data_25878 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25878 _Entry.Title ; Holo N-terminal TnC F2 backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-11-04 _Entry.Accession_date 2015-11-12 _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 'N-terminus region of Troponin C from Lethocerus' _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 . . . . 25878 2 Annalisa Pastore . . . . 25878 3 Belinda Bullard . . . . 25878 4 Miguel Adrover . . . . 25878 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" . 25878 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25878 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 259 25878 '15N chemical shifts' 87 25878 '1H chemical shifts' 537 25878 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 2015-11-04 update BMRB 'update entry citation' 25878 2 . . 2016-07-22 2015-11-04 update BMRB 'update entry citation' 25878 1 . . 2016-01-29 2015-11-04 original author 'original release' 25878 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25875 'Backbone assignment of Calcium loaded C-terminus of Troponin C isoform 2' 25878 BMRB 25879 'Backbone assignment of Apo C-terminal F2-TnC' 25878 BMRB 25880 'Backbone assignment of N-terminal fragment of F2-TnC from Lethocerus' 25878 BMRB 25896 'Backbone Assignment of Apo Troponin C from Lethocerus Indicus' 25878 BMRB 25897 'Holo F2 TnC' 25878 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25878 _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 . . . . 25878 1 2 Annalisa Pastore . . . . 25878 1 3 Belinda Bullard . . . . 25878 1 4 Miguel Adrover . . . . 25878 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Calcium binding' 25878 1 'solution NMR' 25878 1 'stretch activation' 25878 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25878 _Assembly.ID 1 _Assembly.Name 'N-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 'N-terminus F2 TnC' 1 $Holo_N-term_F2_TnC A . yes native yes yes . . . 25878 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Holo_N-term_F2_TnC _Entity.Sf_category entity _Entity.Sf_framecode Holo_N-term_F2_TnC _Entity.Entry_ID 25878 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Holo_N-term_F2_TnC _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 ; MVAMDDLDKDQIALLKRAFE AFAQEKSYIEANMVGTILQM LGHEVSDKQLTEIIVEVDAD GSGQLEFEEFVTLAARFLTE DNEEDSAA ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N terminal' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 25878 1 2 2 VAL . 25878 1 3 3 ALA . 25878 1 4 4 MET . 25878 1 5 5 ASP . 25878 1 6 6 ASP . 25878 1 7 7 LEU . 25878 1 8 8 ASP . 25878 1 9 9 LYS . 25878 1 10 10 ASP . 25878 1 11 11 GLN . 25878 1 12 12 ILE . 25878 1 13 13 ALA . 25878 1 14 14 LEU . 25878 1 15 15 LEU . 25878 1 16 16 LYS . 25878 1 17 17 ARG . 25878 1 18 18 ALA . 25878 1 19 19 PHE . 25878 1 20 20 GLU . 25878 1 21 21 ALA . 25878 1 22 22 PHE . 25878 1 23 23 ALA . 25878 1 24 24 GLN . 25878 1 25 25 GLU . 25878 1 26 26 LYS . 25878 1 27 27 SER . 25878 1 28 28 TYR . 25878 1 29 29 ILE . 25878 1 30 30 GLU . 25878 1 31 31 ALA . 25878 1 32 32 ASN . 25878 1 33 33 MET . 25878 1 34 34 VAL . 25878 1 35 35 GLY . 25878 1 36 36 THR . 25878 1 37 37 ILE . 25878 1 38 38 LEU . 25878 1 39 39 GLN . 25878 1 40 40 MET . 25878 1 41 41 LEU . 25878 1 42 42 GLY . 25878 1 43 43 HIS . 25878 1 44 44 GLU . 25878 1 45 45 VAL . 25878 1 46 46 SER . 25878 1 47 47 ASP . 25878 1 48 48 LYS . 25878 1 49 49 GLN . 25878 1 50 50 LEU . 25878 1 51 51 THR . 25878 1 52 52 GLU . 25878 1 53 53 ILE . 25878 1 54 54 ILE . 25878 1 55 55 VAL . 25878 1 56 56 GLU . 25878 1 57 57 VAL . 25878 1 58 58 ASP . 25878 1 59 59 ALA . 25878 1 60 60 ASP . 25878 1 61 61 GLY . 25878 1 62 62 SER . 25878 1 63 63 GLY . 25878 1 64 64 GLN . 25878 1 65 65 LEU . 25878 1 66 66 GLU . 25878 1 67 67 PHE . 25878 1 68 68 GLU . 25878 1 69 69 GLU . 25878 1 70 70 PHE . 25878 1 71 71 VAL . 25878 1 72 72 THR . 25878 1 73 73 LEU . 25878 1 74 74 ALA . 25878 1 75 75 ALA . 25878 1 76 76 ARG . 25878 1 77 77 PHE . 25878 1 78 78 LEU . 25878 1 79 79 THR . 25878 1 80 80 GLU . 25878 1 81 81 ASP . 25878 1 82 82 ASN . 25878 1 83 83 GLU . 25878 1 84 84 GLU . 25878 1 85 85 ASP . 25878 1 86 86 SER . 25878 1 87 87 ALA . 25878 1 88 88 ALA . 25878 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25878 1 . VAL 2 2 25878 1 . ALA 3 3 25878 1 . MET 4 4 25878 1 . ASP 5 5 25878 1 . ASP 6 6 25878 1 . LEU 7 7 25878 1 . ASP 8 8 25878 1 . LYS 9 9 25878 1 . ASP 10 10 25878 1 . GLN 11 11 25878 1 . ILE 12 12 25878 1 . ALA 13 13 25878 1 . LEU 14 14 25878 1 . LEU 15 15 25878 1 . LYS 16 16 25878 1 . ARG 17 17 25878 1 . ALA 18 18 25878 1 . PHE 19 19 25878 1 . GLU 20 20 25878 1 . ALA 21 21 25878 1 . PHE 22 22 25878 1 . ALA 23 23 25878 1 . GLN 24 24 25878 1 . GLU 25 25 25878 1 . LYS 26 26 25878 1 . SER 27 27 25878 1 . TYR 28 28 25878 1 . ILE 29 29 25878 1 . GLU 30 30 25878 1 . ALA 31 31 25878 1 . ASN 32 32 25878 1 . MET 33 33 25878 1 . VAL 34 34 25878 1 . GLY 35 35 25878 1 . THR 36 36 25878 1 . ILE 37 37 25878 1 . LEU 38 38 25878 1 . GLN 39 39 25878 1 . MET 40 40 25878 1 . LEU 41 41 25878 1 . GLY 42 42 25878 1 . HIS 43 43 25878 1 . GLU 44 44 25878 1 . VAL 45 45 25878 1 . SER 46 46 25878 1 . ASP 47 47 25878 1 . LYS 48 48 25878 1 . GLN 49 49 25878 1 . LEU 50 50 25878 1 . THR 51 51 25878 1 . GLU 52 52 25878 1 . ILE 53 53 25878 1 . ILE 54 54 25878 1 . VAL 55 55 25878 1 . GLU 56 56 25878 1 . VAL 57 57 25878 1 . ASP 58 58 25878 1 . ALA 59 59 25878 1 . ASP 60 60 25878 1 . GLY 61 61 25878 1 . SER 62 62 25878 1 . GLY 63 63 25878 1 . GLN 64 64 25878 1 . LEU 65 65 25878 1 . GLU 66 66 25878 1 . PHE 67 67 25878 1 . GLU 68 68 25878 1 . GLU 69 69 25878 1 . PHE 70 70 25878 1 . VAL 71 71 25878 1 . THR 72 72 25878 1 . LEU 73 73 25878 1 . ALA 74 74 25878 1 . ALA 75 75 25878 1 . ARG 76 76 25878 1 . PHE 77 77 25878 1 . LEU 78 78 25878 1 . THR 79 79 25878 1 . GLU 80 80 25878 1 . ASP 81 81 25878 1 . ASN 82 82 25878 1 . GLU 83 83 25878 1 . GLU 84 84 25878 1 . ASP 85 85 25878 1 . SER 86 86 25878 1 . ALA 87 87 25878 1 . ALA 88 88 25878 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 25878 _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 $Holo_N-term_F2_TnC . 