data_25875 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25875 _Entry.Title ; Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-02 _Entry.Accession_date 2015-11-02 _Entry.Last_release_date 2016-01-29 _Entry.Original_release_date 2016-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'C-terminus of Isoform 2 of Troponin C from Lethocerus indicus' _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 Domenico Sanfelice . . . . 25875 2 Annalisa Pastore . . . . 25875 3 Miguel Adrover . . . . 25875 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "King's College London" . 25875 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25875 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 205 25875 '15N chemical shifts' 66 25875 '1H chemical shifts' 356 25875 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 3 . . 2016-10-19 2015-11-02 update BMRB 'update entry citation' 25875 2 . . 2016-07-22 2015-11-02 update BMRB 'update entry citation' 25875 1 . . 2016-01-29 2015-11-02 original author 'original release' 25875 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25878 'Holo N-terminal TnC F2 backbone assignment' 25875 BMRB 25879 'Backbone assignment of Apo C-terminal F2-TnC' 25875 BMRB 25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus' 25875 BMRB 25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus' 25875 BMRB 25897 'Holo F2 TnC' 25875 stop_ save_ ############### # Citations # ############### save_Cterm_Holo_F2_TnC _Citation.Sf_category citations _Citation.Sf_framecode Cterm_Holo_F2_TnC _Citation.Entry_ID 25875 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27226601 _Citation.Full_citation . _Citation.Title ; Towards Understanding the Molecular Bases of Stretch Activation: A Structural comparison of the Two Troponin C Isoforms of Lethocerus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 31 _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 16090 _Citation.Page_last 16099 _Citation.Year 2016 _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 Domenico Sanfelice . . . . 25875 1 2 Annalisa Pastore . . . . 25875 1 3 Belinda Bullard . . . . 25875 1 stop_ save_ save_C-term_F2_TnC _Citation.Sf_category citations _Citation.Sf_framecode C-term_F2_TnC _Citation.Entry_ID 25875 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The Two Troponin C isoforms of Lethocerus have different mechanical properties but similar structural and dynamical features ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Domenico Sanfelice . . . . 25875 2 2 Annalisa Pastore . . . . 25875 2 3 Miguel Adrover . . . . 25875 2 4 Belinda Bullard . . . . 25875 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Calcium bound' 25875 2 NMR 25875 2 'Stretch activation' 25875 2 'Troponin C' 25875 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25875 _Assembly.ID 1 _Assembly.Name 'C-terminus F2 TnC' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'C-terminus F2 TnC' 1 $Cterm_TnC_F2 A . yes native yes no . . . 25875 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cterm_TnC_F2 _Entity.Sf_category entity _Entity.Sf_framecode Cterm_TnC_F2 _Entity.Entry_ID 25875 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Cterm_TnC_F2 _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 ; GMMEELREAFRLYDKDGNGY ITTEVLREILKELDDKITPE DLDMMIQEIDSDGSGTVDFD EFMEVMIGGDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'seq starts at 88' _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment c-terminus _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 88 GLY . 25875 1 2 89 MET . 25875 1 3 90 MET . 25875 1 4 91 GLU . 25875 1 5 92 GLU . 25875 1 6 93 LEU . 25875 1 7 94 ARG . 25875 1 8 95 GLU . 25875 1 9 96 ALA . 25875 1 10 97 PHE . 25875 1 11 98 ARG . 25875 1 12 99 LEU . 25875 1 13 100 TYR . 25875 1 14 101 ASP . 25875 1 15 102 LYS . 25875 1 16 103 ASP . 25875 1 17 104 GLY . 25875 1 18 105 ASN . 25875 1 19 106 GLY . 25875 1 20 107 TYR . 25875 1 21 108 ILE . 25875 1 22 109 THR . 25875 1 23 110 THR . 25875 1 24 111 GLU . 25875 1 25 112 VAL . 25875 1 26 113 LEU . 25875 1 27 114 ARG . 25875 1 28 115 GLU . 25875 1 29 116 ILE . 25875 1 30 117 LEU . 25875 1 31 118 LYS . 25875 1 32 119 GLU . 25875 1 33 120 LEU . 25875 1 34 121 ASP . 25875 1 35 122 ASP . 25875 1 36 123 LYS . 25875 1 37 124 ILE . 25875 1 38 125 THR . 25875 1 39 126 PRO . 25875 1 40 127 GLU . 25875 1 41 128 ASP . 25875 1 42 129 LEU . 25875 1 43 130 ASP . 25875 1 44 131 MET . 25875 1 45 132 MET . 25875 1 46 133 ILE . 25875 1 47 134 GLN . 25875 1 48 135 GLU . 25875 1 49 136 ILE . 25875 1 50 137 ASP . 25875 1 51 138 SER . 25875 1 52 139 ASP . 25875 1 53 140 GLY . 25875 1 54 141 SER . 25875 1 55 142 GLY . 25875 1 56 143 THR . 25875 1 57 144 VAL . 25875 1 58 145 ASP . 25875 1 59 146 PHE . 25875 1 60 147 ASP . 25875 1 61 148 GLU . 25875 1 62 149 PHE . 25875 1 63 150 MET . 25875 1 64 151 GLU . 25875 1 65 152 VAL . 25875 1 66 153 MET . 25875 1 67 154 ILE . 25875 1 68 155 GLY . 25875 1 69 156 GLY . 25875 1 70 157 ASP . 25875 1 71 158 GLU . 25875 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 25875 1 . MET 2 2 25875 1 . MET 3 3 25875 1 . GLU 4 4 25875 1 . GLU 5 5 25875 1 . LEU 6 6 25875 1 . ARG 7 7 25875 1 . GLU 8 8 25875 1 . ALA 9 9 25875 1 . PHE 10 10 25875 1 . ARG 11 11 25875 1 . LEU 12 12 25875 1 . TYR 13 13 25875 1 . ASP 14 14 25875 1 . LYS 15 15 25875 1 . ASP 16 16 25875 1 . GLY 17 17 25875 1 . ASN 18 18 25875 1 . GLY 19 19 25875 1 . TYR 20 20 25875 1 . ILE 21 21 25875 1 . THR 22 22 25875 1 . THR 23 23 25875 1 . GLU 24 24 25875 1 . VAL 25 25 25875 1 . LEU 26 26 25875 1 . ARG 27 27 25875 1 . GLU 28 28 25875 1 . ILE 29 29 25875 1 . LEU 30 30 25875 1 . LYS 31 31 25875 1 . GLU 32 32 25875 1 . LEU 33 33 25875 1 . ASP 34 34 25875 1 . ASP 35 35 25875 1 . LYS 36 36 25875 1 . ILE 37 37 25875 1 . THR 38 38 25875 1 . PRO 39 39 25875 1 . GLU 40 40 25875 1 . ASP 41 41 25875 1 . LEU 42 42 25875 1 . ASP 43 43 25875 1 . MET 44 44 25875 1 . MET 45 45 25875 1 . ILE 46 46 25875 1 . GLN 47 47 25875 1 . GLU 48 48 25875 1 . ILE 49 49 25875 1 . ASP 50 50 25875 1 . SER 51 51 25875 1 . ASP 52 52 25875 1 . GLY 53 53 25875 1 . SER 54 54 25875 1 . GLY 55 55 25875 1 . THR 56 56 25875 1 . VAL 57 57 25875 1 . ASP 58 58 25875 1 . PHE 59 59 25875 1 . ASP 60 60 25875 1 . GLU 61 61 25875 1 . PHE 62 62 25875 1 . MET 63 63 25875 1 . GLU 64 64 25875 1 . VAL 65 65 25875 1 . MET 66 66 25875 1 . ILE 67 67 25875 1 . GLY 68 68 25875 1 . GLY 69 69 25875 1 . ASP 70 70 25875 1 . GLU 71 71 25875 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 25875 _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 $Cterm_TnC_F2 . 212017 organism . 'Lethocerus Indicus' 'Lethocerus Indicus' . . Eukaryota Metazoa Lethocerus Indicus . . . . . . . . . . . . . 25875 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 25875 _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 $Cterm_TnC_F2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pet11a . . . 