . . . 110 SER H . 27107 1 83 . 1 . 1 20 20 SER C C 13 175.1689911 . . . . . . . . 110 SER C . 27107 1 84 . 1 . 1 20 20 SER CA C 13 57.41524887 . . . . . . . . 110 SER CA . 27107 1 85 . 1 . 1 20 20 SER CB C 13 64.30130005 . . . . . . . . 110 SER CB . 27107 1 86 . 1 . 1 20 20 SER N N 15 116.2143936 . . . . . . . . 110 SER N . 27107 1 87 . 1 . 1 21 21 LEU H H 1 9.194569588 . . . . . . . . 111 LEU H . 27107 1 88 . 1 . 1 21 21 LEU C C 13 178.5616913 . . . . . . . . 111 LEU C . 27107 1 89 . 1 . 1 21 21 LEU CA C 13 57.52505112 . . . . . . . . 111 LEU CA . 27107 1 90 . 1 . 1 21 21 LEU CB C 13 41.13896179 . . . . . . . . 111 LEU CB . 27107 1 91 . 1 . 1 21 21 LEU N N 15 126.824707 . . . . . . . . 111 LEU N . 27107 1 92 . 1 . 1 22 22 ILE H H 1 8.055640221 . . . . . . . . 112 ILE H . 27107 1 93 . 1 . 1 22 22 ILE C C 13 178.1021423 . . . . . . . . 112 ILE C . 27107 1 94 . 1 . 1 22 22 ILE CA C 13 63.6747818 . . . . . . . . 112 ILE CA . 27107 1 95 . 1 . 1 22 22 ILE CB C 13 36.39928055 . . . . . . . . 112 ILE CB . 27107 1 96 . 1 . 1 22 22 ILE N N 15 116.5156631 . . . . . . . . 112 ILE N . 27107 1 97 . 1 . 1 23 23 GLY H H 1 7.877460003 . . . . . . . . 113 GLY H . 27107 1 98 . 1 . 1 23 23 GLY C C 13 177.2792816 . . . . . . . . 113 GLY C . 27107 1 99 . 1 . 1 23 23 GLY CA C 13 46.2884407 . . . . . . . . 113 GLY CA . 27107 1 100 . 1 . 1 23 23 GLY N N 15 108.8592224 . . . . . . . . 113 GLY N . 27107 1 101 . 1 . 1 24 24 GLN H H 1 8.318169594 . . . . . . . . 114 GLN H . 27107 1 102 . 1 . 1 24 24 GLN C C 13 177.9815674 . . . . . . . . 114 GLN C . 27107 1 103 . 1 . 1 24 24 GLN CA C 13 57.68981171 . . . . . . . . 114 GLN CA . 27107 1 104 . 1 . 1 24 24 GLN CB C 13 28.11994934 . . . . . . . . 114 GLN CB . 27107 1 105 . 1 . 1 24 24 GLN N N 15 122.3418274 . . . . . . . . 114 GLN N . 27107 1 106 . 1 . 1 25 25 LEU H H 1 7.804880142 . . . . . . . . 115 LEU H . 27107 1 107 . 1 . 1 25 25 LEU C C 13 176.8816833 . . . . . . . . 115 LEU C . 27107 1 108 . 1 . 1 25 25 LEU CA C 13 54.98936081 . . . . . . . . 115 LEU CA . 27107 1 109 . 1 . 1 25 25 LEU CB C 13 41.64896011 . . . . . . . . 115 LEU CB . 27107 1 110 . 1 . 1 25 25 LEU N N 15 117.4813232 . . . . . . . . 115 LEU N . 27107 1 111 . 1 . 1 26 26 GLY H H 1 7.83698988 . . . . . . . . 116 GLY H . 27107 1 112 . 1 . 1 26 26 GLY C C 13 176.0315399 . . . . . . . . 116 GLY C . 27107 1 113 . 1 . 1 26 26 GLY CA C 13 45.97822189 . . . . . . . . 116 GLY CA . 27107 1 114 . 1 . 1 26 26 GLY N N 15 107.0099564 . . . . . . . . 116 GLY N . 27107 1 115 . 1 . 