212017 organism . 'Lethocerus Indicus' 'Lethocerus Indicus' . . Eukaryota Metazoa Lethocerus Indicus . . . . . . . . . . . . . 25878 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 25878 _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 $Holo_N-term_F2_TnC . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pet11a . . . 25878 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25878 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM TRIS, 100mM KCl, 2mM DTT pH 6.8' _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 'Holo N-term F2 TnC' '[U-98% 13C; U-98% 15N]' . . 1 $Holo_N-term_F2_TnC . protein . 0.5 1.0 mM . . . . 25878 1 2 TRIS 'natural abundance' . . . . . buffer 20 . . mM . . . . 25878 1 3 KCl 'natural abundance' . . . . . salt 100 . . mM . . . . 25878 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 25878 1 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25878 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25878 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 25878 _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 25878 1 pH 6.8 . pH 25878 1 pressure 1 . atm 25878 1 temperature 298.2 . K 25878 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25878 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25878 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25878 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 25878 _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 25878 _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 25878 _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 25878 _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 . . . 25878 1 2 spectrometer_2 Bruker Avance . 700 . . . 25878 1 3 spectrometer_3 Bruker Avance . 800 . . . 25878 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 25878 _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 . . . . . . . . . . . . . . . . . . . . . 25878 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25878 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25878 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25878 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25878 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25878 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25878 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 25878 _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 acetate 'methyl carbon' . . . . ppm 54 internal direct 1 . . . . . 25878 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 25878 1 N 15 '[15N] ammonium sulfate' nitrogen . . . . ppm 118 internal direct 1 . . . . . 25878 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 25878 _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 25878 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 25878 1 3 '3D HNCO' 1 $sample_1 isotropic 25878 1 4 '3D HNCA' 1 $sample_1 isotropic 25878 1 5 '3D HNCACB' 1 $sample_1 isotropic 25878 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25878 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 25878 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 MET C C 13 176.038 0.000 . . . . . . 1 MET C . 25878 1 2 . 1 1 1 1 MET CA C 13 55.735 0.000 . . . . . . 1 MET CA . 25878 1 3 . 1 1 1 1 MET CB C 13 38.174 0.000 . . . . . . 1 MET CB . 25878 1 4 . 1 1 2 2 VAL H H 1 8.244 0.000 . . . . . . 2 VAL HN . 25878 1 5 . 1 1 2 2 VAL HA H 1 4.12 0.000 . . . . . . 2 VAL HA . 25878 1 6 . 1 1 2 2 VAL HB H 1 2.024 0.000 . . . . . . 2 VAL HB . 25878 1 7 . 1 1 2 2 VAL HG11 H 1 0.882 0.000 . . . . . . 2 VAL QQG . 25878 1 8 . 1 1 2 2 VAL HG12 H 1 0.882 0.000 . . . . . . 2 VAL QQG . 25878 1 9 . 1 1 2 2 VAL HG13 H 1 0.882 0.000 . . . . . . 2 VAL QQG . 25878 1 10 . 1 1 2 2 VAL HG21 H 1 0.882 0.000 . . . . . . 2 VAL QQG . 25878 1 11 . 1 1 2 2 VAL HG22 H 1 0.882 0.000 . . . . . . 2 VAL QQG . 25878 1 12 . 1 1 2 2 VAL HG23 H 1 0.882 0.000 . . . . . . 2 VAL QQG . 25878 1 13 . 1 1 2 2 VAL C C 13 175.334 0.000 . . . . . . 2 VAL C . 25878 1 14 . 1 1 2 2 VAL CA C 13 62.145 0.000 . . . . . . 2 VAL CA . 25878 1 15 . 1 1 2 2 VAL CB C 13 33.02 0.000 . . . . . . 2 VAL CB . 25878 1 16 . 1 1 2 2 VAL N N 15 122.234 0.000 . . . . . . 2 VAL N . 25878 1 17 . 1 1 3 3 ALA H H 1 8.576 0.000 . . . . . . 3 ALA HN . 25878 1 18 . 1 1 3 3 ALA HA H 1 4.308 0.000 . . . . . . 3 ALA HA . 25878 1 19 . 1 1 3 3 ALA HB1 H 1 1.367 0.000 . . . . . . 3 ALA QB . 25878 1 20 . 1 1 3 3 ALA HB2 H 1 1.367 0.000 . . . . . . 3 ALA QB . 25878 1 21 . 1 1 3 3 ALA HB3 H 1 1.367 0.000 . . . . . . 3 ALA QB . 25878 1 22 . 1 1 3 3 ALA C C 13 177.915 0.000 . . . . . . 3 ALA C . 25878 1 23 . 1 1 3 3 ALA CA C 13 52.553 0.000 . . . . . . 3 ALA CA . 25878 1 24 . 1 1 3 3 ALA CB C 13 19.658 0.000 . . . . . . 3 ALA CB . 25878 1 25 . 1 1 3 3 ALA N N 15 128.321 0.000 . . . . . . 3 ALA N . 25878 1 26 . 1 1 4 4 MET H H 1 8.369 0.000 . . . . . . 4 MET HN . 25878 1 27 . 1 1 4 4 MET HA H 1 4.12 0.000 . . . . . . 4 MET HA . 25878 1 28 . 1 1 4 4 MET HB2 H 1 1.992 0.000 . . . . . . 4 MET QB . 25878 1 29 . 1 1 4 4 MET HB3 H 1 1.992 0.000 . . . . . . 4 MET QB . 25878 1 30 . 1 1 4 4 MET HG2 H 1 2.54 0.000 . . . . . . 4 MET QG . 25878 1 31 . 1 1 4 4 MET HG3 H 1 2.54 0.000 . . . . . . 4 MET QG . 25878 1 32 . 1 1 4 4 MET C C 13 176.608 0.000 . . . . . . 4 MET C . 25878 1 33 . 1 1 4 4 MET CA C 13 57.052 0.000 . . . . . . 4 MET CA . 25878 1 34 . 1 1 4 4 MET CB C 13 32.574 0.000 . . . . . . 4 MET CB . 25878 1 35 . 1 1 4 4 MET N N 15 118.812 0.000 . . . . . . 4 MET N . 25878 1 36 . 1 1 5 5 ASP H H 1 8.082 0.000 . . . . . . 5 ASP HN . 25878 1 37 . 1 1 5 5 ASP HA H 1 4.511 0.000 . . . . . . 5 ASP HA . 