25875 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25875 _Sample.ID 1 _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 'Cterm TnC F2' '[U-98% 13C; U-98% 15N]' . . 1 $Cterm_TnC_F2 . protein . 0.5 1.0 mM . . . . 25875 1 2 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25875 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25875 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 25875 _Sample_condition_list.ID 1 _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 'ionic strength' 0.1 . M 25875 1 pH 6.8 . pH 25875 1 pressure 1 . atm 25875 1 temperature 298.2 . K 25875 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25875 _Software.ID 1 _Software.Name XEASY _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25875 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25875 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 25875 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25875 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25875 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 25875 _NMR_spectrometer_list.ID 1 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 . 600 . . . 25875 1 2 spectrometer_2 Bruker Avance . 700 . . . 25875 1 3 spectrometer_3 Bruker Avance . 800 . . . 25875 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 25875 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25875 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 25875 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 methanol 'methyl carbon' . . . . ppm 54 internal direct 1 . . . . . 25875 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 25875 1 N 15 '[15N] ammonium sulfate' nitrogen . . . . ppm 124 internal direct 1 . . . . . 25875 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 25875 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' 1 $sample_1 isotropic 25875 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25875 1 4 '3D HNCO' 1 $sample_1 isotropic 25875 1 5 '3D HNCACB' 1 $sample_1 isotropic 25875 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 25875 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 1 1 GLY C C 13 170.896 0.000 . . . . . . 88 GLY C . 25875 1 2 . 1 1 1 1 GLY CA C 13 43.447 0.000 . . . . . . 88 GLY CA . 25875 1 3 . 1 1 2 2 MET H H 1 9.003 0.000 . . . . . . 89 MET HN . 25875 1 4 . 1 1 2 2 MET C C 13 177.833 0.000 . . . . . . 89 MET C . 25875 1 5 . 1 1 2 2 MET CA C 13 58.679 0.000 . . . . . . 89 MET CA . 25875 1 6 . 1 1 2 2 MET CB C 13 32.637 0.000 . . . . . . 89 MET CB . 25875 1 7 . 1 1 2 2 MET N N 15 122.000 0.000 . . . . . . 89 MET N . 25875 1 8 . 1 1 3 3 MET H H 1 8.909 0.000 . . . . . . 90 MET HN . 25875 1 9 . 1 1 3 3 MET HA H 1 4.204 0.000 . . . . . . 90 MET HA . 25875 1 10 . 1 1 3 3 MET HB2 H 1 2.148 0.000 . . . . . . 90 MET HB2 . 25875 1 11 . 1 1 3 3 MET HB3 H 1 2.033 0.000 . . . . . . 90 MET HB3 . 25875 1 12 . 1 1 3 3 MET HG2 H 1 2.638 0.000 . . . . . . 90 MET QG . 25875 1 13 . 1 1 3 3 MET HG3 H 1 2.638 0.000 . . . . . . 90 MET QG . 25875 1 14 . 1 1 3 3 MET C C 13 178.119 0.000 . . . . . . 90 MET C . 25875 1 15 . 1 1 3 3 MET CA C 13 58.910 0.000 . . . . . . 90 MET CA . 25875 1 16 . 1 1 3 3 MET CB C 13 31.357 0.000 . . . . . . 90 MET CB . 25875 1 17 . 1 1 3 3 MET N N 15 117.929 0.000 . . . . . . 90 MET N . 25875 1 18 . 1 1 4 4 GLU H H 1 8.272 0.000 . . . . . . 91 GLU HN . 25875 1 19 . 1 1 4 4 GLU HA H 1 3.959 0.000 . . . . . . 91 GLU HA . 25875 1 20 . 1 1 4 4 GLU HB2 H 1 2.074 0.000 . . . . . . 91 GLU HB2 . 25875 1 21 . 1 1 4 4 GLU HB3 H 1 1.988 0.000 . . . . . . 91 GLU HB3 . 25875 1 22 . 1 1 4 4 GLU HG2 H 1 2.562 0.000 . . . . . . 91 GLU HG2 . 25875 1 23 . 1 1 4 4 GLU HG3 H 1 2.230 0.000 . . . . . . 91 GLU HG3 . 25875 1 24 . 1 1 4 4 GLU C C 13 179.620 0.000 . . . . . . 91 GLU C . 25875 1 25 . 1 1 4 4 GLU CA C 13 61.031 0.000 . . . . . . 91 GLU CA . 25875 1 26 . 1 1 4 4 GLU CB C 13 28.400 0.000 . . . . . . 91 GLU CB . 25875 1 27 . 1 1 4 4 GLU N N 15 118.595 0.000 . . . . . . 91 GLU N . 25875 1 28 . 1 1 5 5 GLU H H 1 8.097 0.000 . . . . . . 92 GLU HN . 25875 1 29 . 1 1 5 5 GLU HA H 1 4.126 0.000 . . . . . . 92 GLU HA . 25875 1 30 . 1 1 5 5 GLU HB2 H 1 2.194 0.000 . . . . . . 92 GLU HB2 . 25875 1 31 . 1 1 5 5 GLU HB3 H 1 2.029 0.000 . . . . . . 92 GLU HB3 . 25875 1 32 . 1 1 5 5 GLU HG2 H 1 2.441 0.000 . . . . . . 92 GLU HG2 . 25875 1 33 . 1 1 5 5 GLU HG3 H 1 2.340 0.000 . . . . . . 92 GLU HG3 . 25875 1 34 . 1 1 5 5 GLU C C 13 180.246 0.000 . . . . . . 92 GLU C . 25875 1 35 . 1 1 5 5 GLU CA C 13 59.408 0.000 . . . . . . 92 GLU CA . 25875 1 36 . 1 1 5 5 GLU CB C 13 29.199 0.000 . . . . . . 92 GLU CB . 25875 1 37 . 1 1 5 5 GLU N N 15 119.892 0.000 . . . . . . 92 GLU N . 25875 1 38 . 1 1 6 6 LEU H H 1 8.585 0.000 . . . . . . 93 LEU HN . 25875 1 39 . 1 1 6 6 LEU HA H 1 4.333 0.000 . . . . . . 93 LEU HA . 25875 1 40 . 1 1 6 6 LEU HB2 H 1 1.685 0.000 . . . . . . 93 LEU QB . 25875 1 41 . 1 1 6 6 LEU HB3 H 1 1.685 0.000 . . . . . . 93 LEU QB . 25875 1 42 . 1 1 6 6 LEU HD11 H 1 0.796 0.000 . . . . . . 93 LEU QQD . 25875 1 43 . 1 1 6 6 LEU HD12 H 1 0.796 0.000 . . . . . . 93 LEU QQD . 25875 1 44 . 1 1 6 6 LEU HD13 H 1 0.796 0.000 . . . . . . 93 LEU QQD . 25875 1 45 . 1 1 6 6 LEU HD21 H 1 0.796 0.000 . . . . . . 93 LEU QQD . 25875 1 46 . 1 1 6 6 LEU HD22 H 1 0.796 0.000 . . . . . . 93 LEU QQD . 25875 1 47 . 1 1 6 6 LEU HD23 H 1 0.796 0.000 . . . . . . 93 LEU QQD . 25875 1 48 . 1 1 6 6 LEU HG H 1 2.154 0.000 . . . . . . 93 LEU HG . 25875 1 49 . 1 1 6 6 LEU C C 13 178.941 0.000 . . . . . . 93 LEU C . 25875 1 50 . 1 1 6 6 LEU CA C 13 58.209 0.000 . . . . . . 93 LEU CA . 25875 1 51 . 1 1 6 6 LEU CB C 13 41.826 0.000 . . . . . . 93 LEU CB . 25875 1 52 . 1 1 6 6 LEU N N 15 121.578 0.000 . . . . . . 93 LEU N . 25875 1 53 . 1 1 7 7 ARG H H 1 8.428 0.000 . . . . . . 94 ARG HN . 25875 1 54 . 1 1 7 7 ARG HA H 1 3.934 0.000 . . . . . . 94 ARG HA . 25875 1 55 . 1 1 7 7 ARG HB2 H 1 2.137 0.000 . . . . . . 94 ARG HB2 . 25875 1 56 . 1 1 7 7 ARG HB3 H 1 1.870 0.000 . . . . . . 94 ARG HB3 . 25875 1 57 . 1 1 7 7 ARG HD2 H 1 2.954 0.000 . . . . . . 94 ARG QD . 25875 1 58 . 1 1 7 7 ARG HD3 H 1 2.954 0.000 . . . . . . 94 ARG QD . 25875 1 59 . 1 1 7 7 ARG HG2 H 1 1.486 0.000 . . . . . . 94 ARG HG2 . 25875 1 60 . 1 1 7 7 ARG HG3 H 1 1.356 0.000 . . . . . . 94 ARG HG3 . 25875 1 61 . 1 1 7 7 ARG C C 13 178.941 0.000 . . . . . . 94 ARG C . 25875 1 62 . 1 1 7 7 ARG CA C 13 60.127 0.000 . . . . . . 94 ARG CA . 25875 1 63 . 1 1 7 7 ARG CB C 13 29.918 0.000 . . . . . . 94 ARG CB . 25875 1 64 . 1 1 7 7 ARG N N 15 120.199 0.000 . . . . . . 94 ARG N . 25875 1 65 . 1 1 8 8 GLU H H 1 7.912 0.000 . . . . . . 95 GLU HN . 25875 1 66 . 1 1 8 8 GLU HA H 1 4.125 0.000 . . . . . . 95 GLU HA . 25875 1 67 . 1 1 8 8 GLU HB2 H 1 2.081 0.000 . . . . . . 95 GLU HB2 . 25875 1 68 . 