1 27 27 LEU H H 1 7.893789768 . . . . . . . . 117 LEU H . 27107 1 116 . 1 . 1 27 27 LEU C C 13 177.2535553 . . . . . . . . 117 LEU C . 27107 1 117 . 1 . 1 27 27 LEU CA C 13 54.64360809 . . . . . . . . 117 LEU CA . 27107 1 118 . 1 . 1 27 27 LEU CB C 13 42.26887894 . . . . . . . . 117 LEU CB . 27107 1 119 . 1 . 1 27 27 LEU N N 15 117.9013138 . . . . . . . . 117 LEU N . 27107 1 120 . 1 . 1 28 28 THR H H 1 7.794690132 . . . . . . . . 118 THR H . 27107 1 121 . 1 . 1 28 28 THR C C 13 176.2631989 . . . . . . . . 118 THR C . 27107 1 122 . 1 . 1 28 28 THR CA C 13 66.08386993 . . . . . . . . 118 THR CA . 27107 1 123 . 1 . 1 28 28 THR CB C 13 68.22994995 . . . . . . . . 118 THR CB . 27107 1 124 . 1 . 1 28 28 THR N N 15 115.5407028 . . . . . . . . 118 THR N . 27107 1 125 . 1 . 1 29 29 GLU H H 1 8.658260345 . . . . . . . . 119 GLU H . 27107 1 126 . 1 . 1 29 29 GLU C C 13 178.8199615 . . . . . . . . 119 GLU C . 27107 1 127 . 1 . 1 29 29 GLU CA C 13 58.87223816 . . . . . . . . 119 GLU CA . 27107 1 128 . 1 . 1 29 29 GLU CB C 13 28.36980057 . . . . . . . . 119 GLU CB . 27107 1 129 . 1 . 1 29 29 GLU N N 15 120.4428024 . . . . . . . . 119 GLU N . 27107 1 130 . 1 . 1 30 30 GLN H H 1 8.09444046 . . . . . . . . 120 GLN H . 27107 1 131 . 1 . 1 30 30 GLN C C 13 178.1573639 . . . . . . . . 120 GLN C . 27107 1 132 . 1 . 1 30 30 GLN CA C 13 58.72286987 . . . . . . . . 120 GLN CA . 27107 1 133 . 1 . 1 30 30 GLN CB C 13 27.13426018 . . . . . . . . 120 GLN CB . 27107 1 134 . 1 . 1 30 30 GLN N N 15 119.1599808 . . . . . . . . 120 GLN N . 27107 1 135 . 1 . 1 31 31 VAL H H 1 8.09965992 . . . . . . . . 121 VAL H . 27107 1 136 . 1 . 1 31 31 VAL C C 13 177.4781647 . . . . . . . . 121 VAL C . 27107 1 137 . 1 . 1 31 31 VAL CA C 13 66.15484619 . . . . . . . . 121 VAL CA . 27107 1 138 . 1 . 1 31 31 VAL CB C 13 30.38969994 . . . . . . . . 121 VAL CB . 27107 1 139 . 1 . 1 31 31 VAL N N 15 119.4283676 . . . . . . . . 121 VAL N . 27107 1 140 . 1 . 1 32 32 GLU H H 1 7.947770119 . . . . . . . . 122 GLU H . 27107 1 141 . 1 . 1 32 32 GLU C C 13 179.6310883 . . . . . . . . 122 GLU C . 27107 1 142 . 1 . 1 32 32 GLU CA C 13 58.95999908 . . . . . . . . 122 GLU CA . 27107 1 143 . 1 . 1 32 32 GLU CB C 13 28.15110016 . . . . . . . . 122 GLU CB . 27107 1 144 . 1 . 1 32 32 GLU N N 15 119.6738434 . . . . . . . . 122 GLU N . 27107 1 145 . 1 . 1 33 33 LYS H H 1 7.833099842 . . . . . . . . 123 LYS H . 27107 1 146 . 1 . 1 33 33 LYS C C 13 179.0879822 . . . . . . . . 123 LYS C . 27107 1 147 . 1 . 1 33 33 LYS CA C 13 58.84320831 . . . . . . . . 