25878 1 38 . 1 1 5 5 ASP HB2 H 1 2.618 0.000 . . . . . . 5 ASP HB2 . 25878 1 39 . 1 1 5 5 ASP HB3 H 1 2.561 0.000 . . . . . . 5 ASP HB3 . 25878 1 40 . 1 1 5 5 ASP C C 13 176.138 0.000 . . . . . . 5 ASP C . 25878 1 41 . 1 1 5 5 ASP CA C 13 55.158 0.000 . . . . . . 5 ASP CA . 25878 1 42 . 1 1 5 5 ASP CB C 13 40.719 0.000 . . . . . . 5 ASP CB . 25878 1 43 . 1 1 5 5 ASP N N 15 117.281 0.000 . . . . . . 5 ASP N . 25878 1 44 . 1 1 6 6 ASP H H 1 7.942 0.000 . . . . . . 6 ASP HN . 25878 1 45 . 1 1 6 6 ASP HA H 1 4.62 0.000 . . . . . . 6 ASP HA . 25878 1 46 . 1 1 6 6 ASP HB2 H 1 2.743 0.000 . . . . . . 6 ASP HB2 . 25878 1 47 . 1 1 6 6 ASP HB3 H 1 2.571 0.000 . . . . . . 6 ASP HB3 . 25878 1 48 . 1 1 6 6 ASP C C 13 176.138 0.000 . . . . . . 6 ASP C . 25878 1 49 . 1 1 6 6 ASP CA C 13 54.844 0.000 . . . . . . 6 ASP CA . 25878 1 50 . 1 1 6 6 ASP CB C 13 41.546 0.000 . . . . . . 6 ASP CB . 25878 1 51 . 1 1 6 6 ASP N N 15 118.313 0.000 . . . . . . 6 ASP N . 25878 1 52 . 1 1 7 7 LEU H H 1 7.59 0.000 . . . . . . 7 LEU HN . 25878 1 53 . 1 1 7 7 LEU HA H 1 4.448 0.000 . . . . . . 7 LEU HA . 25878 1 54 . 1 1 7 7 LEU HB2 H 1 1.711 0.000 . . . . . . 7 LEU HB2 . 25878 1 55 . 1 1 7 7 LEU HB3 H 1 1.617 0.000 . . . . . . 7 LEU HB3 . 25878 1 56 . 1 1 7 7 LEU HD11 H 1 0.848 0.000 . . . . . . 7 LEU QD1 . 25878 1 57 . 1 1 7 7 LEU HD12 H 1 0.848 0.000 . . . . . . 7 LEU QD1 . 25878 1 58 . 1 1 7 7 LEU HD13 H 1 0.848 0.000 . . . . . . 7 LEU QD1 . 25878 1 59 . 1 1 7 7 LEU HD21 H 1 0.686 0.000 . . . . . . 7 LEU QD2 . 25878 1 60 . 1 1 7 7 LEU HD22 H 1 0.686 0.000 . . . . . . 7 LEU QD2 . 25878 1 61 . 1 1 7 7 LEU HD23 H 1 0.686 0.000 . . . . . . 7 LEU QD2 . 25878 1 62 . 1 1 7 7 LEU HG H 1 1.398 0.000 . . . . . . 7 LEU HG . 25878 1 63 . 1 1 7 7 LEU C C 13 176.351 0.000 . . . . . . 7 LEU C . 25878 1 64 . 1 1 7 7 LEU CA C 13 54.208 0.000 . . . . . . 7 LEU CA . 25878 1 65 . 1 1 7 7 LEU CB C 13 43.2 0.000 . . . . . . 7 LEU CB . 25878 1 66 . 1 1 7 7 LEU N N 15 120.411 0.000 . . . . . . 7 LEU N . 25878 1 67 . 1 1 8 8 ASP H H 1 8.663 0.000 . . . . . . 8 ASP HN . 25878 1 68 . 1 1 8 8 ASP HA H 1 4.699 0.000 . . . . . . 8 ASP HA . 25878 1 69 . 1 1 8 8 ASP HB2 H 1 3.009 0.000 . . . . . . 8 ASP HB2 . 25878 1 70 . 1 1 8 8 ASP HB3 H 1 2.713 0.000 . . . . . . 8 ASP HB3 . 25878 1 71 . 1 1 8 8 ASP C C 13 177.032 0.000 . . . . . . 8 ASP C . 25878 1 72 . 1 1 8 8 ASP CA C 13 53.19 0.000 . . . . . . 8 ASP CA . 25878 1 73 . 1 1 8 8 ASP CB C 13 42.182 0.000 . . . . . . 8 ASP CB . 25878 1 74 . 1 1 8 8 ASP N N 15 121.064 0.000 . . . . . . 8 ASP N . 25878 1 75 . 1 1 9 9 LYS H H 1 8.568 0.000 . . . . . . 9 LYS HN . 25878 1 76 . 1 1 9 9 LYS HA H 1 4.026 0.000 . . . . . . 9 LYS HA . 25878 1 77 . 1 1 9 9 LYS HB2 H 1 1.899 0.000 . . . . . . 9 LYS QB . 25878 1 78 . 1 1 9 9 LYS HB3 H 1 1.899 0.000 . . . . . . 9 LYS QB . 25878 1 79 . 1 1 9 9 LYS HD2 H 1 1.702 0.000 . . . . . . 9 LYS QD . 25878 1 80 . 1 1 9 9 LYS HD3 H 1 1.702 0.000 . . . . . . 9 LYS QD . 25878 1 81 . 1 1 9 9 LYS HG2 H 1 1.527 0.000 . . . . . . 9 LYS QG . 25878 1 82 . 1 1 9 9 LYS HG3 H 1 1.527 0.000 . . . . . . 9 LYS QG . 25878 1 83 . 1 1 9 9 LYS C C 13 179.155 0.000 . . . . . . 9 LYS C . 25878 1 84 . 1 1 9 9 LYS CA C 13 59.716 0.000 . . . . . . 9 LYS CA . 25878 1 85 . 1 1 9 9 LYS CB C 13 32.129 0.000 . . . . . . 9 LYS CB . 25878 1 86 . 1 1 9 9 LYS N N 15 119.362 0.000 . . . . . . 9 LYS N . 25878 1 87 . 1 1 10 10 ASP H H 1 8.509 0.000 . . . . . . 10 ASP HN . 25878 1 88 . 1 1 10 10 ASP HA H 1 4.558 0.000 . . . . . . 10 ASP HA . 25878 1 89 . 1 1 10 10 ASP HB2 H 1 2.79 0.000 . . . . . . 10 ASP HB2 . 25878 1 90 . 1 1 10 10 ASP HB3 H 1 2.689 0.000 . . . . . . 10 ASP HB3 . 25878 1 91 . 1 1 10 10 ASP C C 13 179.077 0.000 . . . . . . 10 ASP C . 25878 1 92 . 1 1 10 10 ASP CA C 13 57.198 0.000 . . . . . . 10 ASP CA . 25878 1 93 . 1 1 10 10 ASP CB C 13 40.146 0.000 . . . . . . 10 ASP CB . 25878 1 94 . 1 1 10 10 ASP N N 15 121.099 0.000 . . . . . . 10 ASP N . 25878 1 95 . 1 1 11 11 GLN H H 1 8.32 0.000 . . . . . . 11 GLN HN . 25878 1 96 . 1 1 11 11 GLN HA H 1 4.135 0.000 . . . . . . 11 GLN HA . 25878 1 97 . 1 1 11 11 GLN HB2 H 1 2.656 0.000 . . . . . . 11 GLN HB2 . 25878 1 98 . 1 1 11 11 GLN HB3 H 1 2.43 0.000 . . . . . . 11 GLN HB3 . 25878 1 99 . 1 1 11 11 GLN C C 13 178.63 0.000 . . . . . . 11 GLN C . 25878 1 100 . 1 1 11 11 GLN CA C 13 58.98 0.000 . . . . . . 11 GLN CA . 25878 1 101 . 1 1 11 11 GLN CB C 13 29.52 0.000 . . . . . . 11 GLN CB . 25878 1 102 . 1 1 11 11 GLN N N 15 122.44 0.000 . . . . . . 11 GLN N . 25878 1 103 . 1 1 12 12 ILE H H 1 8.238 0.001 . . . . . . 12 ILE HN . 25878 1 104 . 1 1 12 12 ILE HA H 1 3.713 0.000 . . . . . . 12 ILE HA . 25878 1 105 . 1 1 12 12 ILE HB H 1 1.935 0.000 . . . . . . 12 ILE HB . 25878 1 106 . 1 1 12 12 ILE HD11 H 1 0.692 0.000 . . . . . . 12 ILE QD1 . 25878 1 107 . 1 1 12 12 ILE HD12 H 1 0.692 0.000 . . . . . . 12 ILE QD1 . 25878 1 108 . 1 1 12 12 ILE HD13 H 1 0.692 0.000 . . . . . . 12 ILE QD1 . 25878 1 109 . 1 1 12 12 ILE HG12 H 1 1.393 0.000 . . . . . . 12 ILE HG12 . 25878 1 110 . 1 1 12 12 ILE HG13 H 1 1.133 0.000 . . . . . . 12 ILE HG13 . 25878 1 111 . 1 1 12 12 ILE HG21 H 1 0.853 0.000 . . . . . . 12 ILE QG2 . 25878 1 112 . 1 1 12 12 ILE HG22 H 1 0.853 0.000 . . . . . . 12 ILE QG2 . 25878 1 113 . 1 1 12 12 ILE HG23 H 1 0.853 0.000 . . . . . . 12 ILE QG2 . 25878 1 114 . 1 1 12 12 ILE C C 13 177.502 0.000 . . . . . . 12 ILE C . 25878 1 115 . 1 1 12 12 ILE CA C 13 64.833 0.000 . . . . . . 12 ILE CA . 25878 1 116 . 1 1 12 12 ILE CB C 13 37.219 0.000 . . . . . . 12 ILE CB . 25878 1 117 . 1 1 12 12 ILE N N 15 119.035 0.000 . . . . . . 12 ILE N . 25878 1 118 . 1 1 13 13 ALA H H 1 7.877 0.000 . . . . . . 13 ALA HN . 25878 1 119 . 1 1 13 13 ALA HA H 1 4.198 0.000 . . . . . . 13 ALA HA . 25878 1 120 . 1 1 13 13 ALA HB1 H 1 1.57 0.000 . . . . . . 13 ALA QB . 25878 1 121 . 1 1 13 13 ALA HB2 H 1 1.57 0.000 . . . . . . 