1 1 8 8 GLU HB3 H 1 1.864 0.000 . . . . . . 95 GLU HB3 . 25875 1 69 . 1 1 8 8 GLU HG2 H 1 2.358 0.000 . . . . . . 95 GLU HG2 . 25875 1 70 . 1 1 8 8 GLU C C 13 178.476 0.000 . . . . . . 95 GLU C . 25875 1 71 . 1 1 8 8 GLU CA C 13 58.849 0.000 . . . . . . 95 GLU CA . 25875 1 72 . 1 1 8 8 GLU CB C 13 29.199 0.000 . . . . . . 95 GLU CB . 25875 1 73 . 1 1 8 8 GLU N N 15 118.688 0.000 . . . . . . 95 GLU N . 25875 1 74 . 1 1 9 9 ALA H H 1 7.977 0.000 . . . . . . 96 ALA HN . 25875 1 75 . 1 1 9 9 ALA HA H 1 4.125 0.000 . . . . . . 96 ALA HA . 25875 1 76 . 1 1 9 9 ALA HB1 H 1 1.685 0.000 . . . . . . 96 ALA QB . 25875 1 77 . 1 1 9 9 ALA HB2 H 1 1.685 0.000 . . . . . . 96 ALA QB . 25875 1 78 . 1 1 9 9 ALA HB3 H 1 1.685 0.000 . . . . . . 96 ALA QB . 25875 1 79 . 1 1 9 9 ALA C C 13 179.030 0.000 . . . . . . 96 ALA C . 25875 1 80 . 1 1 9 9 ALA CA C 13 55.252 0.000 . . . . . . 96 ALA CA . 25875 1 81 . 1 1 9 9 ALA CB C 13 18.010 0.000 . . . . . . 96 ALA CB . 25875 1 82 . 1 1 9 9 ALA N N 15 122.021 0.000 . . . . . . 96 ALA N . 25875 1 83 . 1 1 10 10 PHE H H 1 8.432 0.000 . . . . . . 97 PHE HN . 25875 1 84 . 1 1 10 10 PHE HA H 1 3.619 0.000 . . . . . . 97 PHE HA . 25875 1 85 . 1 1 10 10 PHE HB2 H 1 3.163 0.000 . . . . . . 97 PHE HB2 . 25875 1 86 . 1 1 10 10 PHE HB3 H 1 2.962 0.000 . . . . . . 97 PHE HB3 . 25875 1 87 . 1 1 10 10 PHE C C 13 177.082 0.000 . . . . . . 97 PHE C . 25875 1 88 . 1 1 10 10 PHE CA C 13 62.365 0.000 . . . . . . 97 PHE CA . 25875 1 89 . 1 1 10 10 PHE CB C 13 39.828 0.000 . . . . . . 97 PHE CB . 25875 1 90 . 1 1 10 10 PHE N N 15 117.427 0.000 . . . . . . 97 PHE N . 25875 1 91 . 1 1 11 11 ARG H H 1 7.973 0.000 . . . . . . 98 ARG HN . 25875 1 92 . 1 1 11 11 ARG HA H 1 3.946 0.000 . . . . . . 98 ARG HA . 25875 1 93 . 1 1 11 11 ARG HB2 H 1 1.920 0.000 . . . . . . 98 ARG HB2 . 25875 1 94 . 1 1 11 11 ARG HB3 H 1 1.835 0.000 . . . . . . 98 ARG HB3 . 25875 1 95 . 1 1 11 11 ARG HG2 H 1 1.672 0.000 . . . . . . 98 ARG QG . 25875 1 96 . 1 1 11 11 ARG HG3 H 1 1.672 0.000 . . . . . . 98 ARG QG . 25875 1 97 . 1 1 11 11 ARG C C 13 178.565 0.000 . . . . . . 98 ARG C . 25875 1 98 . 1 1 11 11 ARG CA C 13 59.089 0.000 . . . . . . 98 ARG CA . 25875 1 99 . 1 1 11 11 ARG CB C 13 30.238 0.000 . . . . . . 98 ARG CB . 25875 1 100 . 1 1 11 11 ARG N N 15 116.107 0.000 . . . . . . 98 ARG N . 25875 1 101 . 1 1 12 12 LEU H H 1 7.679 0.000 . . . . . . 99 LEU HN . 25875 1 102 . 1 1 12 12 LEU HA H 1 3.916 0.000 . . . . . . 99 LEU HA . 25875 1 103 . 1 1 12 12 LEU HB2 H 1 1.626 0.000 . . . . . . 99 LEU HB2 . 25875 1 104 . 1 1 12 12 LEU HB3 H 1 1.411 0.000 . . . . . . 99 LEU HB3 . 25875 1 105 . 1 1 12 12 LEU C C 13 178.816 0.000 . . . . . . 99 LEU C . 25875 1 106 . 1 1 12 12 LEU CA C 13 57.170 0.000 . . . . . . 99 LEU CA . 25875 1 107 . 1 1 12 12 LEU CB C 13 41.746 0.000 . . . . . . 99 LEU CB . 25875 1 108 . 1 1 12 12 LEU N N 15 118.560 0.000 . . . . . . 99 LEU N . 25875 1 109 . 1 1 13 13 TYR H H 1 7.486 0.000 . . . . . . 100 TYR HN . 25875 1 110 . 1 1 13 13 TYR HA H 1 4.303 0.000 . . . . . . 100 TYR HA . 25875 1 111 . 1 1 13 13 TYR HB2 H 1 2.901 0.000 . . . . . . 100 TYR HB2 . 25875 1 112 . 1 1 13 13 TYR HB3 H 1 2.451 0.000 . . . . . . 100 TYR HB3 . 25875 1 113 . 1 1 13 13 TYR C C 13 176.635 0.000 . . . . . . 100 TYR C . 25875 1 114 . 1 1 13 13 TYR CA C 13 59.808 0.000 . . . . . . 100 TYR CA . 25875 1 115 . 1 1 13 13 TYR CB C 13 38.789 0.000 . . . . . . 100 TYR CB . 25875 1 116 . 1 1 13 13 TYR N N 15 115.581 0.000 . . . . . . 100 TYR N . 25875 1 117 . 1 1 14 14 ASP H H 1 7.912 0.000 . . . . . . 101 ASP HN . 25875 1 118 . 1 1 14 14 ASP HA H 1 4.809 0.000 . . . . . . 101 ASP HA . 25875 1 119 . 1 1 14 14 ASP HB2 H 1 2.607 0.000 . . . . . . 101 ASP HB2 . 25875 1 120 . 1 1 14 14 ASP HB3 H 1 2.458 0.000 . . . . . . 101 ASP HB3 . 25875 1 121 . 1 1 14 14 ASP C C 13 177.368 0.000 . . . . . . 101 ASP C . 25875 1 122 . 1 1 14 14 ASP CA C 13 52.535 0.000 . . . . . . 101 ASP CA . 25875 1 123 . 1 1 14 14 ASP CB C 13 39.029 0.000 . . . . . . 101 ASP CB . 25875 1 124 . 1 1 14 14 ASP N N 15 121.998 0.000 . . . . . . 101 ASP N . 25875 1 125 . 1 1 15 15 LYS H H 1 7.715 0.000 . . . . . . 102 LYS HN . 25875 1 126 . 1 1 15 15 LYS HA H 1 3.961 0.000 . . . . . . 102 LYS HA . 25875 1 127 . 1 1 15 15 LYS HB2 H 1 1.830 0.000 . . . . . . 102 LYS HB2 . 25875 1 128 . 1 1 15 15 LYS HB3 H 1 1.693 0.000 . . . . . . 102 LYS HB3 . 25875 1 129 . 1 1 15 15 LYS HD2 H 1 1.017 0.000 . . . . . . 102 LYS HD2 . 25875 1 130 . 1 1 15 15 LYS HG2 H 1 1.478 0.000 . . . . . . 102 LYS QG . 25875 1 131 . 1 1 15 15 LYS HG3 H 1 1.478 0.000 . . . . . . 102 LYS QG . 25875 1 132 . 1 1 15 15 LYS C C 13 177.904 0.000 . . . . . . 102 LYS C . 25875 1 133 . 1 1 15 15 LYS CA C 13 59.168 0.000 . . . . . . 102 LYS CA . 25875 1 134 . 1 1 15 15 LYS CB C 13 32.316 0.000 . . . . . . 102 LYS CB . 25875 1 135 . 1 1 15 15 LYS N N 15 122.325 0.000 . . . . . . 102 LYS N . 25875 1 136 . 1 1 16 16 ASP H H 1 8.296 0.000 . . . . . . 103 ASP HN . 25875 1 137 . 1 1 16 16 ASP C C 13 176.921 0.000 . . . . . . 103 ASP C . 25875 1 138 . 1 1 16 16 ASP CA C 13 53.654 0.000 . . . . . . 103 ASP CA . 25875 1 139 . 1 1 16 16 ASP CB C 13 40.176 0.000 . . . . . . 103 ASP CB . 25875 1 140 . 1 1 16 16 ASP N N 15 114.280 0.000 . . . . . . 103 ASP N . 25875 1 141 . 1 1 17 17 GLY H H 1 7.685 0.000 . . . . . . 104 GLY HN . 25875 1 142 . 1 1 17 17 GLY HA2 H 1 3.876 0.000 . . . . . . 104 GLY HA2 . 25875 1 143 . 1 1 17 17 GLY HA3 H 1 3.787 0.000 . . . . . . 104 GLY HA3 . 25875 1 144 . 1 1 17 17 GLY C C 13 175.283 0.000 . . . . . . 104 GLY C . 25875 1 145 . 1 1 17 17 GLY CA C 13 47.022 0.000 . . . . . . 104 GLY CA . 25875 1 146 . 1 1 17 17 GLY N N 15 108.737 0.000 . . . . . . 104 GLY N . 25875 1 147 . 1 1 18 18 ASN C C 13 176.313 0.000 . . . . . . 105 ASN C . 25875 1 148 . 1 1 18 18 ASN CA C 13 53.254 0.000 . . . . . . 105 ASN CA . 25875 1 149 . 1 1 18 18 ASN CB C 13 38.469 0.000 . . . . . . 105 ASN CB . 25875 1 150 . 1 1 19 19 GLY H H 1 10.518 0.000 . . . . . . 106 GLY HN . 25875 1 151 . 1 1 19 19 GLY HA2 H 1 4.259 0.000 . . . . . . 106 GLY HA2 . 25875 1 152 . 1 1 19 19 GLY HA3 H 1 3.604 0.000 . . . . . . 106 GLY HA3 . 25875 1 153 . 1 1 19 19 GLY C C 13 173.327 0.000 . . . . . . 106 GLY C . 25875 1 154 . 1 1 19 19 GLY CA C 13 45.342 0.000 . . . . . . 106 GLY CA . 25875 1 155 . 1 1 19 19 GLY N N 15 112.018 0.000 . . . . . . 106 GLY N . 25875 1 156 . 1 1 20 20 TYR H H 1 7.393 0.000 . . . . . . 107 TYR HN . 25875 1 157 . 1 1 20 20 TYR HA H 1 5.566 0.000 . . . . . . 107 TYR HA . 25875 1 158 . 1 1 20 20 TYR HB2 H 1 2.962 0.000 . . . . . . 107 TYR HB2 . 25875 1 159 . 1 1 20 20 TYR HB3 H 1 2.711 0.000 . . . . . . 107 TYR HB3 . 25875 1 160 . 1 1 20 20 TYR CA C 13 56.531 0.000 . . . . . . 107 TYR CA . 25875 1 161 . 1 1 20 20 TYR CB C 13 41.586 0.000 . . . . . . 107 TYR CB . 25875 1 162 . 1 1 20 20 TYR N N 15 114.369 0.000 . . . . . . 107 TYR N . 