123 LYS CA . 27107 1 148 . 1 . 1 33 33 LYS CB C 13 31.2948494 . . . . . . . . 123 LYS CB . 27107 1 149 . 1 . 1 33 33 LYS N N 15 119.8510437 . . . . . . . . 123 LYS N . 27107 1 150 . 1 . 1 34 34 ALA H H 1 8.230420113 . . . . . . . . 124 ALA H . 27107 1 151 . 1 . 1 34 34 ALA C C 13 179.062439 . . . . . . . . 124 ALA C . 27107 1 152 . 1 . 1 34 34 ALA CA C 13 54.75794983 . . . . . . . . 124 ALA CA . 27107 1 153 . 1 . 1 34 34 ALA CB C 13 17.45863914 . . . . . . . . 124 ALA CB . 27107 1 154 . 1 . 1 34 34 ALA N N 15 122.5167236 . . . . . . . . 124 ALA N . 27107 1 155 . 1 . 1 35 35 LYS H H 1 8.327969551 . . . . . . . . 125 LYS H . 27107 1 156 . 1 . 1 35 35 LYS C C 13 179.111618 . . . . . . . . 125 LYS C . 27107 1 157 . 1 . 1 35 35 LYS CA C 13 60.02695847 . . . . . . . . 125 LYS CA . 27107 1 158 . 1 . 1 35 35 LYS CB C 13 31.58217049 . . . . . . . . 125 LYS CB . 27107 1 159 . 1 . 1 35 35 LYS N N 15 117.0874405 . . . . . . . . 125 LYS N . 27107 1 160 . 1 . 1 36 36 THR H H 1 7.944610119 . . . . . . . . 126 THR H . 27107 1 161 . 1 . 1 36 36 THR C C 13 177.0162964 . . . . . . . . 126 THR C . 27107 1 162 . 1 . 1 36 36 THR CA C 13 65.33368683 . . . . . . . . 126 THR CA . 27107 1 163 . 1 . 1 36 36 THR CB C 13 68.41713715 . . . . . . . . 126 THR CB . 27107 1 164 . 1 . 1 36 36 THR N N 15 115.0073929 . . . . . . . . 126 THR N . 27107 1 165 . 1 . 1 37 37 MET H H 1 8.093720436 . . . . . . . . 127 MET H . 27107 1 166 . 1 . 1 37 37 MET C C 13 177.6620636 . . . . . . . . 127 MET C . 27107 1 167 . 1 . 1 37 37 MET CA C 13 57.76467133 . . . . . . . . 127 MET CA . 27107 1 168 . 1 . 1 37 37 MET CB C 13 32.43778992 . . . . . . . . 127 MET CB . 27107 1 169 . 1 . 1 37 37 MET N N 15 121.9487076 . . . . . . . . 127 MET N . 27107 1 170 . 1 . 1 38 38 ALA H H 1 8.258810043 . . . . . . . . 128 ALA H . 27107 1 171 . 1 . 1 38 38 ALA C C 13 178.4326477 . . . . . . . . 128 ALA C . 27107 1 172 . 1 . 1 38 38 ALA CA C 13 54.31105042 . . . . . . . . 128 ALA CA . 27107 1 173 . 1 . 1 38 38 ALA CB C 13 18.00912094 . . . . . . . . 128 ALA CB . 27107 1 174 . 1 . 1 38 38 ALA N N 15 121.2598801 . . . . . . . . 128 ALA N . 27107 1 175 . 1 . 1 39 39 THR H H 1 8.04047966 . . . . . . . . 129 THR H . 27107 1 176 . 1 . 1 39 39 THR C C 13 176.944931 . . . . . . . . 129 THR C . 27107 1 177 . 1 . 1 39 39 THR CA C 13 66.09879303 . . . . . . . . 129 THR CA . 27107 1 178 . 1 . 1 39 39 THR CB C 13 68.15345764 . . . . . . . . 129 THR CB . 27107 1 179 . 1 . 1 39 39 THR N N 15 112.6270599 . . . . . . . . 129 THR N . 27107 1 180 . 1 . 