13 ALA QB . 25878 1 122 . 1 1 13 13 ALA HB3 H 1 1.57 0.000 . . . . . . 13 ALA QB . 25878 1 123 . 1 1 13 13 ALA C C 13 180.652 0.000 . . . . . . 13 ALA C . 25878 1 124 . 1 1 13 13 ALA CA C 13 55.416 0.000 . . . . . . 13 ALA CA . 25878 1 125 . 1 1 13 13 ALA CB C 13 18.195 0.000 . . . . . . 13 ALA CB . 25878 1 126 . 1 1 13 13 ALA N N 15 121.285 0.006 . . . . . . 13 ALA N . 25878 1 127 . 1 1 14 14 LEU H H 1 7.752 0.000 . . . . . . 14 LEU HN . 25878 1 128 . 1 1 14 14 LEU HA H 1 4.151 0.000 . . . . . . 14 LEU HA . 25878 1 129 . 1 1 14 14 LEU HB2 H 1 1.914 0.000 . . . . . . 14 LEU QB . 25878 1 130 . 1 1 14 14 LEU HB3 H 1 1.914 0.000 . . . . . . 14 LEU QB . 25878 1 131 . 1 1 14 14 LEU HD11 H 1 0.985 0.000 . . . . . . 14 LEU QQD . 25878 1 132 . 1 1 14 14 LEU HD12 H 1 0.985 0.000 . . . . . . 14 LEU QQD . 25878 1 133 . 1 1 14 14 LEU HD13 H 1 0.985 0.000 . . . . . . 14 LEU QQD . 25878 1 134 . 1 1 14 14 LEU HD21 H 1 0.985 0.000 . . . . . . 14 LEU QQD . 25878 1 135 . 1 1 14 14 LEU HD22 H 1 0.985 0.000 . . . . . . 14 LEU QQD . 25878 1 136 . 1 1 14 14 LEU HD23 H 1 0.985 0.000 . . . . . . 14 LEU QQD . 25878 1 137 . 1 1 14 14 LEU HG H 1 1.75 0.000 . . . . . . 14 LEU HG . 25878 1 138 . 1 1 14 14 LEU C C 13 179.49 0.000 . . . . . . 14 LEU C . 25878 1 139 . 1 1 14 14 LEU CA C 13 58.534 0.000 . . . . . . 14 LEU CA . 25878 1 140 . 1 1 14 14 LEU CB C 13 41.991 0.000 . . . . . . 14 LEU CB . 25878 1 141 . 1 1 14 14 LEU N N 15 120.325 0.000 . . . . . . 14 LEU N . 25878 1 142 . 1 1 15 15 LEU H H 1 8.27 0.000 . . . . . . 15 LEU HN . 25878 1 143 . 1 1 15 15 LEU HA H 1 4.292 0.000 . . . . . . 15 LEU HA . 25878 1 144 . 1 1 15 15 LEU HB2 H 1 2.321 0.000 . . . . . . 15 LEU QB . 25878 1 145 . 1 1 15 15 LEU HB3 H 1 2.321 0.000 . . . . . . 15 LEU QB . 25878 1 146 . 1 1 15 15 LEU HD11 H 1 0.726 0.000 . . . . . . 15 LEU QQD . 25878 1 147 . 1 1 15 15 LEU HD12 H 1 0.726 0.000 . . . . . . 15 LEU QQD . 25878 1 148 . 1 1 15 15 LEU HD13 H 1 0.726 0.000 . . . . . . 15 LEU QQD . 25878 1 149 . 1 1 15 15 LEU HD21 H 1 0.726 0.000 . . . . . . 15 LEU QQD . 25878 1 150 . 1 1 15 15 LEU HD22 H 1 0.726 0.000 . . . . . . 15 LEU QQD . 25878 1 151 . 1 1 15 15 LEU HD23 H 1 0.726 0.000 . . . . . . 15 LEU QQD . 25878 1 152 . 1 1 15 15 LEU HG H 1 2.032 0.000 . . . . . . 15 LEU HG . 25878 1 153 . 1 1 15 15 LEU C C 13 179.144 0.000 . . . . . . 15 LEU C . 25878 1 154 . 1 1 15 15 LEU CA C 13 58.152 0.000 . . . . . . 15 LEU CA . 25878 1 155 . 1 1 15 15 LEU CB C 13 41.546 0.000 . . . . . . 15 LEU CB . 25878 1 156 . 1 1 15 15 LEU N N 15 119.723 0.000 . . . . . . 15 LEU N . 25878 1 157 . 1 1 16 16 LYS H H 1 9.075 0.000 . . . . . . 16 LYS HN . 25878 1 158 . 1 1 16 16 LYS HA H 1 3.995 0.000 . . . . . . 16 LYS HA . 25878 1 159 . 1 1 16 16 LYS HB2 H 1 1.93 0.000 . . . . . . 16 LYS QB . 25878 1 160 . 1 1 16 16 LYS HB3 H 1 1.93 0.000 . . . . . . 16 LYS QB . 25878 1 161 . 1 1 16 16 LYS HD2 H 1 1.75 0.000 . . . . . . 16 LYS QD . 25878 1 162 . 1 1 16 16 LYS HD3 H 1 1.75 0.000 . . . . . . 16 LYS QD . 25878 1 163 . 1 1 16 16 LYS HG2 H 1 1.557 0.000 . . . . . . 16 LYS QG . 25878 1 164 . 1 1 16 16 LYS HG3 H 1 1.557 0.000 . . . . . . 16 LYS QG . 25878 1 165 . 1 1 16 16 LYS C C 13 178.172 0.000 . . . . . . 16 LYS C . 25878 1 166 . 1 1 16 16 LYS CA C 13 60.061 0.000 . . . . . . 16 LYS CA . 25878 1 167 . 1 1 16 16 LYS CB C 13 32.32 0.000 . . . . . . 16 LYS CB . 25878 1 168 . 1 1 16 16 LYS N N 15 121.322 0.000 . . . . . . 16 LYS N . 25878 1 169 . 1 1 17 17 ARG H H 1 7.975 0.002 . . . . . . 17 ARG HN . 25878 1 170 . 1 1 17 17 ARG HA H 1 4.151 0.000 . . . . . . 17 ARG HA . 25878 1 171 . 1 1 17 17 ARG HB2 H 1 2.055 0.000 . . . . . . 17 ARG QB . 25878 1 172 . 1 1 17 17 ARG HB3 H 1 2.055 0.000 . . . . . . 17 ARG QB . 25878 1 173 . 1 1 17 17 ARG HD2 H 1 3.25 0.000 . . . . . . 17 ARG QD . 25878 1 174 . 1 1 17 17 ARG HD3 H 1 3.25 0.000 . . . . . . 17 ARG QD . 25878 1 175 . 1 1 17 17 ARG HG2 H 1 1.706 0.000 . . . . . . 17 ARG QG . 25878 1 176 . 1 1 17 17 ARG HG3 H 1 1.706 0.000 . . . . . . 17 ARG QG . 25878 1 177 . 1 1 17 17 ARG C C 13 179.624 0.000 . . . . . . 17 ARG C . 25878 1 178 . 1 1 17 17 ARG CA C 13 59.425 0.000 . . . . . . 17 ARG CA . 25878 1 179 . 1 1 17 17 ARG CB C 13 30.411 0.000 . . . . . . 17 ARG CB . 25878 1 180 . 1 1 17 17 ARG N N 15 118.468 0.000 . . . . . . 17 ARG N . 25878 1 181 . 1 1 18 18 ALA H H 1 8.222 0.000 . . . . . . 18 ALA HN . 25878 1 182 . 1 1 18 18 ALA HA H 1 4.23 0.000 . . . . . . 18 ALA HA . 25878 1 183 . 1 1 18 18 ALA HB1 H 1 1.678 0.000 . . . . . . 18 ALA QB . 25878 1 184 . 1 1 18 18 ALA HB2 H 1 1.678 0.000 . . . . . . 18 ALA QB . 25878 1 185 . 1 1 18 18 ALA HB3 H 1 1.678 0.000 . . . . . . 18 ALA QB . 25878 1 186 . 1 1 18 18 ALA C C 13 178.116 0.000 . . . . . . 18 ALA C . 25878 1 187 . 1 1 18 18 ALA CA C 13 55.226 0.000 . . . . . . 18 ALA CA . 25878 1 188 . 1 1 18 18 ALA CB C 13 18.386 0.000 . . . . . . 18 ALA CB . 25878 1 189 . 1 1 18 18 ALA N N 15 121.924 0.000 . . . . . . 18 ALA N . 25878 1 190 . 1 1 19 19 PHE H H 1 8.837 0.000 . . . . . . 19 PHE HN . 25878 1 191 . 1 1 19 19 PHE HA H 1 3.604 0.000 . . . . . . 19 PHE HA . 25878 1 192 . 1 1 19 19 PHE HB2 H 1 3.365 0.000 . . . . . . 19 PHE HB2 . 25878 1 193 . 1 1 19 19 PHE HB3 H 1 3.19 0.000 . . . . . . 19 PHE HB3 . 25878 1 194 . 1 1 19 19 PHE HD1 H 1 6.754 0.000 . . . . . . 19 PHE QD . 25878 1 195 . 1 1 19 19 PHE HD2 H 1 6.754 0.000 . . . . . . 19 PHE QD . 25878 1 196 . 1 1 19 19 PHE HE1 H 1 7.393 0.000 . . . . . . 19 PHE QE . 25878 1 197 . 1 1 19 19 PHE HE2 H 1 7.393 0.000 . . . . . . 19 PHE QE . 25878 1 198 . 1 1 19 19 PHE HZ H 1 7.125 0.000 . . . . . . 19 PHE HZ . 25878 1 199 . 1 1 19 19 PHE C C 13 177.356 0.000 . . . . . . 19 PHE C . 25878 1 200 . 1 1 19 19 PHE CA C 13 62.161 0.000 . . . . . . 19 PHE CA . 25878 1 201 . 1 1 19 19 PHE CB C 13 40.146 0.000 . . . . . . 19 PHE CB . 25878 1 202 . 1 1 19 19 PHE N N 15 117.505 0.000 . . . . . . 