25875 1 163 . 1 1 21 21 ILE C C 13 175.902 0.000 . . . . . . 108 ILE C . 25875 1 164 . 1 1 21 21 ILE CA C 13 59.089 0.000 . . . . . . 108 ILE CA . 25875 1 165 . 1 1 21 21 ILE CB C 13 41.267 0.000 . . . . . . 108 ILE CB . 25875 1 166 . 1 1 22 22 THR H H 1 8.245 0.000 . . . . . . 109 THR HN . 25875 1 167 . 1 1 22 22 THR HA H 1 4.987 0.000 . . . . . . 109 THR HA . 25875 1 168 . 1 1 22 22 THR HB H 1 4.750 0.000 . . . . . . 109 THR HB . 25875 1 169 . 1 1 22 22 THR C C 13 176.152 0.000 . . . . . . 109 THR C . 25875 1 170 . 1 1 22 22 THR CA C 13 61.806 0.000 . . . . . . 109 THR CA . 25875 1 171 . 1 1 22 22 THR CB C 13 70.597 0.000 . . . . . . 109 THR CB . 25875 1 172 . 1 1 22 22 THR N N 15 112.869 0.000 . . . . . . 109 THR N . 25875 1 173 . 1 1 23 23 THR H H 1 8.102 0.000 . . . . . . 110 THR HN . 25875 1 174 . 1 1 23 23 THR HA H 1 3.844 0.000 . . . . . . 110 THR HA . 25875 1 175 . 1 1 23 23 THR C C 13 177.028 0.000 . . . . . . 110 THR C . 25875 1 176 . 1 1 23 23 THR CA C 13 65.402 0.000 . . . . . . 110 THR CA . 25875 1 177 . 1 1 23 23 THR CB C 13 67.480 0.000 . . . . . . 110 THR CB . 25875 1 178 . 1 1 23 23 THR N N 15 110.707 0.000 . . . . . . 110 THR N . 25875 1 179 . 1 1 24 24 GLU H H 1 8.279 0.000 . . . . . . 111 GLU HN . 25875 1 180 . 1 1 24 24 GLU C C 13 179.048 0.000 . . . . . . 111 GLU C . 25875 1 181 . 1 1 24 24 GLU CA C 13 60.527 0.000 . . . . . . 111 GLU CA . 25875 1 182 . 1 1 24 24 GLU CB C 13 29.119 0.000 . . . . . . 111 GLU CB . 25875 1 183 . 1 1 24 24 GLU N N 15 121.649 0.029 . . . . . . 111 GLU N . 25875 1 184 . 1 1 25 25 VAL H H 1 7.435 0.000 . . . . . . 112 VAL HN . 25875 1 185 . 1 1 25 25 VAL HA H 1 3.755 0.000 . . . . . . 112 VAL HA . 25875 1 186 . 1 1 25 25 VAL HB H 1 2.087 0.000 . . . . . . 112 VAL HB . 25875 1 187 . 1 1 25 25 VAL HG11 H 1 1.101 0.000 . . . . . . 112 VAL QG1 . 25875 1 188 . 1 1 25 25 VAL HG12 H 1 1.101 0.000 . . . . . . 112 VAL QG1 . 25875 1 189 . 1 1 25 25 VAL HG13 H 1 1.101 0.000 . . . . . . 112 VAL QG1 . 25875 1 190 . 1 1 25 25 VAL HG21 H 1 0.882 0.000 . . . . . . 112 VAL QG2 . 25875 1 191 . 1 1 25 25 VAL HG22 H 1 0.882 0.000 . . . . . . 112 VAL QG2 . 25875 1 192 . 1 1 25 25 VAL HG23 H 1 0.882 0.000 . . . . . . 112 VAL QG2 . 25875 1 193 . 1 1 25 25 VAL C C 13 178.083 0.000 . . . . . . 112 VAL C . 25875 1 194 . 1 1 25 25 VAL CA C 13 66.041 0.000 . . . . . . 112 VAL CA . 25875 1 195 . 1 1 25 25 VAL CB C 13 31.437 0.000 . . . . . . 112 VAL CB . 25875 1 196 . 1 1 25 25 VAL N N 15 121.251 0.000 . . . . . . 112 VAL N . 25875 1 197 . 1 1 26 26 LEU H H 1 7.966 0.000 . . . . . . 113 LEU HN . 25875 1 198 . 1 1 26 26 LEU HA H 1 3.859 0.000 . . . . . . 113 LEU HA . 25875 1 199 . 1 1 26 26 LEU C C 13 177.475 0.000 . . . . . . 113 LEU C . 25875 1 200 . 1 1 26 26 LEU CA C 13 57.730 0.000 . . . . . . 113 LEU CA . 25875 1 201 . 1 1 26 26 LEU CB C 13 41.187 0.000 . . . . . . 113 LEU CB . 25875 1 202 . 1 1 26 26 LEU N N 15 120.374 0.000 . . . . . . 113 LEU N . 25875 1 203 . 1 1 27 27 ARG C C 13 177.314 0.000 . . . . . . 114 ARG C . 25875 1 204 . 1 1 27 27 ARG CA C 13 60.447 0.000 . . . . . . 114 ARG CA . 25875 1 205 . 1 1 27 27 ARG CB C 13 30.637 0.000 . . . . . . 114 ARG CB . 25875 1 206 . 1 1 28 28 GLU H H 1 7.108 0.000 . . . . . . 115 GLU HN . 25875 1 207 . 1 1 28 28 GLU HA H 1 3.948 0.000 . . . . . . 115 GLU HA . 25875 1 208 . 1 1 28 28 GLU HB2 H 1 2.212 0.000 . . . . . . 115 GLU HB2 . 25875 1 209 . 1 1 28 28 GLU HB3 H 1 1.868 0.000 . . . . . . 115 GLU HB3 . 25875 1 210 . 1 1 28 28 GLU HG2 H 1 2.462 0.000 . . . . . . 115 GLU QG . 25875 1 211 . 1 1 28 28 GLU HG3 H 1 2.462 0.000 . . . . . . 115 GLU QG . 25875 1 212 . 1 1 28 28 GLU C C 13 179.281 0.000 . . . . . . 115 GLU C . 25875 1 213 . 1 1 28 28 GLU CA C 13 59.009 0.000 . . . . . . 115 GLU CA . 25875 1 214 . 1 1 28 28 GLU CB C 13 29.119 0.000 . . . . . . 115 GLU CB . 25875 1 215 . 1 1 28 28 GLU N N 15 116.189 0.000 . . . . . . 115 GLU N . 25875 1 216 . 1 1 29 29 ILE H H 1 7.799 0.000 . . . . . . 116 ILE HN . 25875 1 217 . 1 1 29 29 ILE HA H 1 3.443 0.000 . . . . . . 116 ILE HA . 25875 1 218 . 1 1 29 29 ILE HB H 1 1.780 0.000 . . . . . . 116 ILE HB . 25875 1 219 . 1 1 29 29 ILE HG12 H 1 1.305 0.000 . . . . . . 116 ILE QG1 . 25875 1 220 . 1 1 29 29 ILE HG13 H 1 1.305 0.000 . . . . . . 116 ILE QG1 . 25875 1 221 . 1 1 29 29 ILE HG21 H 1 0.771 0.000 . . . . . . 116 ILE QG2 . 25875 1 222 . 1 1 29 29 ILE HG22 H 1 0.771 0.000 . . . . . . 116 ILE QG2 . 25875 1 223 . 1 1 29 29 ILE HG23 H 1 0.771 0.000 . . . . . . 116 ILE QG2 . 25875 1 224 . 1 1 29 29 ILE C C 13 178.458 0.000 . . . . . . 116 ILE C . 25875 1 225 . 1 1 29 29 ILE CA C 13 65.482 0.000 . . . . . . 116 ILE CA . 25875 1 226 . 1 1 29 29 ILE CB C 13 38.310 0.000 . . . . . . 116 ILE CB . 25875 1 227 . 1 1 29 29 ILE N N 15 120.550 0.000 . . . . . . 116 ILE N . 25875 1 228 . 1 1 30 30 LEU H H 1 8.323 0.000 . . . . . . 117 LEU HN . 25875 1 229 . 1 1 30 30 LEU HA H 1 3.936 0.000 . . . . . . 117 LEU HA . 25875 1 230 . 1 1 30 30 LEU HB2 H 1 1.899 0.000 . . . . . . 117 LEU QB . 25875 1 231 . 1 1 30 30 LEU HB3 H 1 1.899 0.000 . . . . . . 117 LEU QB . 25875 1 232 . 1 1 30 30 LEU HD11 H 1 0.882 0.000 . . . . . . 117 LEU QQD . 25875 1 233 . 1 1 30 30 LEU HD12 H 1 0.882 0.000 . . . . . . 117 LEU QQD . 25875 1 234 . 1 1 30 30 LEU HD13 H 1 0.882 0.000 . . . . . . 117 LEU QQD . 25875 1 235 . 1 1 30 30 LEU HD21 H 1 0.882 0.000 . . . . . . 117 LEU QQD . 25875 1 236 . 1 1 30 30 LEU HD22 H 1 0.882 0.000 . . . . . . 117 LEU QQD . 25875 1 237 . 1 1 30 30 LEU HD23 H 1 0.882 0.000 . . . . . . 117 LEU QQD . 25875 1 238 . 1 1 30 30 LEU C C 13 179.066 0.000 . . . . . . 117 LEU C . 25875 1 239 . 1 1 30 30 LEU CA C 13 58.369 0.000 . . . . . . 117 LEU CA . 25875 1 240 . 1 1 30 30 LEU CB C 13 41.347 0.000 . . . . . . 117 LEU CB . 25875 1 241 . 1 1 30 30 LEU N N 15 118.303 0.000 . . . . . . 117 LEU N . 25875 1 242 . 1 1 31 31 LYS H H 1 7.701 0.000 . . . . . . 118 LYS HN . 25875 1 243 . 1 1 31 31 LYS HA H 1 4.070 0.000 . . . . . . 118 LYS HA . 25875 1 244 . 1 1 31 31 LYS HB2 H 1 1.836 0.000 . . . . . . 118 LYS HB2 . 25875 1 245 . 1 1 31 31 LYS HB3 H 1 1.695 0.000 . . . . . . 118 LYS HB3 . 25875 1 246 . 1 1 31 31 LYS HG2 H 1 1.461 0.000 . . . . . . 118 LYS HG2 . 25875 1 247 . 1 1 31 31 LYS HG3 H 1 1.276 0.000 . . . . . . 118 LYS HG3 . 25875 1 248 . 1 1 31 31 LYS C C 13 178.208 0.000 . . . . . . 118 LYS C . 25875 1 249 . 1 1 31 31 LYS CA C 13 58.449 0.000 . . . . . . 118 LYS CA . 25875 1 250 . 1 1 31 31 LYS CB C 13 32.476 0.000 . . . . . . 118 LYS CB . 25875 1 251 . 1 1 31 31 LYS N N 15 117.228 0.000 . . . . . . 118 LYS N . 25875 1 252 . 1 1 32 32 GLU H H 1 7.526 0.000 . . . . . . 119 GLU HN . 25875 1 253 . 1 1 32 32 GLU HA H 1 4.085 0.000 . . . . . . 119 GLU HA . 25875 1 254 . 1 1 32 32 GLU HB2 H 1 2.279 0.000 . . . . . . 119 GLU HB2 . 25875 1 255 . 1 1 32 32 GLU HB3 H 1 2.175 0.000 . . . . . . 119 GLU HB3 . 