1 40 40 GLY H H 1 8.209569931 . . . . . . . . 130 GLY H . 27107 1 181 . 1 . 1 40 40 GLY C C 13 176.304718 . . . . . . . . 130 GLY C . 27107 1 182 . 1 . 1 40 40 GLY CA C 13 46.43397903 . . . . . . . . 130 GLY CA . 27107 1 183 . 1 . 1 40 40 GLY N N 15 110.4605637 . . . . . . . . 130 GLY N . 27107 1 184 . 1 . 1 41 41 ALA H H 1 8.175680161 . . . . . . . . 131 ALA H . 27107 1 185 . 1 . 1 41 41 ALA C C 13 178.8771057 . . . . . . . . 131 ALA C . 27107 1 186 . 1 . 1 41 41 ALA CA C 13 54.07580185 . . . . . . . . 131 ALA CA . 27107 1 187 . 1 . 1 41 41 ALA CB C 13 18.00658035 . . . . . . . . 131 ALA CB . 27107 1 188 . 1 . 1 41 41 ALA N N 15 124.5500031 . . . . . . . . 131 ALA N . 27107 1 189 . 1 . 1 42 42 PHE H H 1 8.362170219 . . . . . . . . 132 PHE H . 27107 1 190 . 1 . 1 42 42 PHE C C 13 176.8199463 . . . . . . . . 132 PHE C . 27107 1 191 . 1 . 1 42 42 PHE CA C 13 60.36589813 . . . . . . . . 132 PHE CA . 27107 1 192 . 1 . 1 42 42 PHE CB C 13 38.15468979 . . . . . . . . 132 PHE CB . 27107 1 193 . 1 . 1 42 42 PHE N N 15 118.583252 . . . . . . . . 132 PHE N . 27107 1 194 . 1 . 1 43 43 GLU H H 1 8.208189964 . . . . . . . . 133 GLU H . 27107 1 195 . 1 . 1 43 43 GLU C C 13 179.1570587 . . . . . . . . 133 GLU C . 27107 1 196 . 1 . 1 43 43 GLU CA C 13 58.86613083 . . . . . . . . 133 GLU CA . 27107 1 197 . 1 . 1 43 43 GLU CB C 13 28.45677948 . . . . . . . . 133 GLU CB . 27107 1 198 . 1 . 1 43 43 GLU N N 15 117.4025192 . . . . . . . . 133 GLU N . 27107 1 199 . 1 . 1 44 44 THR H H 1 7.794690132 . . . . . . . . 134 THR H . 27107 1 200 . 1 . 1 44 44 THR C C 13 176.2631989 . . . . . . . . 134 THR C . 27107 1 201 . 1 . 1 44 44 THR CA C 13 66.08386993 . . . . . . . . 134 THR CA . 27107 1 202 . 1 . 1 44 44 THR CB C 13 68.22994995 . . . . . . . . 134 THR CB . 27107 1 203 . 1 . 1 44 44 THR N N 15 115.5407028 . . . . . . . . 134 THR N . 27107 1 204 . 1 . 1 45 45 VAL H H 1 7.877630234 . . . . . . . . 135 VAL H . 27107 1 205 . 1 . 1 45 45 VAL C C 13 177.2496948 . . . . . . . . 135 VAL C . 27107 1 206 . 1 . 1 45 45 VAL CA C 13 64.47715759 . . . . . . . . 135 VAL CA . 27107 1 207 . 1 . 1 45 45 VAL CB C 13 30.72823906 . . . . . . . . 135 VAL CB . 27107 1 208 . 1 . 1 45 45 VAL N N 15 118.6092834 . . . . . . . . 135 VAL N . 27107 1 209 . 1 . 1 46 46 LYS H H 1 7.909430027 . . . . . . . . 136 LYS H . 27107 1 210 . 1 . 1 46 46 LYS C C 13 178.0884094 . . . . . . . . 136 LYS C . 27107 1 211 . 1 . 1 46 46 LYS CA C 13 58.87355042 . . . . . . . . 136 LYS CA . 27107 1 212 . 1 . 1 46 46 LYS CB C 13 30.88419914 . . . . . . . . 