19 PHE N . 25878 1 203 . 1 1 20 20 GLU H H 1 8.786 0.000 . . . . . . 20 GLU HN . 25878 1 204 . 1 1 20 20 GLU HA H 1 3.885 0.000 . . . . . . 20 GLU HA . 25878 1 205 . 1 1 20 20 GLU HB2 H 1 2.136 0.000 . . . . . . 20 GLU HB2 . 25878 1 206 . 1 1 20 20 GLU HB3 H 1 2.003 0.000 . . . . . . 20 GLU HB3 . 25878 1 207 . 1 1 20 20 GLU HG2 H 1 2.314 0.000 . . . . . . 20 GLU QG . 25878 1 208 . 1 1 20 20 GLU HG3 H 1 2.314 0.000 . . . . . . 20 GLU QG . 25878 1 209 . 1 1 20 20 GLU C C 13 179.334 0.000 . . . . . . 20 GLU C . 25878 1 210 . 1 1 20 20 GLU CA C 13 59.361 0.000 . . . . . . 20 GLU CA . 25878 1 211 . 1 1 20 20 GLU CB C 13 29.393 0.000 . . . . . . 20 GLU CB . 25878 1 212 . 1 1 20 20 GLU N N 15 116.783 0.000 . . . . . . 20 GLU N . 25878 1 213 . 1 1 21 21 ALA H H 1 7.784 0.000 . . . . . . 21 ALA HN . 25878 1 214 . 1 1 21 21 ALA HA H 1 3.995 0.000 . . . . . . 21 ALA HA . 25878 1 215 . 1 1 21 21 ALA HB1 H 1 1.32 0.000 . . . . . . 21 ALA QB . 25878 1 216 . 1 1 21 21 ALA HB2 H 1 1.32 0.000 . . . . . . 21 ALA QB . 25878 1 217 . 1 1 21 21 ALA HB3 H 1 1.32 0.000 . . . . . . 21 ALA QB . 25878 1 218 . 1 1 21 21 ALA C C 13 178.831 0.000 . . . . . . 21 ALA C . 25878 1 219 . 1 1 21 21 ALA CA C 13 54.78 0.000 . . . . . . 21 ALA CA . 25878 1 220 . 1 1 21 21 ALA CB C 13 17.877 0.000 . . . . . . 21 ALA CB . 25878 1 221 . 1 1 21 21 ALA N N 15 121.271 0.000 . . . . . . 21 ALA N . 25878 1 222 . 1 1 22 22 PHE H H 1 7.344 0.000 . . . . . . 22 PHE HN . 25878 1 223 . 1 1 22 22 PHE HA H 1 4.354 0.000 . . . . . . 22 PHE HA . 25878 1 224 . 1 1 22 22 PHE HB2 H 1 3.197 0.000 . . . . . . 22 PHE HB2 . 25878 1 225 . 1 1 22 22 PHE HB3 H 1 2.556 0.000 . . . . . . 22 PHE HB3 . 25878 1 226 . 1 1 22 22 PHE C C 13 176.731 0.000 . . . . . . 22 PHE C . 25878 1 227 . 1 1 22 22 PHE CA C 13 59.616 0.000 . . . . . . 22 PHE CA . 25878 1 228 . 1 1 22 22 PHE CB C 13 40.528 0.000 . . . . . . 22 PHE CB . 25878 1 229 . 1 1 22 22 PHE N N 15 114.326 0.000 . . . . . . 22 PHE N . 25878 1 230 . 1 1 23 23 ALA H H 1 8.628 0.000 . . . . . . 23 ALA HN . 25878 1 231 . 1 1 23 23 ALA HA H 1 3.713 0.000 . . . . . . 23 ALA HA . 25878 1 232 . 1 1 23 23 ALA HB1 H 1 0.585 0.000 . . . . . . 23 ALA QB . 25878 1 233 . 1 1 23 23 ALA HB2 H 1 0.585 0.000 . . . . . . 23 ALA QB . 25878 1 234 . 1 1 23 23 ALA HB3 H 1 0.585 0.000 . . . . . . 23 ALA QB . 25878 1 235 . 1 1 23 23 ALA C C 13 179.055 0.000 . . . . . . 23 ALA C . 25878 1 236 . 1 1 23 23 ALA CA C 13 54.208 0.000 . . . . . . 23 ALA CA . 25878 1 237 . 1 1 23 23 ALA CB C 13 18.704 0.000 . . . . . . 23 ALA CB . 25878 1 238 . 1 1 23 23 ALA N N 15 123.317 0.000 . . . . . . 23 ALA N . 25878 1 239 . 1 1 24 24 GLN H H 1 7.963 0.000 . . . . . . 24 GLN HN . 25878 1 240 . 1 1 24 24 GLN HA H 1 3.744 0.000 . . . . . . 24 GLN HA . 25878 1 241 . 1 1 24 24 GLN HB2 H 1 2.17 0.000 . . . . . . 24 GLN HB2 . 25878 1 242 . 1 1 24 24 GLN HB3 H 1 2.042 0.000 . . . . . . 24 GLN HB3 . 25878 1 243 . 1 1 24 24 GLN C C 13 176.585 0.000 . . . . . . 24 GLN C . 25878 1 244 . 1 1 24 24 GLN CA C 13 57.325 0.000 . . . . . . 24 GLN CA . 25878 1 245 . 1 1 24 24 GLN CB C 13 26.53 0.000 . . . . . . 24 GLN CB . 25878 1 246 . 1 1 24 24 GLN N N 15 113.302 0.000 . . . . . . 24 GLN N . 25878 1 247 . 1 1 25 25 GLU H H 1 9.068 0.000 . . . . . . 25 GLU HN . 25878 1 248 . 1 1 25 25 GLU HA H 1 4.182 0.000 . . . . . . 25 GLU HA . 25878 1 249 . 1 1 25 25 GLU HB2 H 1 2.133 0.000 . . . . . . 25 GLU QB . 25878 1 250 . 1 1 25 25 GLU HB3 H 1 2.133 0.000 . . . . . . 25 GLU QB . 25878 1 251 . 1 1 25 25 GLU C C 13 175.513 0.000 . . . . . . 25 GLU C . 25878 1 252 . 1 1 25 25 GLU CA C 13 57.58 0.000 . . . . . . 25 GLU CA . 25878 1 253 . 1 1 25 25 GLU CB C 13 28.248 0.000 . . . . . . 25 GLU CB . 25878 1 254 . 1 1 25 25 GLU N N 15 119.758 0.000 . . . . . . 25 GLU N . 25878 1 255 . 1 1 26 26 LYS H H 1 7.899 0.000 . . . . . . 26 LYS HN . 25878 1 256 . 1 1 26 26 LYS HA H 1 4.354 0.000 . . . . . . 26 LYS HA . 25878 1 257 . 1 1 26 26 LYS HB2 H 1 1.789 0.000 . . . . . . 26 LYS QB . 25878 1 258 . 1 1 26 26 LYS HB3 H 1 1.789 0.000 . . . . . . 26 LYS QB . 25878 1 259 . 1 1 26 26 LYS HG2 H 1 1.324 0.000 . . . . . . 26 LYS QG . 25878 1 260 . 1 1 26 26 LYS HG3 H 1 1.324 0.000 . . . . . . 26 LYS QG . 25878 1 261 . 1 1 26 26 LYS C C 13 175.758 0.000 . . . . . . 26 LYS C . 25878 1 262 . 1 1 26 26 LYS CA C 13 55.735 0.000 . . . . . . 26 LYS CA . 25878 1 263 . 1 1 26 26 LYS CB C 13 33.338 0.000 . . . . . . 26 LYS CB . 25878 1 264 . 1 1 26 26 LYS N N 15 119.551 0.000 . . . . . . 26 LYS N . 25878 1 265 . 1 1 27 27 SER H H 1 8.293 0.000 . . . . . . 27 SER HN . 25878 1 266 . 1 1 27 27 SER HA H 1 4.605 0.000 . . . . . . 27 SER HA . 25878 1 267 . 1 1 27 27 SER HB2 H 1 4.026 0.000 . . . . . . 27 SER QB . 25878 1 268 . 1 1 27 27 SER HB3 H 1 4.026 0.000 . . . . . . 27 SER QB . 25878 1 269 . 1 1 27 27 SER C C 13 172.887 0.000 . . . . . . 27 SER C . 25878 1 270 . 1 1 27 27 SER CA C 13 58.343 0.000 . . . . . . 27 SER CA . 25878 1 271 . 1 1 27 27 SER CB C 13 63.879 0.000 . . . . . . 27 SER CB . 25878 1 272 . 1 1 27 27 SER N N 15 110.856 0.000 . . . . . . 27 SER N . 25878 1 273 . 1 1 28 28 TYR H H 1 6.835 0.000 . . . . . . 28 TYR HN . 25878 1 274 . 1 1 28 28 TYR HA H 1 5.566 0.000 . . . . . . 28 TYR HA . 25878 1 275 . 1 1 28 28 TYR HB2 H 1 2.923 0.000 . . . . . . 28 TYR HB2 . 25878 1 276 . 1 1 28 28 TYR HB3 H 1 2.656 0.000 . . . . . . 28 TYR HB3 . 25878 1 277 . 1 1 28 28 TYR C C 13 172.753 0.000 . . . . . . 28 TYR C . 25878 1 278 . 1 1 28 28 TYR CA C 13 55.388 0.000 . . . . . . 28 TYR CA . 25878 1 279 . 1 1 28 28 TYR CB C 13 41.164 0.000 . . . . . . 28 TYR CB . 25878 1 280 . 1 1 28 28 TYR N N 15 115.313 0.000 . . . . . . 28 TYR N . 25878 1 281 . 1 1 29 29 ILE H H 1 8.312 0.000 . . . . . . 29 ILE HN . 25878 1 282 . 1 1 29 29 ILE HA H 1 4.495 0.000 . . . . . . 29 ILE HA . 25878 1 283 . 1 1 29 29 ILE HB H 1 1.661 0.000 . . . . . . 29 ILE HB . 25878 1 284 . 