25875 1 256 . 1 1 32 32 GLU C C 13 178.673 0.000 . . . . . . 119 GLU C . 25875 1 257 . 1 1 32 32 GLU CA C 13 58.369 0.000 . . . . . . 119 GLU CA . 25875 1 258 . 1 1 32 32 GLU CB C 13 29.279 0.000 . . . . . . 119 GLU CB . 25875 1 259 . 1 1 32 32 GLU N N 15 118.034 0.000 . . . . . . 119 GLU N . 25875 1 260 . 1 1 33 33 LEU H H 1 7.744 0.000 . . . . . . 120 LEU HN . 25875 1 261 . 1 1 33 33 LEU HA H 1 4.160 0.000 . . . . . . 120 LEU HA . 25875 1 262 . 1 1 33 33 LEU HB2 H 1 1.832 0.000 . . . . . . 120 LEU QB . 25875 1 263 . 1 1 33 33 LEU HB3 H 1 1.832 0.000 . . . . . . 120 LEU QB . 25875 1 264 . 1 1 33 33 LEU HD11 H 1 0.847 0.000 . . . . . . 120 LEU QQD . 25875 1 265 . 1 1 33 33 LEU HD12 H 1 0.847 0.000 . . . . . . 120 LEU QQD . 25875 1 266 . 1 1 33 33 LEU HD13 H 1 0.847 0.000 . . . . . . 120 LEU QQD . 25875 1 267 . 1 1 33 33 LEU HD21 H 1 0.847 0.000 . . . . . . 120 LEU QQD . 25875 1 268 . 1 1 33 33 LEU HD22 H 1 0.847 0.000 . . . . . . 120 LEU QQD . 25875 1 269 . 1 1 33 33 LEU HD23 H 1 0.847 0.000 . . . . . . 120 LEU QQD . 25875 1 270 . 1 1 33 33 LEU HG H 1 1.533 0.000 . . . . . . 120 LEU HG . 25875 1 271 . 1 1 33 33 LEU C C 13 177.725 0.000 . . . . . . 120 LEU C . 25875 1 272 . 1 1 33 33 LEU CA C 13 56.691 0.000 . . . . . . 120 LEU CA . 25875 1 273 . 1 1 33 33 LEU CB C 13 42.545 0.000 . . . . . . 120 LEU CB . 25875 1 274 . 1 1 33 33 LEU N N 15 118.980 0.000 . . . . . . 120 LEU N . 25875 1 275 . 1 1 34 34 ASP H H 1 7.719 0.000 . . . . . . 121 ASP HN . 25875 1 276 . 1 1 34 34 ASP HA H 1 4.652 0.000 . . . . . . 121 ASP HA . 25875 1 277 . 1 1 34 34 ASP HB2 H 1 2.846 0.000 . . . . . . 121 ASP HB2 . 25875 1 278 . 1 1 34 34 ASP HB3 H 1 2.443 0.000 . . . . . . 121 ASP HB3 . 25875 1 279 . 1 1 34 34 ASP C C 13 174.722 0.000 . . . . . . 121 ASP C . 25875 1 280 . 1 1 34 34 ASP CA C 13 53.654 0.000 . . . . . . 121 ASP CA . 25875 1 281 . 1 1 34 34 ASP CB C 13 41.187 0.000 . . . . . . 121 ASP CB . 25875 1 282 . 1 1 34 34 ASP N N 15 118.291 0.000 . . . . . . 121 ASP N . 25875 1 283 . 1 1 35 35 ASP H H 1 8.396 0.000 . . . . . . 122 ASP HN . 25875 1 284 . 1 1 35 35 ASP HA H 1 4.563 0.000 . . . . . . 122 ASP HA . 25875 1 285 . 1 1 35 35 ASP HB2 H 1 2.891 0.000 . . . . . . 122 ASP HB2 . 25875 1 286 . 1 1 35 35 ASP HB3 H 1 2.742 0.000 . . . . . . 122 ASP HB3 . 25875 1 287 . 1 1 35 35 ASP C C 13 177.332 0.000 . . . . . . 122 ASP C . 25875 1 288 . 1 1 35 35 ASP CA C 13 55.492 0.000 . . . . . . 122 ASP CA . 25875 1 289 . 1 1 35 35 ASP CB C 13 40.388 0.000 . . . . . . 122 ASP CB . 25875 1 290 . 1 1 35 35 ASP N N 15 122.804 0.000 . . . . . . 122 ASP N . 25875 1 291 . 1 1 36 36 LYS H H 1 8.232 0.000 . . . . . . 123 LYS HN . 25875 1 292 . 1 1 36 36 LYS HA H 1 4.354 0.000 . . . . . . 123 LYS HA . 25875 1 293 . 1 1 36 36 LYS HB2 H 1 1.906 0.000 . . . . . . 123 LYS QB . 25875 1 294 . 1 1 36 36 LYS HB3 H 1 1.906 0.000 . . . . . . 123 LYS QB . 25875 1 295 . 1 1 36 36 LYS HD2 H 1 1.673 0.000 . . . . . . 123 LYS QD . 25875 1 296 . 1 1 36 36 LYS HD3 H 1 1.673 0.000 . . . . . . 123 LYS QD . 25875 1 297 . 1 1 36 36 LYS HE2 H 1 2.876 0.000 . . . . . . 123 LYS QE . 25875 1 298 . 1 1 36 36 LYS HE3 H 1 2.876 0.000 . . . . . . 123 LYS QE . 25875 1 299 . 1 1 36 36 LYS HG2 H 1 1.501 0.000 . . . . . . 123 LYS HG2 . 25875 1 300 . 1 1 36 36 LYS HG3 H 1 1.444 0.000 . . . . . . 123 LYS HG3 . 25875 1 301 . 1 1 36 36 LYS C C 13 177.296 0.000 . . . . . . 123 LYS C . 25875 1 302 . 1 1 36 36 LYS CA C 13 55.572 0.000 . . . . . . 123 LYS CA . 25875 1 303 . 1 1 36 36 LYS CB C 13 32.156 0.000 . . . . . . 123 LYS CB . 25875 1 304 . 1 1 36 36 LYS N N 15 118.139 0.000 . . . . . . 123 LYS N . 25875 1 305 . 1 1 37 37 ILE H H 1 7.286 0.000 . . . . . . 124 ILE HN . 25875 1 306 . 1 1 37 37 ILE HA H 1 4.190 0.000 . . . . . . 124 ILE HA . 25875 1 307 . 1 1 37 37 ILE HB H 1 1.791 0.000 . . . . . . 124 ILE HB . 25875 1 308 . 1 1 37 37 ILE HD11 H 1 0.847 0.000 . . . . . . 124 ILE QD1 . 25875 1 309 . 1 1 37 37 ILE HD12 H 1 0.847 0.000 . . . . . . 124 ILE QD1 . 25875 1 310 . 1 1 37 37 ILE HD13 H 1 0.847 0.000 . . . . . . 124 ILE QD1 . 25875 1 311 . 1 1 37 37 ILE HG12 H 1 1.414 0.000 . . . . . . 124 ILE HG12 . 25875 1 312 . 1 1 37 37 ILE HG13 H 1 1.270 0.000 . . . . . . 124 ILE HG13 . 25875 1 313 . 1 1 37 37 ILE HG21 H 1 0.978 0.000 . . . . . . 124 ILE QG2 . 25875 1 314 . 1 1 37 37 ILE HG22 H 1 0.978 0.000 . . . . . . 124 ILE QG2 . 25875 1 315 . 1 1 37 37 ILE HG23 H 1 0.978 0.000 . . . . . . 124 ILE QG2 . 25875 1 316 . 1 1 37 37 ILE C C 13 175.902 0.000 . . . . . . 124 ILE C . 25875 1 317 . 1 1 37 37 ILE CA C 13 62.285 0.000 . . . . . . 124 ILE CA . 25875 1 318 . 1 1 37 37 ILE CB C 13 38.869 0.000 . . . . . . 124 ILE CB . 25875 1 319 . 1 1 37 37 ILE N N 15 122.372 0.000 . . . . . . 124 ILE N . 25875 1 320 . 1 1 38 38 THR H H 1 8.588 0.000 . . . . . . 125 THR HN . 25875 1 321 . 1 1 38 38 THR HA H 1 4.622 0.000 . . . . . . 125 THR HA . 25875 1 322 . 1 1 38 38 THR HB H 1 4.190 0.000 . . . . . . 125 THR HB . 25875 1 323 . 1 1 38 38 THR HG21 H 1 1.429 0.000 . . . . . . 125 THR QG2 . 25875 1 324 . 1 1 38 38 THR HG22 H 1 1.429 0.000 . . . . . . 125 THR QG2 . 25875 1 325 . 1 1 38 38 THR HG23 H 1 1.429 0.000 . . . . . . 125 THR QG2 . 25875 1 326 . 1 1 38 38 THR C C 13 173.524 0.000 . . . . . . 125 THR C . 25875 1 327 . 1 1 38 38 THR CA C 13 60.447 0.000 . . . . . . 125 THR CA . 25875 1 328 . 1 1 38 38 THR CB C 13 68.919 0.000 . . . . . . 125 THR CB . 25875 1 329 . 1 1 38 38 THR N N 15 120.008 0.000 . . . . . . 125 THR N . 25875 1 330 . 1 1 39 39 PRO HA H 1 3.902 0.000 . . . . . . 126 PRO HA . 25875 1 331 . 1 1 39 39 PRO C C 13 178.798 0.000 . . . . . . 126 PRO C . 25875 1 332 . 1 1 39 39 PRO CA C 13 66.041 0.000 . . . . . . 126 PRO CA . 25875 1 333 . 1 1 39 39 PRO CB C 13 31.836 0.000 . . . . . . 126 PRO CB . 25875 1 334 . 1 1 40 40 GLU H H 1 8.708 0.000 . . . . . . 127 GLU HN . 25875 1 335 . 1 1 40 40 GLU HA H 1 4.105 0.000 . . . . . . 127 GLU HA . 25875 1 336 . 1 1 40 40 GLU HB2 H 1 2.014 0.000 . . . . . . 127 GLU HB2 . 25875 1 337 . 1 1 40 40 GLU HB3 H 1 1.926 0.000 . . . . . . 127 GLU HB3 . 25875 1 338 . 1 1 40 40 GLU HG2 H 1 2.402 0.000 . . . . . . 127 GLU HG2 . 25875 1 339 . 1 1 40 40 GLU HG3 H 1 2.255 0.000 . . . . . . 127 GLU HG3 . 25875 1 340 . 1 1 40 40 GLU C C 13 179.298 0.000 . . . . . . 127 GLU C . 25875 1 341 . 1 1 40 40 GLU CA C 13 60.127 0.000 . . . . . . 127 GLU CA . 25875 1 342 . 1 1 40 40 GLU CB C 13 28.799 0.000 . . . . . . 127 GLU CB . 25875 1 343 . 1 1 40 40 GLU N N 15 116.107 0.000 . . . . . . 127 GLU N . 25875 1 344 . 1 1 41 41 ASP H H 1 7.737 0.000 . . . . . . 128 ASP HN . 25875 1 345 . 1 1 41 41 ASP HA H 1 4.467 0.000 . . . . . . 128 ASP HA . 25875 1 346 . 1 1 41 41 ASP HB2 H 1 2.901 0.000 . . . . . . 128 ASP HB2 . 25875 1 347 . 1 1 41 41 ASP HB3 H 1 2.527 0.000 . . . . . . 128 ASP HB3 . 25875 1 348 . 1 1 41 41 ASP C C 13 179.120 0.000 . . . . . . 128 ASP C . 