136 LYS CB . 27107 1 213 . 1 . 1 46 46 LYS N N 15 119.6813126 . . . . . . . . 136 LYS N . 27107 1 214 . 1 . 1 47 47 GLY H H 1 7.698090076 . . . . . . . . 137 GLY H . 27107 1 215 . 1 . 1 47 47 GLY C C 13 174.6108856 . . . . . . . . 137 GLY C . 27107 1 216 . 1 . 1 47 47 GLY CA C 13 45.3593483 . . . . . . . . 137 GLY CA . 27107 1 217 . 1 . 1 47 47 GLY N N 15 105.074028 . . . . . . . . 137 GLY N . 27107 1 218 . 1 . 1 48 48 PHE H H 1 7.710330009 . . . . . . . . 138 PHE H . 27107 1 219 . 1 . 1 48 48 PHE C C 13 174.8826141 . . . . . . . . 138 PHE C . 27107 1 220 . 1 . 1 48 48 PHE CA C 13 57.68412018 . . . . . . . . 138 PHE CA . 27107 1 221 . 1 . 1 48 48 PHE CB C 13 38.90412903 . . . . . . . . 138 PHE CB . 27107 1 222 . 1 . 1 48 48 PHE N N 15 118.4872131 . . . . . . . . 138 PHE N . 27107 1 223 . 1 . 1 49 49 PHE H H 1 7.651219845 . . . . . . . . 139 PHE H . 27107 1 224 . 1 . 1 49 49 PHE C C 13 174.3453522 . . . . . . . . 139 PHE C . 27107 1 225 . 1 . 1 49 49 PHE CA C 13 55.19430923 . . . . . . . . 139 PHE CA . 27107 1 226 . 1 . 1 49 49 PHE CB C 13 38.88122177 . . . . . . . . 139 PHE CB . 27107 1 227 . 1 . 1 49 49 PHE N N 15 118.8599014 . . . . . . . . 139 PHE N . 27107 1 228 . 1 . 1 50 50 PRO C C 13 175.942 . . . . . . . . 140 PRO C . 27107 1 229 . 1 . 1 50 50 PRO CA C 13 62.95875168 . . . . . . . . 140 PRO CA . 27107 1 230 . 1 . 1 50 50 PRO CB C 13 29.82979012 . . . . . . . . 140 PRO CB . 27107 1 231 . 1 . 1 51 51 PHE H H 1 7.434740067 . . . . . . . . 141 PHE H . 27107 1 232 . 1 . 1 51 51 PHE C C 13 175.9975739 . . . . . . . . 141 PHE C . 27107 1 233 . 1 . 1 51 51 PHE CA C 13 56.84447098 . . . . . . . . 141 PHE CA . 27107 1 234 . 1 . 1 51 51 PHE CB C 13 38.84352112 . . . . . . . . 141 PHE CB . 27107 1 235 . 1 . 1 51 51 PHE N N 15 118.7380981 . . . . . . . . 141 PHE N . 27107 1 236 . 1 . 1 52 52 GLY H H 1 8.477069855 . . . . . . . . 142 GLY H . 27107 1 237 . 1 . 1 52 52 GLY C C 13 173.0717316 . . . . . . . . 142 GLY C . 27107 1 238 . 1 . 1 52 52 GLY CA C 13 45.17261124 . . . . . . . . 142 GLY CA . 27107 1 239 . 1 . 1 52 52 GLY N N 15 109.9694672 . . . . . . . . 142 GLY N . 27107 1 240 . 1 . 1 53 53 LYS H H 1 7.67565012 . . . . . . . . 143 LYS H . 27107 1 241 . 1 . 1 53 53 LYS C C 13 181.3622284 . . . . . . . . 143 LYS C . 27107 1 242 . 1 . 1 53 53 LYS CA C 13 57.25440979 . . . . . . . . 143 LYS CA . 27107 1 243 . 1 . 1 53 53 LYS CB C 13 32.7523613 . . . . . . . . 143 LYS CB . 27107 1 244 . 1 . 1 53 53 LYS N N 15 125.7535019 . . . . . . . . 143 LYS N . 27107 1 stop_ save_