1 1 29 29 ILE HD11 H 1 0.34 0.000 . . . . . . 29 ILE QD1 . 25878 1 285 . 1 1 29 29 ILE HD12 H 1 0.34 0.000 . . . . . . 29 ILE QD1 . 25878 1 286 . 1 1 29 29 ILE HD13 H 1 0.34 0.000 . . . . . . 29 ILE QD1 . 25878 1 287 . 1 1 29 29 ILE HG21 H 1 0.919 0.000 . . . . . . 29 ILE QG2 . 25878 1 288 . 1 1 29 29 ILE HG22 H 1 0.919 0.000 . . . . . . 29 ILE QG2 . 25878 1 289 . 1 1 29 29 ILE HG23 H 1 0.919 0.000 . . . . . . 29 ILE QG2 . 25878 1 290 . 1 1 29 29 ILE CA C 13 58.789 0.000 . . . . . . 29 ILE CA . 25878 1 291 . 1 1 29 29 ILE CB C 13 41.419 0.000 . . . . . . 29 ILE CB . 25878 1 292 . 1 1 29 29 ILE N N 15 111.832 0.000 . . . . . . 29 ILE N . 25878 1 293 . 1 1 30 30 GLU H H 1 8.361 0.000 . . . . . . 30 GLU HN . 25878 1 294 . 1 1 30 30 GLU HA H 1 4.616 0.000 . . . . . . 30 GLU HA . 25878 1 295 . 1 1 30 30 GLU HB2 H 1 1.914 0.000 . . . . . . 30 GLU HB2 . 25878 1 296 . 1 1 30 30 GLU HB3 H 1 1.602 0.000 . . . . . . 30 GLU HB3 . 25878 1 297 . 1 1 30 30 GLU HG2 H 1 2.493 0.000 . . . . . . 30 GLU HG2 . 25878 1 298 . 1 1 30 30 GLU HG3 H 1 2.389 0.000 . . . . . . 30 GLU HG3 . 25878 1 299 . 1 1 30 30 GLU C C 13 178.161 0.000 . . . . . . 30 GLU C . 25878 1 300 . 1 1 30 30 GLU CA C 13 56.116 0.000 . . . . . . 30 GLU CA . 25878 1 301 . 1 1 30 30 GLU CB C 13 30.92 0.000 . . . . . . 30 GLU CB . 25878 1 302 . 1 1 30 30 GLU N N 15 124.039 0.000 . . . . . . 30 GLU N . 25878 1 303 . 1 1 31 31 ALA H H 1 9.01 0.000 . . . . . . 31 ALA HN . 25878 1 304 . 1 1 31 31 ALA HA H 1 3.859 0.000 . . . . . . 31 ALA HA . 25878 1 305 . 1 1 31 31 ALA HB1 H 1 1.453 0.000 . . . . . . 31 ALA QB . 25878 1 306 . 1 1 31 31 ALA HB2 H 1 1.453 0.000 . . . . . . 31 ALA QB . 25878 1 307 . 1 1 31 31 ALA HB3 H 1 1.453 0.000 . . . . . . 31 ALA QB . 25878 1 308 . 1 1 31 31 ALA C C 13 179.222 0.000 . . . . . . 31 ALA C . 25878 1 309 . 1 1 31 31 ALA CA C 13 55.989 0.000 . . . . . . 31 ALA CA . 25878 1 310 . 1 1 31 31 ALA CB C 13 18.322 0.000 . . . . . . 31 ALA CB . 25878 1 311 . 1 1 31 31 ALA N N 15 124.847 0.000 . . . . . . 31 ALA N . 25878 1 312 . 1 1 32 32 ASN H H 1 8.565 0.001 . . . . . . 32 ASN HN . 25878 1 313 . 1 1 32 32 ASN HA H 1 4.464 0.000 . . . . . . 32 ASN HA . 25878 1 314 . 1 1 32 32 ASN HB2 H 1 2.97 0.000 . . . . . . 32 ASN HB2 . 25878 1 315 . 1 1 32 32 ASN HB3 H 1 2.8 0.000 . . . . . . 32 ASN HB3 . 25878 1 316 . 1 1 32 32 ASN C C 13 176.954 0.000 . . . . . . 32 ASN C . 25878 1 317 . 1 1 32 32 ASN CA C 13 55.162 0.000 . . . . . . 32 ASN CA . 25878 1 318 . 1 1 32 32 ASN CB C 13 37.219 0.000 . . . . . . 32 ASN CB . 25878 1 319 . 1 1 32 32 ASN N N 15 112.375 0.000 . . . . . . 32 ASN N . 25878 1 320 . 1 1 33 33 MET H H 1 7.739 0.000 . . . . . . 33 MET HN . 25878 1 321 . 1 1 33 33 MET HA H 1 4.386 0.000 . . . . . . 33 MET HA . 25878 1 322 . 1 1 33 33 MET HB2 H 1 2.118 0.000 . . . . . . 33 MET HB2 . 25878 1 323 . 1 1 33 33 MET HB3 H 1 1.789 0.000 . . . . . . 33 MET HB3 . 25878 1 324 . 1 1 33 33 MET HG2 H 1 2.729 0.000 . . . . . . 33 MET HG2 . 25878 1 325 . 1 1 33 33 MET HG3 H 1 2.562 0.000 . . . . . . 33 MET HG3 . 25878 1 326 . 1 1 33 33 MET C C 13 177.144 0.000 . . . . . . 33 MET C . 25878 1 327 . 1 1 33 33 MET CA C 13 55.989 0.000 . . . . . . 33 MET CA . 25878 1 328 . 1 1 33 33 MET CB C 13 32.32 0.000 . . . . . . 33 MET CB . 25878 1 329 . 1 1 33 33 MET N N 15 118.657 0.000 . . . . . . 33 MET N . 25878 1 330 . 1 1 34 34 VAL H H 1 7.532 0.000 . . . . . . 34 VAL HN . 25878 1 331 . 1 1 34 34 VAL HA H 1 3.291 0.000 . . . . . . 34 VAL HA . 25878 1 332 . 1 1 34 34 VAL HB H 1 2.255 0.000 . . . . . . 34 VAL HB . 25878 1 333 . 1 1 34 34 VAL HG11 H 1 1.067 0.000 . . . . . . 34 VAL QG1 . 25878 1 334 . 1 1 34 34 VAL HG12 H 1 1.067 0.000 . . . . . . 34 VAL QG1 . 25878 1 335 . 1 1 34 34 VAL HG13 H 1 1.067 0.000 . . . . . . 34 VAL QG1 . 25878 1 336 . 1 1 34 34 VAL HG21 H 1 0.815 0.000 . . . . . . 34 VAL QG2 . 25878 1 337 . 1 1 34 34 VAL HG22 H 1 0.815 0.000 . . . . . . 34 VAL QG2 . 25878 1 338 . 1 1 34 34 VAL HG23 H 1 0.815 0.000 . . . . . . 34 VAL QG2 . 25878 1 339 . 1 1 34 34 VAL C C 13 177.289 0.000 . . . . . . 34 VAL C . 25878 1 340 . 1 1 34 34 VAL CA C 13 67.251 0.000 . . . . . . 34 VAL CA . 25878 1 341 . 1 1 34 34 VAL CB C 13 31.238 0.000 . . . . . . 34 VAL CB . 25878 1 342 . 1 1 34 34 VAL N N 15 119.139 0.000 . . . . . . 34 VAL N . 25878 1 343 . 1 1 35 35 GLY H H 1 8.72 0.000 . . . . . . 35 GLY HN . 25878 1 344 . 1 1 35 35 GLY HA2 H 1 3.979 0.000 . . . . . . 35 GLY HA2 . 25878 1 345 . 1 1 35 35 GLY HA3 H 1 3.541 0.000 . . . . . . 35 GLY HA3 . 25878 1 346 . 1 1 35 35 GLY C C 13 176.295 0.000 . . . . . . 35 GLY C . 25878 1 347 . 1 1 35 35 GLY CA C 13 47.845 0.000 . . . . . . 35 GLY CA . 25878 1 348 . 1 1 35 35 GLY N N 15 106.851 0.000 . . . . . . 35 GLY N . 25878 1 349 . 1 1 36 36 THR H H 1 7.668 0.000 . . . . . . 36 THR HN . 25878 1 350 . 1 1 36 36 THR HA H 1 4.104 0.000 . . . . . . 36 THR HA . 25878 1 351 . 1 1 36 36 THR HB H 1 3.917 0.000 . . . . . . 36 THR HB . 25878 1 352 . 1 1 36 36 THR HG21 H 1 1.21 0.000 . . . . . . 36 THR QG2 . 25878 1 353 . 1 1 36 36 THR HG22 H 1 1.21 0.000 . . . . . . 36 THR QG2 . 25878 1 354 . 1 1 36 36 THR HG23 H 1 1.21 0.000 . . . . . . 36 THR QG2 . 25878 1 355 . 1 1 36 36 THR C C 13 176.116 0.000 . . . . . . 36 THR C . 25878 1 356 . 1 1 36 36 THR CA C 13 66.551 0.000 . . . . . . 36 THR CA . 25878 1 357 . 1 1 36 36 THR CB C 13 68.587 0.000 . . . . . . 36 THR CB . 25878 1 358 . 1 1 36 36 THR N N 15 119.654 0.000 . . . . . . 36 THR N . 25878 1 359 . 1 1 37 37 ILE H H 1 7.739 0.000 . . . . . . 37 ILE HN . 25878 1 360 . 1 1 37 37 ILE HA H 1 3.432 0.000 . . . . . . 37 ILE HA . 25878 1 361 . 1 1 37 37 ILE HB H 1 1.664 0.000 . . . . . . 37 ILE HB . 25878 1 362 . 1 1 37 37 ILE HD11 H 1 0.147 0.000 . . . . . . 37 ILE QD1 . 25878 1 363 . 1 1 37 37 ILE HD12 H 1 0.147 0.000 . . . . . . 37 ILE QD1 . 25878 1 364 . 1 1 37 37 ILE HD13 H 1 0.147 0.000 . . . . . . 37 ILE QD1 . 