25875 1 349 . 1 1 41 41 ASP CA C 13 57.170 0.000 . . . . . . 128 ASP CA . 25875 1 350 . 1 1 41 41 ASP CB C 13 39.908 0.000 . . . . . . 128 ASP CB . 25875 1 351 . 1 1 41 41 ASP N N 15 121.776 0.000 . . . . . . 128 ASP N . 25875 1 352 . 1 1 42 42 LEU H H 1 8.499 0.000 . . . . . . 129 LEU HN . 25875 1 353 . 1 1 42 42 LEU HB2 H 1 1.782 0.000 . . . . . . 129 LEU HB2 . 25875 1 354 . 1 1 42 42 LEU HB3 H 1 1.608 0.000 . . . . . . 129 LEU HB3 . 25875 1 355 . 1 1 42 42 LEU HD11 H 1 0.890 0.000 . . . . . . 129 LEU QQD . 25875 1 356 . 1 1 42 42 LEU HD12 H 1 0.890 0.000 . . . . . . 129 LEU QQD . 25875 1 357 . 1 1 42 42 LEU HD13 H 1 0.890 0.000 . . . . . . 129 LEU QQD . 25875 1 358 . 1 1 42 42 LEU HD21 H 1 0.890 0.000 . . . . . . 129 LEU QQD . 25875 1 359 . 1 1 42 42 LEU HD22 H 1 0.890 0.000 . . . . . . 129 LEU QQD . 25875 1 360 . 1 1 42 42 LEU HD23 H 1 0.890 0.000 . . . . . . 129 LEU QQD . 25875 1 361 . 1 1 42 42 LEU HG H 1 1.291 0.000 . . . . . . 129 LEU HG . 25875 1 362 . 1 1 42 42 LEU C C 13 178.136 0.000 . . . . . . 129 LEU C . 25875 1 363 . 1 1 42 42 LEU CA C 13 58.529 0.000 . . . . . . 129 LEU CA . 25875 1 364 . 1 1 42 42 LEU CB C 13 41.906 0.000 . . . . . . 129 LEU CB . 25875 1 365 . 1 1 42 42 LEU N N 15 123.190 0.000 . . . . . . 129 LEU N . 25875 1 366 . 1 1 43 43 ASP H H 1 8.057 0.000 . . . . . . 130 ASP HN . 25875 1 367 . 1 1 43 43 ASP HA H 1 4.276 0.000 . . . . . . 130 ASP HA . 25875 1 368 . 1 1 43 43 ASP HB2 H 1 2.803 0.000 . . . . . . 130 ASP HB2 . 25875 1 369 . 1 1 43 43 ASP HB3 H 1 2.615 0.000 . . . . . . 130 ASP HB3 . 25875 1 370 . 1 1 43 43 ASP C C 13 179.424 0.000 . . . . . . 130 ASP C . 25875 1 371 . 1 1 43 43 ASP CA C 13 58.050 0.000 . . . . . . 130 ASP CA . 25875 1 372 . 1 1 43 43 ASP CB C 13 40.228 0.000 . . . . . . 130 ASP CB . 25875 1 373 . 1 1 43 43 ASP N N 15 118.104 0.000 . . . . . . 130 ASP N . 25875 1 374 . 1 1 44 44 MET H H 1 7.639 0.000 . . . . . . 131 MET HN . 25875 1 375 . 1 1 44 44 MET HA H 1 4.200 0.000 . . . . . . 131 MET HA . 25875 1 376 . 1 1 44 44 MET HB2 H 1 2.195 0.000 . . . . . . 131 MET QB . 25875 1 377 . 1 1 44 44 MET HB3 H 1 2.195 0.000 . . . . . . 131 MET QB . 25875 1 378 . 1 1 44 44 MET HG2 H 1 2.723 0.000 . . . . . . 131 MET HG2 . 25875 1 379 . 1 1 44 44 MET HG3 H 1 2.612 0.000 . . . . . . 131 MET HG3 . 25875 1 380 . 1 1 44 44 MET C C 13 178.548 0.000 . . . . . . 131 MET C . 25875 1 381 . 1 1 44 44 MET CA C 13 58.449 0.000 . . . . . . 131 MET CA . 25875 1 382 . 1 1 44 44 MET CB C 13 32.396 0.000 . . . . . . 131 MET CB . 25875 1 383 . 1 1 44 44 MET N N 15 118.618 0.000 . . . . . . 131 MET N . 25875 1 384 . 1 1 45 45 MET H H 1 8.370 0.000 . . . . . . 132 MET HN . 25875 1 385 . 1 1 45 45 MET HA H 1 4.154 0.000 . . . . . . 132 MET HA . 25875 1 386 . 1 1 45 45 MET HB2 H 1 2.218 0.000 . . . . . . 132 MET HB2 . 25875 1 387 . 1 1 45 45 MET HB3 H 1 1.977 0.000 . . . . . . 132 MET HB3 . 25875 1 388 . 1 1 45 45 MET HG2 H 1 2.508 0.000 . . . . . . 132 MET QG . 25875 1 389 . 1 1 45 45 MET HG3 H 1 2.508 0.000 . . . . . . 132 MET QG . 25875 1 390 . 1 1 45 45 MET C C 13 178.655 0.000 . . . . . . 132 MET C . 25875 1 391 . 1 1 45 45 MET CA C 13 59.248 0.000 . . . . . . 132 MET CA . 25875 1 392 . 1 1 45 45 MET CB C 13 32.955 0.000 . . . . . . 132 MET CB . 25875 1 393 . 1 1 45 45 MET N N 15 120.339 0.000 . . . . . . 132 MET N . 25875 1 394 . 1 1 46 46 ILE H H 1 8.283 0.000 . . . . . . 133 ILE HN . 25875 1 395 . 1 1 46 46 ILE HA H 1 3.532 0.000 . . . . . . 133 ILE HA . 25875 1 396 . 1 1 46 46 ILE HB H 1 2.026 0.000 . . . . . . 133 ILE HB . 25875 1 397 . 1 1 46 46 ILE HD11 H 1 0.757 0.000 . . . . . . 133 ILE QD1 . 25875 1 398 . 1 1 46 46 ILE HD12 H 1 0.757 0.000 . . . . . . 133 ILE QD1 . 25875 1 399 . 1 1 46 46 ILE HD13 H 1 0.757 0.000 . . . . . . 133 ILE QD1 . 25875 1 400 . 1 1 46 46 ILE HG12 H 1 1.535 0.000 . . . . . . 133 ILE HG12 . 25875 1 401 . 1 1 46 46 ILE HG13 H 1 1.415 0.000 . . . . . . 133 ILE HG13 . 25875 1 402 . 1 1 46 46 ILE HG21 H 1 0.906 0.000 . . . . . . 133 ILE QG2 . 25875 1 403 . 1 1 46 46 ILE HG22 H 1 0.906 0.000 . . . . . . 133 ILE QG2 . 25875 1 404 . 1 1 46 46 ILE HG23 H 1 0.906 0.000 . . . . . . 133 ILE QG2 . 25875 1 405 . 1 1 46 46 ILE C C 13 177.135 0.000 . . . . . . 133 ILE C . 25875 1 406 . 1 1 46 46 ILE CA C 13 64.523 0.000 . . . . . . 133 ILE CA . 25875 1 407 . 1 1 46 46 ILE CB C 13 36.392 0.000 . . . . . . 133 ILE CB . 25875 1 408 . 1 1 46 46 ILE N N 15 118.563 0.000 . . . . . . 133 ILE N . 25875 1 409 . 1 1 47 47 GLN H H 1 7.482 0.000 . . . . . . 134 GLN HN . 25875 1 410 . 1 1 47 47 GLN HA H 1 4.027 0.000 . . . . . . 134 GLN HA . 25875 1 411 . 1 1 47 47 GLN HB2 H 1 2.145 0.000 . . . . . . 134 GLN QB . 25875 1 412 . 1 1 47 47 GLN HB3 H 1 2.145 0.000 . . . . . . 134 GLN QB . 25875 1 413 . 1 1 47 47 GLN HG2 H 1 2.473 0.000 . . . . . . 134 GLN QG . 25875 1 414 . 1 1 47 47 GLN HG3 H 1 2.473 0.000 . . . . . . 134 GLN QG . 25875 1 415 . 1 1 47 47 GLN C C 13 177.779 0.000 . . . . . . 134 GLN C . 25875 1 416 . 1 1 47 47 GLN CA C 13 58.529 0.000 . . . . . . 134 GLN CA . 25875 1 417 . 1 1 47 47 GLN CB C 13 28.480 0.000 . . . . . . 134 GLN CB . 25875 1 418 . 1 1 47 47 GLN N N 15 117.228 0.000 . . . . . . 134 GLN N . 25875 1 419 . 1 1 48 48 GLU H H 1 7.650 0.000 . . . . . . 135 GLU HN . 25875 1 420 . 1 1 48 48 GLU HA H 1 4.011 0.000 . . . . . . 135 GLU HA . 25875 1 421 . 1 1 48 48 GLU HB2 H 1 2.115 0.000 . . . . . . 135 GLU QB . 25875 1 422 . 1 1 48 48 GLU HB3 H 1 2.115 0.000 . . . . . . 135 GLU QB . 25875 1 423 . 1 1 48 48 GLU HG2 H 1 2.339 0.000 . . . . . . 135 GLU QG . 25875 1 424 . 1 1 48 48 GLU HG3 H 1 2.339 0.000 . . . . . . 135 GLU QG . 25875 1 425 . 1 1 48 48 GLU C C 13 178.136 0.000 . . . . . . 135 GLU C . 25875 1 426 . 1 1 48 48 GLU CA C 13 58.449 0.000 . . . . . . 135 GLU CA . 25875 1 427 . 1 1 48 48 GLU CB C 13 29.758 0.000 . . . . . . 135 GLU CB . 25875 1 428 . 1 1 48 48 GLU N N 15 117.333 0.000 . . . . . . 135 GLU N . 25875 1 429 . 1 1 49 49 ILE H H 1 8.144 0.000 . . . . . . 136 ILE HN . 25875 1 430 . 1 1 49 49 ILE HA H 1 3.861 0.000 . . . . . . 136 ILE HA . 25875 1 431 . 1 1 49 49 ILE HB H 1 1.742 0.000 . . . . . . 136 ILE HB . 25875 1 432 . 1 1 49 49 ILE HD11 H 1 0.876 0.000 . . . . . . 136 ILE QD1 . 25875 1 433 . 1 1 49 49 ILE HD12 H 1 0.876 0.000 . . . . . . 136 ILE QD1 . 25875 1 434 . 1 1 49 49 ILE HD13 H 1 0.876 0.000 . . . . . . 136 ILE QD1 . 25875 1 435 . 1 1 49 49 ILE HG21 H 1 1.055 0.000 . . . . . . 136 ILE QG2 . 25875 1 436 . 1 1 49 49 ILE HG22 H 1 1.055 0.000 . . . . . . 136 ILE QG2 . 25875 1 437 . 1 1 49 49 ILE HG23 H 1 1.055 0.000 . . . . . . 136 ILE QG2 . 25875 1 438 . 1 1 49 49 ILE C C 13 177.582 0.000 . . . . . . 136 ILE C . 25875 1 439 . 1 1 49 49 ILE CA C 13 63.884 0.000 . . . . . . 136 ILE CA . 25875 1 440 . 1 1 49 49 ILE CB C 13 38.629 0.000 . . . . . . 136 ILE CB . 25875 1 441 . 1 1 49 49 ILE N N 15 117.777 0.000 . . . . . . 136 ILE N . 25875 1 442 . 1 1 50 50 ASP H H 1 8.188 0.000 . . . . . . 137 ASP HN . 25875 1 443 . 1 1 50 50 ASP HA H 1 5.011 0.000 . . . . . . 137 ASP HA . 25875 1 444 . 1 1 50 50 ASP HB2 H 1 2.846 0.000 . . . . . . 137 ASP HB2 . 25875 1 445 . 1 1 50 50 ASP HB3 H 1 1.951 0.000 . . . . . . 137 ASP HB3 . 25875 1 446 . 1 1 50 50 ASP C C 13 178.297 0.000 . . . . . . 137 ASP C . 25875 1 447 . 1 1 50 50 ASP CA C 13 52.375 0.000 . . . . . . 137 ASP CA . 25875 1 448 . 1 1 50 50 ASP CB C 13 38.629 0.000 . . . . . . 137 ASP CB . 25875 1 449 . 1 1 50 50 ASP N N 15 118.373 0.000 . . . . . . 137 ASP N . 25875 1 450 . 1 1 51 51 SER H H 1 8.152 0.000 . . . . . . 138 SER HN . 25875 1 451 . 1 1 51 51 SER HB2 H 1 4.190 0.000 . . . . . . 138 SER HB2 . 25875 1 452 . 1 1 51 51 SER HB3 H 1 4.025 0.000 . . . . . . 138 SER HB3 . 25875 1 453 . 1 1 51 51 SER C C 13 177.493 0.000 . . . . . . 138 SER C . 25875 1 454 . 1 1 51 51 SER CA C 13 60.847 0.000 . . . . . . 138 SER CA . 25875 1 455 . 1 1 51 51 SER CB C 13 63.324 0.000 . . . . . . 138 SER CB . 25875 1 456 . 1 1 51 51 SER N N 15 119.763 0.000 . . . . . . 138 SER N . 25875 1 457 . 1 1 52 52 ASP H H 1 8.035 0.000 . . . . . . 139 ASP HN . 25875 1 458 . 1 1 52 52 ASP HA H 1 4.742 0.000 . . . . . . 139 ASP HA . 25875 1 459 . 1 1 52 52 ASP HB2 H 1 3.070 0.000 . . . . . . 139 ASP HB2 . 25875 1 460 . 1 1 52 52 ASP HB3 H 1 2.757 0.000 . . . . . . 139 ASP HB3 . 25875 1 461 . 1 1 52 52 ASP C C 13 177.672 0.000 . . . . . . 139 ASP C . 25875 1 462 . 1 1 52 52 ASP CA C 13 52.695 0.000 . . . . . . 139 ASP CA . 25875 1 463 . 1 1 52 52 ASP CB C 13 39.988 0.000 . . . . . . 139 ASP CB . 25875 1 464 . 1 1 52 52 ASP N N 15 117.532 0.000 . . . . . . 139 ASP N . 25875 1 465 . 1 1 53 53 GLY H H 1 8.096 0.000 . . . . . . 140 GLY HN . 25875 1 466 . 1 1 53 53 GLY HA2 H 1 3.827 0.000 . . . . . . 140 GLY QA . 25875 1 467 . 1 1 53 53 GLY HA3 H 1 3.827 0.000 . . . . . . 140 GLY QA . 25875 1 468 . 1 1 53 53 GLY C C 13 175.348 0.000 . . . . . . 140 GLY C . 25875 1 469 . 1 1 53 53 GLY CA C 13 47.101 0.000 . . . . . . 140 GLY CA . 25875 1 470 . 1 1 53 53 GLY N N 15 109.597 0.000 . . . . . . 140 GLY N . 25875 1 471 . 1 1 54 54 SER H H 1 8.385 0.000 . . . . . . 141 SER HN . 25875 1 472 . 1 1 54 54 SER HA H 1 4.164 0.000 . . . . . . 141 SER HA . 25875 1 473 . 1 1 54 54 SER HB2 H 1 3.878 0.000 . . . . . . 141 SER QB . 25875 1 474 . 1 1 54 54 SER HB3 H 1 3.878 0.000 . . . . . . 141 SER QB . 25875 1 475 . 1 1 54 54 SER C C 13 176.331 0.000 . . . . . . 141 SER C . 25875 1 476 . 1 1 54 54 SER CA C 13 60.447 0.000 . . . . . . 141 SER CA . 25875 1 477 . 1 1 54 54 SER CB C 13 65.003 0.000 . . . . . . 141 SER CB . 25875 1 478 . 1 1 54 54 SER N N 15 115.675 0.000 . . . . . . 141 SER N . 25875 1 479 . 1 1 55 55 GLY H H 1 10.868 0.002 . . . . . . 142 GLY HN . 25875 1 480 . 1 1 55 55 GLY HA2 H 1 4.224 0.000 . . . . . . 142 GLY HA2 . 25875 1 481 . 1 1 55 55 GLY HA3 H 1 3.599 0.000 . . . . . . 142 GLY HA3 . 25875 1 482 . 1 1 55 55 GLY C C 13 173.578 0.000 . . . . . . 142 GLY C . 25875 1 483 . 1 1 55 55 GLY CA C 13 45.422 0.000 . . . . . . 142 GLY CA . 25875 1 484 . 1 1 55 55 GLY N N 15 116.736 0.000 . . . . . . 142 GLY N . 25875 1 485 . 1 1 56 56 THR H H 1 7.905 0.000 . . . . . . 143 THR HN . 25875 1 486 . 1 1 56 56 THR HA H 1 4.764 0.000 . . . . . . 143 THR HA . 25875 1 487 . 1 1 56 56 THR HB H 1 3.931 0.000 . . . . . . 143 THR HB . 25875 1 488 . 1 1 56 56 THR HG21 H 1 1.038 0.000 . . . . . . 143 THR QG2 . 25875 1 489 . 1 1 56 56 THR HG22 H 1 1.038 0.000 . . . . . . 143 THR QG2 . 25875 1 490 . 1 1 56 56 THR HG23 H 1 1.038 0.000 . . . . . . 143 THR QG2 . 25875 1 491 . 1 1 56 56 THR C C 13 172.362 0.000 . . . . . . 143 THR C . 25875 1 492 . 1 1 56 56 THR CA C 13 58.449 0.000 . . . . . . 143 THR CA . 25875 1 493 . 1 1 56 56 THR CB C 13 72.835 0.000 . . . . . . 143 THR CB . 25875 1 494 . 1 1 56 56 THR N N 15 110.164 0.000 . . . . . . 143 THR N . 25875 1 495 . 1 1 57 57 VAL H H 1 9.852 0.001 . . . . . . 144 VAL HN . 25875 1 496 . 1 1 57 57 VAL HA H 1 5.269 0.000 . . . . . . 144 VAL HA . 25875 1 497 . 1 1 57 57 VAL HB H 1 2.069 0.000 . . . . . . 144 VAL HB . 25875 1 498 . 1 1 57 57 VAL HG11 H 1 1.123 0.000 . . . . . . 144 VAL QG1 . 25875 1 499 . 1 1 57 57 VAL HG12 H 1 1.123 0.000 . . . . . . 144 VAL QG1 . 25875 1 500 . 1 1 57 57 VAL HG13 H 1 1.123 0.000 . . . . . . 144 VAL QG1 . 25875 1 501 . 1 1 57 57 VAL HG21 H 1 0.776 0.000 . . . . . . 144 VAL QG2 . 25875 1 502 . 1 1 57 57 VAL HG22 H 1 0.776 0.000 . . . . . . 144 VAL QG2 . 25875 1 503 . 1 1 57 57 VAL HG23 H 1 0.776 0.000 . . . . . . 144 VAL QG2 . 25875 1 504 . 1 1 57 57 VAL C C 13 174.740 0.000 . . . . . . 144 VAL C . 25875 1 505 . 1 1 57 57 VAL CA C 13 60.847 0.000 . . . . . . 144 VAL CA . 25875 1 506 . 1 1 57 57 VAL CB C 13 34.074 0.000 . . . . . . 144 VAL CB . 25875 1 507 . 1 1 57 57 VAL N N 15 126.835 0.000 . . . . . . 144 VAL N . 25875 1 508 . 1 1 58 58 ASP H H 1 8.286 0.000 . . . . . . 145 ASP HN . 25875 1 509 . 1 1 58 58 ASP HA H 1 5.462 0.000 . . . . . . 145 ASP HA . 25875 1 510 . 1 1 58 58 ASP HB2 H 1 2.510 0.000 . . . . . . 145 ASP HB2 . 25875 1 511 . 1 1 58 58 ASP HB3 H 1 2.416 0.000 . . . . . . 145 ASP HB3 . 25875 1 512 . 1 1 58 58 ASP C C 13 175.777 0.000 . . . . . . 145 ASP C . 25875 1 513 . 1 1 58 58 ASP CA C 13 51.976 0.000 . . . . . . 145 ASP CA . 25875 1 514 . 1 1 58 58 ASP CB C 13 42.306 0.000 . . . . . . 145 ASP CB . 25875 1 515 . 1 1 58 58 ASP N N 15 126.306 0.000 . . . . . . 145 ASP N . 25875 1 516 . 1 1 59 59 PHE H H 1 8.556 0.000 . . . . . . 146 PHE HN . 25875 1 517 . 1 1 59 59 PHE HA H 1 5.428 0.000 . . . . . . 146 PHE HA . 25875 1 518 . 1 1 59 59 PHE HB2 H 1 3.264 0.000 . . . . . . 146 PHE HB2 . 25875 1 519 . 1 1 59 59 PHE HB3 H 1 3.011 0.000 . . . . . . 146 PHE HB3 . 25875 1 520 . 1 1 59 59 PHE C C 13 176.436 0.000 . . . . . . 146 PHE C . 25875 1 521 . 1 1 59 59 PHE CA C 13 62.205 0.000 . . . . . . 146 PHE CA . 25875 1 522 . 1 1 59 59 PHE CB C 13 39.029 0.000 . . . . . . 146 PHE CB . 25875 1 523 . 1 1 59 59 PHE N N 15 119.378 0.000 . . . . . . 146 PHE N . 25875 1 524 . 1 1 60 60 ASP H H 1 8.003 0.000 . . . . . . 147 ASP HN . 25875 1 525 . 1 1 60 60 ASP HA H 1 4.757 0.000 . . . . . . 147 ASP HA . 25875 1 526 . 1 1 60 60 ASP HB2 H 1 3.100 0.000 . . . . . . 147 ASP HB2 . 25875 1 527 . 1 1 60 60 ASP HB3 H 1 2.772 0.000 . . . . . . 147 ASP HB3 . 25875 1 528 . 1 1 60 60 ASP C C 13 179.233 0.000 . . . . . . 147 ASP C . 25875 1 529 . 1 1 60 60 ASP CA C 13 57.970 0.000 . . . . . . 147 ASP CA . 25875 1 530 . 1 1 60 60 ASP CB C 13 40.068 0.000 . . . . . . 147 ASP CB . 25875 1 531 . 1 1 60 60 ASP N N 15 117.263 0.000 . . . . . . 147 ASP N . 25875 1 532 . 1 1 61 61 GLU H H 1 8.283 0.000 . . . . . . 148 GLU HN . 25875 1 533 . 1 1 61 61 GLU HA H 1 4.040 0.000 . . . . . . 148 GLU HA . 25875 1 534 . 1 1 61 61 GLU HB2 H 1 2.414 0.000 . . . . . . 148 GLU QB . 25875 1 535 . 