25878 1 365 . 1 1 37 37 ILE HG12 H 1 1.201 0.000 . . . . . . 37 ILE HG12 . 25878 1 366 . 1 1 37 37 ILE HG13 H 1 0.874 0.000 . . . . . . 37 ILE HG13 . 25878 1 367 . 1 1 37 37 ILE HG21 H 1 0.34 0.000 . . . . . . 37 ILE QG2 . 25878 1 368 . 1 1 37 37 ILE HG22 H 1 0.34 0.000 . . . . . . 37 ILE QG2 . 25878 1 369 . 1 1 37 37 ILE HG23 H 1 0.34 0.000 . . . . . . 37 ILE QG2 . 25878 1 370 . 1 1 37 37 ILE C C 13 177.691 0.000 . . . . . . 37 ILE C . 25878 1 371 . 1 1 37 37 ILE CA C 13 65.915 0.000 . . . . . . 37 ILE CA . 25878 1 372 . 1 1 37 37 ILE CB C 13 37.919 0.000 . . . . . . 37 ILE CB . 25878 1 373 . 1 1 37 37 ILE N N 15 122.302 0.000 . . . . . . 37 ILE N . 25878 1 374 . 1 1 38 38 LEU H H 1 8.33 0.000 . . . . . . 38 LEU HN . 25878 1 375 . 1 1 38 38 LEU HA H 1 3.917 0.000 . . . . . . 38 LEU HA . 25878 1 376 . 1 1 38 38 LEU HB2 H 1 1.852 0.000 . . . . . . 38 LEU HB2 . 25878 1 377 . 1 1 38 38 LEU HB3 H 1 1.684 0.000 . . . . . . 38 LEU HB3 . 25878 1 378 . 1 1 38 38 LEU HD11 H 1 0.518 0.000 . . . . . . 38 LEU QQD . 25878 1 379 . 1 1 38 38 LEU HD12 H 1 0.518 0.000 . . . . . . 38 LEU QQD . 25878 1 380 . 1 1 38 38 LEU HD13 H 1 0.518 0.000 . . . . . . 38 LEU QQD . 25878 1 381 . 1 1 38 38 LEU HD21 H 1 0.518 0.000 . . . . . . 38 LEU QQD . 25878 1 382 . 1 1 38 38 LEU HD22 H 1 0.518 0.000 . . . . . . 38 LEU QQD . 25878 1 383 . 1 1 38 38 LEU HD23 H 1 0.518 0.000 . . . . . . 38 LEU QQD . 25878 1 384 . 1 1 38 38 LEU HG H 1 1.443 0.000 . . . . . . 38 LEU HG . 25878 1 385 . 1 1 38 38 LEU C C 13 179.289 0.000 . . . . . . 38 LEU C . 25878 1 386 . 1 1 38 38 LEU CA C 13 58.598 0.000 . . . . . . 38 LEU CA . 25878 1 387 . 1 1 38 38 LEU CB C 13 40.019 0.000 . . . . . . 38 LEU CB . 25878 1 388 . 1 1 38 38 LEU N N 15 117.969 0.000 . . . . . . 38 LEU N . 25878 1 389 . 1 1 39 39 GLN H H 1 8.074 0.000 . . . . . . 39 GLN HN . 25878 1 390 . 1 1 39 39 GLN HA H 1 3.938 0.000 . . . . . . 39 GLN HA . 25878 1 391 . 1 1 39 39 GLN HB2 H 1 2.493 0.000 . . . . . . 39 GLN HB2 . 25878 1 392 . 1 1 39 39 GLN HB3 H 1 2.258 0.000 . . . . . . 39 GLN HB3 . 25878 1 393 . 1 1 39 39 GLN C C 13 180.686 0.000 . . . . . . 39 GLN C . 25878 1 394 . 1 1 39 39 GLN CA C 13 59.761 0.000 . . . . . . 39 GLN CA . 25878 1 395 . 1 1 39 39 GLN CB C 13 28.184 0.000 . . . . . . 39 GLN CB . 25878 1 396 . 1 1 39 39 GLN N N 15 119.225 0.000 . . . . . . 39 GLN N . 25878 1 397 . 1 1 40 40 MET H H 1 8.162 0.000 . . . . . . 40 MET HN . 25878 1 398 . 1 1 40 40 MET HA H 1 4.151 0.000 . . . . . . 40 MET HA . 25878 1 399 . 1 1 40 40 MET HB2 H 1 2.374 0.000 . . . . . . 40 MET HB2 . 25878 1 400 . 1 1 40 40 MET HB3 H 1 2.228 0.000 . . . . . . 40 MET HB3 . 25878 1 401 . 1 1 40 40 MET HG2 H 1 2.611 0.000 . . . . . . 40 MET QG . 25878 1 402 . 1 1 40 40 MET HG3 H 1 2.611 0.000 . . . . . . 40 MET QG . 25878 1 403 . 1 1 40 40 MET C C 13 177.524 0.000 . . . . . . 40 MET C . 25878 1 404 . 1 1 40 40 MET CA C 13 59.107 0.000 . . . . . . 40 MET CA . 25878 1 405 . 1 1 40 40 MET CB C 13 32.384 0.000 . . . . . . 40 MET CB . 25878 1 406 . 1 1 40 40 MET N N 15 122.182 0.000 . . . . . . 40 MET N . 25878 1 407 . 1 1 41 41 LEU H H 1 7.679 0.000 . . . . . . 41 LEU HN . 25878 1 408 . 1 1 41 41 LEU HA H 1 4.401 0.000 . . . . . . 41 LEU HA . 25878 1 409 . 1 1 41 41 LEU HB2 H 1 1.97 0.000 . . . . . . 41 LEU QB . 25878 1 410 . 1 1 41 41 LEU HB3 H 1 1.97 0.000 . . . . . . 41 LEU QB . 25878 1 411 . 1 1 41 41 LEU HD11 H 1 0.955 0.000 . . . . . . 41 LEU QD1 . 25878 1 412 . 1 1 41 41 LEU HD12 H 1 0.955 0.000 . . . . . . 41 LEU QD1 . 25878 1 413 . 1 1 41 41 LEU HD13 H 1 0.955 0.000 . . . . . . 41 LEU QD1 . 25878 1 414 . 1 1 41 41 LEU HD21 H 1 0.844 0.000 . . . . . . 41 LEU QD2 . 25878 1 415 . 1 1 41 41 LEU HD22 H 1 0.844 0.000 . . . . . . 41 LEU QD2 . 25878 1 416 . 1 1 41 41 LEU HD23 H 1 0.844 0.000 . . . . . . 41 LEU QD2 . 25878 1 417 . 1 1 41 41 LEU HG H 1 1.852 0.000 . . . . . . 41 LEU HG . 25878 1 418 . 1 1 41 41 LEU C C 13 176.407 0.000 . . . . . . 41 LEU C . 25878 1 419 . 1 1 41 41 LEU CA C 13 54.907 0.000 . . . . . . 41 LEU CA . 25878 1 420 . 1 1 41 41 LEU CB C 13 42.246 0.000 . . . . . . 41 LEU CB . 25878 1 421 . 1 1 41 41 LEU N N 15 117.178 0.000 . . . . . . 41 LEU N . 25878 1 422 . 1 1 42 42 GLY H H 1 7.787 0.000 . . . . . . 42 GLY HN . 25878 1 423 . 1 1 42 42 GLY HA2 H 1 4.089 0.000 . . . . . . 42 GLY HA2 . 25878 1 424 . 1 1 42 42 GLY HA3 H 1 3.682 0.000 . . . . . . 42 GLY HA3 . 25878 1 425 . 1 1 42 42 GLY C C 13 173.982 0.000 . . . . . . 42 GLY C . 25878 1 426 . 1 1 42 42 GLY CA C 13 45.427 0.000 . . . . . . 42 GLY CA . 25878 1 427 . 1 1 42 42 GLY N N 15 106.427 0.000 . . . . . . 42 GLY N . 25878 1 428 . 1 1 43 43 HIS H H 1 8.328 0.000 . . . . . . 43 HIS HN . 25878 1 429 . 1 1 43 43 HIS HA H 1 4.683 0.000 . . . . . . 43 HIS HA . 25878 1 430 . 1 1 43 43 HIS HB2 H 1 2.712 0.000 . . . . . . 43 HIS HB2 . 25878 1 431 . 1 1 43 43 HIS HB3 H 1 2.462 0.000 . . . . . . 43 HIS HB3 . 25878 1 432 . 1 1 43 43 HIS HD2 H 1 6.62 0.000 . . . . . . 43 HIS HD2 . 25878 1 433 . 1 1 43 43 HIS C C 13 172.529 0.000 . . . . . . 43 HIS C . 25878 1 434 . 1 1 43 43 HIS CA C 13 54.653 0.000 . . . . . . 43 HIS CA . 25878 1 435 . 1 1 43 43 HIS CB C 13 30.856 0.000 . . . . . . 43 HIS CB . 25878 1 436 . 1 1 43 43 HIS N N 15 120.342 0.000 . . . . . . 43 HIS N . 25878 1 437 . 1 1 44 44 GLU H H 1 8.471 0.000 . . . . . . 44 GLU HN . 25878 1 438 . 1 1 44 44 GLU HA H 1 4.225 0.000 . . . . . . 44 GLU HA . 25878 1 439 . 1 1 44 44 GLU HB2 H 1 2.075 0.000 . . . . . . 44 GLU HB2 . 25878 1 440 . 1 1 44 44 GLU HB3 H 1 1.899 0.000 . . . . . . 44 GLU HB3 . 25878 1 441 . 1 1 44 44 GLU C C 13 175.457 0.000 . . . . . . 44 GLU C . 25878 1 442 . 1 1 44 44 GLU CA C 13 56.18 0.000 . . . . . . 44 GLU CA . 25878 1 443 . 1 1 44 44 GLU CB C 13 29.966 0.000 . . . . . . 44 GLU CB . 25878 1 444 . 1 1 44 44 GLU N N 15 123.523 0.000 . . . . . . 44 GLU N . 25878 1 445 . 1 1 45 45 VAL H H 1 8.272 0.000 . . . . . . 