1 1 61 61 GLU HB3 H 1 2.414 0.000 . . . . . . 148 GLU QB . 25875 1 536 . 1 1 61 61 GLU C C 13 179.227 0.000 . . . . . . 148 GLU C . 25875 1 537 . 1 1 61 61 GLU CA C 13 59.089 0.000 . . . . . . 148 GLU CA . 25875 1 538 . 1 1 61 61 GLU CB C 13 30.078 0.000 . . . . . . 148 GLU CB . 25875 1 539 . 1 1 61 61 GLU N N 15 121.632 0.000 . . . . . . 148 GLU N . 25875 1 540 . 1 1 62 62 PHE H H 1 8.126 0.000 . . . . . . 149 PHE HN . 25875 1 541 . 1 1 62 62 PHE HA H 1 4.022 0.000 . . . . . . 149 PHE HA . 25875 1 542 . 1 1 62 62 PHE HB2 H 1 2.996 0.000 . . . . . . 149 PHE QB . 25875 1 543 . 1 1 62 62 PHE HB3 H 1 2.996 0.000 . . . . . . 149 PHE QB . 25875 1 544 . 1 1 62 62 PHE C C 13 176.492 0.000 . . . . . . 149 PHE C . 25875 1 545 . 1 1 62 62 PHE CA C 13 60.527 0.000 . . . . . . 149 PHE CA . 25875 1 546 . 1 1 62 62 PHE CB C 13 40.068 0.000 . . . . . . 149 PHE CB . 25875 1 547 . 1 1 62 62 PHE N N 15 118.992 0.000 . . . . . . 149 PHE N . 25875 1 548 . 1 1 63 63 MET H H 1 8.436 0.000 . . . . . . 150 MET HN . 25875 1 549 . 1 1 63 63 MET HA H 1 3.652 0.000 . . . . . . 150 MET HA . 25875 1 550 . 1 1 63 63 MET HB2 H 1 2.100 0.000 . . . . . . 150 MET HB2 . 25875 1 551 . 1 1 63 63 MET HB3 H 1 1.712 0.000 . . . . . . 150 MET HB3 . 25875 1 552 . 1 1 63 63 MET C C 13 177.743 0.000 . . . . . . 150 MET C . 25875 1 553 . 1 1 63 63 MET CA C 13 57.810 0.000 . . . . . . 150 MET CA . 25875 1 554 . 1 1 63 63 MET CB C 13 31.357 0.000 . . . . . . 150 MET CB . 25875 1 555 . 1 1 63 63 MET N N 15 117.030 0.000 . . . . . . 150 MET N . 25875 1 556 . 1 1 64 64 GLU H H 1 7.669 0.001 . . . . . . 151 GLU HN . 25875 1 557 . 1 1 64 64 GLU HA H 1 3.936 0.000 . . . . . . 151 GLU HA . 25875 1 558 . 1 1 64 64 GLU HB2 H 1 2.306 0.000 . . . . . . 151 GLU HB2 . 25875 1 559 . 1 1 64 64 GLU HB3 H 1 2.082 0.000 . . . . . . 151 GLU HB3 . 25875 1 560 . 1 1 64 64 GLU C C 13 178.297 0.000 . . . . . . 151 GLU C . 25875 1 561 . 1 1 64 64 GLU CA C 13 58.929 0.000 . . . . . . 151 GLU CA . 25875 1 562 . 1 1 64 64 GLU CB C 13 29.119 0.000 . . . . . . 151 GLU CB . 25875 1 563 . 1 1 64 64 GLU N N 15 117.743 0.000 . . . . . . 151 GLU N . 25875 1 564 . 1 1 65 65 VAL H H 1 7.097 0.000 . . . . . . 152 VAL HN . 25875 1 565 . 1 1 65 65 VAL HA H 1 3.844 0.000 . . . . . . 152 VAL HA . 25875 1 566 . 1 1 65 65 VAL HB H 1 1.834 0.000 . . . . . . 152 VAL HB . 25875 1 567 . 1 1 65 65 VAL HG11 H 1 0.942 0.000 . . . . . . 152 VAL QG1 . 25875 1 568 . 1 1 65 65 VAL HG12 H 1 0.942 0.000 . . . . . . 152 VAL QG1 . 25875 1 569 . 1 1 65 65 VAL HG13 H 1 0.942 0.000 . . . . . . 152 VAL QG1 . 25875 1 570 . 1 1 65 65 VAL HG21 H 1 0.781 0.000 . . . . . . 152 VAL QG2 . 25875 1 571 . 1 1 65 65 VAL HG22 H 1 0.781 0.000 . . . . . . 152 VAL QG2 . 25875 1 572 . 1 1 65 65 VAL HG23 H 1 0.781 0.000 . . . . . . 152 VAL QG2 . 25875 1 573 . 1 1 65 65 VAL C C 13 176.903 0.000 . . . . . . 152 VAL C . 25875 1 574 . 1 1 65 65 VAL CA C 13 64.044 0.000 . . . . . . 152 VAL CA . 25875 1 575 . 1 1 65 65 VAL CB C 13 32.396 0.000 . . . . . . 152 VAL CB . 25875 1 576 . 1 1 65 65 VAL N N 15 115.967 0.000 . . . . . . 152 VAL N . 25875 1 577 . 1 1 66 66 MET H H 1 7.642 0.000 . . . . . . 153 MET HN . 25875 1 578 . 1 1 66 66 MET HA H 1 4.288 0.000 . . . . . . 153 MET HA . 25875 1 579 . 1 1 66 66 MET HB2 H 1 1.722 0.000 . . . . . . 153 MET HB2 . 25875 1 580 . 1 1 66 66 MET HB3 H 1 1.578 0.000 . . . . . . 153 MET HB3 . 25875 1 581 . 1 1 66 66 MET C C 13 177.350 0.000 . . . . . . 153 MET C . 25875 1 582 . 1 1 66 66 MET CA C 13 55.732 0.000 . . . . . . 153 MET CA . 25875 1 583 . 1 1 66 66 MET CB C 13 31.996 0.000 . . . . . . 153 MET CB . 25875 1 584 . 1 1 66 66 MET N N 15 117.789 0.000 . . . . . . 153 MET N . 25875 1 585 . 1 1 67 67 ILE H H 1 7.941 0.000 . . . . . . 154 ILE HN . 25875 1 586 . 1 1 67 67 ILE HA H 1 4.187 0.000 . . . . . . 154 ILE HA . 25875 1 587 . 1 1 67 67 ILE HB H 1 1.899 0.000 . . . . . . 154 ILE HB . 25875 1 588 . 1 1 67 67 ILE HD11 H 1 0.795 0.000 . . . . . . 154 ILE QD1 . 25875 1 589 . 1 1 67 67 ILE HD12 H 1 0.795 0.000 . . . . . . 154 ILE QD1 . 25875 1 590 . 1 1 67 67 ILE HD13 H 1 0.795 0.000 . . . . . . 154 ILE QD1 . 25875 1 591 . 1 1 67 67 ILE HG12 H 1 1.372 0.000 . . . . . . 154 ILE HG12 . 25875 1 592 . 1 1 67 67 ILE HG13 H 1 1.159 0.000 . . . . . . 154 ILE HG13 . 25875 1 593 . 1 1 67 67 ILE HG21 H 1 0.854 0.000 . . . . . . 154 ILE QG2 . 25875 1 594 . 1 1 67 67 ILE HG22 H 1 0.854 0.000 . . . . . . 154 ILE QG2 . 25875 1 595 . 1 1 67 67 ILE HG23 H 1 0.854 0.000 . . . . . . 154 ILE QG2 . 25875 1 596 . 1 1 67 67 ILE C C 13 176.537 0.000 . . . . . . 154 ILE C . 25875 1 597 . 1 1 67 67 ILE CA C 13 61.566 0.000 . . . . . . 154 ILE CA . 25875 1 598 . 1 1 67 67 ILE CB C 13 38.789 0.000 . . . . . . 154 ILE CB . 25875 1 599 . 1 1 67 67 ILE N N 15 117.263 0.000 . . . . . . 154 ILE N . 25875 1 600 . 1 1 68 68 GLY H H 1 7.876 0.000 . . . . . . 155 GLY HN . 25875 1 601 . 1 1 68 68 GLY HA2 H 1 3.974 0.000 . . . . . . 155 GLY QA . 25875 1 602 . 1 1 68 68 GLY HA3 H 1 3.974 0.000 . . . . . . 155 GLY QA . 25875 1 603 . 1 1 68 68 GLY C C 13 174.618 0.000 . . . . . . 155 GLY C . 25875 1 604 . 1 1 68 68 GLY CA C 13 45.662 0.000 . . . . . . 155 GLY CA . 25875 1 605 . 1 1 68 68 GLY N N 15 111.048 0.000 . . . . . . 155 GLY N . 25875 1 606 . 1 1 69 69 GLY H H 1 8.234 0.000 . . . . . . 156 GLY HN . 25875 1 607 . 1 1 69 69 GLY HA2 H 1 3.989 0.000 . . . . . . 156 GLY QA . 25875 1 608 . 1 1 69 69 GLY HA3 H 1 3.989 0.000 . . . . . . 156 GLY QA . 25875 1 609 . 1 1 69 69 GLY C C 13 173.876 0.000 . . . . . . 156 GLY C . 25875 1 610 . 1 1 69 69 GLY CA C 13 45.342 0.000 . . . . . . 156 GLY CA . 25875 1 611 . 1 1 69 69 GLY N N 15 109.062 0.000 . . . . . . 156 GLY N . 25875 1 612 . 1 1 70 70 ASP H H 1 8.345 0.000 . . . . . . 157 ASP HN . 25875 1 613 . 1 1 70 70 ASP HA H 1 4.645 0.000 . . . . . . 157 ASP HA . 25875 1 614 . 1 1 70 70 ASP HB2 H 1 2.708 0.000 . . . . . . 157 ASP HB2 . 25875 1 615 . 1 1 70 70 ASP HB3 H 1 2.578 0.000 . . . . . . 157 ASP HB3 . 25875 1 616 . 1 1 70 70 ASP C C 13 175.344 0.000 . . . . . . 157 ASP C . 25875 1 617 . 1 1 70 70 ASP CA C 13 54.373 0.000 . . . . . . 157 ASP CA . 25875 1 618 . 1 1 70 70 ASP CB C 13 41.267 0.000 . . . . . . 157 ASP CB . 25875 1 619 . 1 1 70 70 ASP N N 15 120.935 0.000 . . . . . . 157 ASP N . 25875 1 620 . 1 1 71 71 GLU H H 1 7.973 0.000 . . . . . . 158 GLU HN . 25875 1 621 . 1 1 71 71 GLU HA H 1 4.098 0.000 . . . . . . 158 GLU HA . 25875 1 622 . 1 1 71 71 GLU HB2 H 1 1.887 0.000 . . . . . . 158 GLU QB . 25875 1 623 . 1 1 71 71 GLU HB3 H 1 1.887 0.000 . . . . . . 158 GLU QB . 25875 1 624 . 1 1 71 71 GLU C C 13 181.212 0.000 . . . . . . 158 GLU C . 25875 1 625 . 1 1 71 71 GLU CA C 13 58.050 0.000 . . . . . . 158 GLU CA . 25875 1 626 . 1 1 71 71 GLU CB C 13 30.877 0.000 . . . . . . 158 GLU CB . 25875 1 627 . 1 1 71 71 GLU N N 15 125.927 0.000 . . . . . . 158 GLU N . 25875 1 stop_ save_