45 VAL HN . 25878 1 446 . 1 1 45 45 VAL HA H 1 4.417 0.000 . . . . . . 45 VAL HA . 25878 1 447 . 1 1 45 45 VAL HB H 1 1.82 0.000 . . . . . . 45 VAL HB . 25878 1 448 . 1 1 45 45 VAL HG11 H 1 0.772 0.000 . . . . . . 45 VAL QG1 . 25878 1 449 . 1 1 45 45 VAL HG12 H 1 0.772 0.000 . . . . . . 45 VAL QG1 . 25878 1 450 . 1 1 45 45 VAL HG13 H 1 0.772 0.000 . . . . . . 45 VAL QG1 . 25878 1 451 . 1 1 45 45 VAL HG21 H 1 0.6 0.000 . . . . . . 45 VAL QG2 . 25878 1 452 . 1 1 45 45 VAL HG22 H 1 0.6 0.000 . . . . . . 45 VAL QG2 . 25878 1 453 . 1 1 45 45 VAL HG23 H 1 0.6 0.000 . . . . . . 45 VAL QG2 . 25878 1 454 . 1 1 45 45 VAL C C 13 174.932 0.000 . . . . . . 45 VAL C . 25878 1 455 . 1 1 45 45 VAL CA C 13 60.316 0.000 . . . . . . 45 VAL CA . 25878 1 456 . 1 1 45 45 VAL CB C 13 34.61 0.000 . . . . . . 45 VAL CB . 25878 1 457 . 1 1 45 45 VAL N N 15 123.764 0.000 . . . . . . 45 VAL N . 25878 1 458 . 1 1 46 46 SER H H 1 8.665 0.000 . . . . . . 46 SER HN . 25878 1 459 . 1 1 46 46 SER HA H 1 4.495 0.000 . . . . . . 46 SER HA . 25878 1 460 . 1 1 46 46 SER HB2 H 1 3.025 0.000 . . . . . . 46 SER HB2 . 25878 1 461 . 1 1 46 46 SER HB3 H 1 2.743 0.000 . . . . . . 46 SER HB3 . 25878 1 462 . 1 1 46 46 SER C C 13 174.641 0.000 . . . . . . 46 SER C . 25878 1 463 . 1 1 46 46 SER CA C 13 57.707 0.000 . . . . . . 46 SER CA . 25878 1 464 . 1 1 46 46 SER CB C 13 64.642 0.000 . . . . . . 46 SER CB . 25878 1 465 . 1 1 46 46 SER N N 15 121.34 0.000 . . . . . . 46 SER N . 25878 1 466 . 1 1 47 47 ASP H H 1 8.824 0.000 . . . . . . 47 ASP HN . 25878 1 467 . 1 1 47 47 ASP HA H 1 4.33 0.000 . . . . . . 47 ASP HA . 25878 1 468 . 1 1 47 47 ASP HB2 H 1 2.672 0.000 . . . . . . 47 ASP QB . 25878 1 469 . 1 1 47 47 ASP HB3 H 1 2.672 0.000 . . . . . . 47 ASP QB . 25878 1 470 . 1 1 47 47 ASP C C 13 178.652 0.000 . . . . . . 47 ASP C . 25878 1 471 . 1 1 47 47 ASP CA C 13 57.771 0.000 . . . . . . 47 ASP CA . 25878 1 472 . 1 1 47 47 ASP CB C 13 40.337 0.000 . . . . . . 47 ASP CB . 25878 1 473 . 1 1 47 47 ASP N N 15 122.698 0.000 . . . . . . 47 ASP N . 25878 1 474 . 1 1 48 48 LYS H H 1 8.33 0.000 . . . . . . 48 LYS HN . 25878 1 475 . 1 1 48 48 LYS HA H 1 4.089 0.000 . . . . . . 48 LYS HA . 25878 1 476 . 1 1 48 48 LYS HB2 H 1 1.862 0.000 . . . . . . 48 LYS HB2 . 25878 1 477 . 1 1 48 48 LYS HB3 H 1 1.727 0.000 . . . . . . 48 LYS HB3 . 25878 1 478 . 1 1 48 48 LYS HG2 H 1 1.479 0.000 . . . . . . 48 LYS QG . 25878 1 479 . 1 1 48 48 LYS HG3 H 1 1.479 0.000 . . . . . . 48 LYS QG . 25878 1 480 . 1 1 48 48 LYS C C 13 178.708 0.000 . . . . . . 48 LYS C . 25878 1 481 . 1 1 48 48 LYS CA C 13 59.234 0.000 . . . . . . 48 LYS CA . 25878 1 482 . 1 1 48 48 LYS CB C 13 32.638 0.000 . . . . . . 48 LYS CB . 25878 1 483 . 1 1 48 48 LYS N N 15 119.826 0.000 . . . . . . 48 LYS N . 25878 1 484 . 1 1 49 49 GLN H H 1 7.636 0.000 . . . . . . 49 GLN HN . 25878 1 485 . 1 1 49 49 GLN HA H 1 4.167 0.000 . . . . . . 49 GLN HA . 25878 1 486 . 1 1 49 49 GLN HB2 H 1 2.165 0.000 . . . . . . 49 GLN HB2 . 25878 1 487 . 1 1 49 49 GLN HB3 H 1 2.041 0.000 . . . . . . 49 GLN HB3 . 25878 1 488 . 1 1 49 49 GLN HG2 H 1 2.43 0.000 . . . . . . 49 GLN QG . 25878 1 489 . 1 1 49 49 GLN HG3 H 1 2.43 0.000 . . . . . . 49 GLN QG . 25878 1 490 . 1 1 49 49 GLN C C 13 178.519 0.000 . . . . . . 49 GLN C . 25878 1 491 . 1 1 49 49 GLN CA C 13 58.343 0.000 . . . . . . 49 GLN CA . 25878 1 492 . 1 1 49 49 GLN CB C 13 29.011 0.000 . . . . . . 49 GLN CB . 25878 1 493 . 1 1 49 49 GLN N N 15 118.623 0.000 . . . . . . 49 GLN N . 25878 1 494 . 1 1 50 50 LEU H H 1 8.427 0.000 . . . . . . 50 LEU HN . 25878 1 495 . 1 1 50 50 LEU HA H 1 4.026 0.000 . . . . . . 50 LEU HA . 25878 1 496 . 1 1 50 50 LEU HB2 H 1 1.727 0.000 . . . . . . 50 LEU QB . 25878 1 497 . 1 1 50 50 LEU HB3 H 1 1.727 0.000 . . . . . . 50 LEU QB . 25878 1 498 . 1 1 50 50 LEU HD11 H 1 0.801 0.000 . . . . . . 50 LEU QQD . 25878 1 499 . 1 1 50 50 LEU HD12 H 1 0.801 0.000 . . . . . . 50 LEU QQD . 25878 1 500 . 1 1 50 50 LEU HD13 H 1 0.801 0.000 . . . . . . 50 LEU QQD . 25878 1 501 . 1 1 50 50 LEU HD21 H 1 0.801 0.000 . . . . . . 50 LEU QQD . 25878 1 502 . 1 1 50 50 LEU HD22 H 1 0.801 0.000 . . . . . . 50 LEU QQD . 25878 1 503 . 1 1 50 50 LEU HD23 H 1 0.801 0.000 . . . . . . 50 LEU QQD . 25878 1 504 . 1 1 50 50 LEU HG H 1 1.651 0.000 . . . . . . 50 LEU HG . 25878 1 505 . 1 1 50 50 LEU C C 13 178.15 0.000 . . . . . . 50 LEU C . 25878 1 506 . 1 1 50 50 LEU CA C 13 57.962 0.000 . . . . . . 50 LEU CA . 25878 1 507 . 1 1 50 50 LEU CB C 13 41.737 0.000 . . . . . . 50 LEU CB . 25878 1 508 . 1 1 50 50 LEU N N 15 119.672 0.000 . . . . . . 50 LEU N . 25878 1 509 . 1 1 51 51 THR H H 1 8.077 0.000 . . . . . . 51 THR HN . 25878 1 510 . 1 1 51 51 THR HA H 1 4.245 0.000 . . . . . . 51 THR HA . 25878 1 511 . 1 1 51 51 THR HB H 1 3.823 0.000 . . . . . . 51 THR HB . 25878 1 512 . 1 1 51 51 THR HG21 H 1 1.273 0.000 . . . . . . 51 THR QG2 . 25878 1 513 . 1 1 51 51 THR HG22 H 1 1.273 0.000 . . . . . . 51 THR QG2 . 25878 1 514 . 1 1 51 51 THR HG23 H 1 1.273 0.000 . . . . . . 51 THR QG2 . 25878 1 515 . 1 1 51 51 THR C C 13 176.116 0.000 . . . . . . 51 THR C . 25878 1 516 . 1 1 51 51 THR CA C 13 66.869 0.000 . . . . . . 51 THR CA . 25878 1 517 . 1 1 51 51 THR CB C 13 68.905 0.000 . . . . . . 51 THR CB . 25878 1 518 . 1 1 51 51 THR N N 15 113.262 0.000 . . . . . . 51 THR N . 25878 1 519 . 1 1 52 52 GLU H H 1 7.422 0.000 . . . . . . 52 GLU HN . 25878 1 520 . 1 1 52 52 GLU HA H 1 4.073 0.000 . . . . . . 52 GLU HA . 25878 1 521 . 1 1 52 52 GLU HB2 H 1 2.446 0.000 . . . . . . 52 GLU HB2 . 25878 1 522 . 1 1 52 52 GLU HB3 H 1 2.196 0.000 . . . . . . 52 GLU HB3 . 25878 1 523 . 1 1 52 52 GLU C C 13 179.024 0.000 . . . . . . 52 GLU C . 25878 1 524 . 1 1 52 52 GLU CA C 13 59.298 0.000 . . . . . . 52 GLU CA . 25878 1 525 . 1 1 52 52 GLU CB C 13 29.584 0.000 . . . . . . 52 GLU CB . 25878 1 526 . 1 1 52 52 GLU N N 15 118.691 0.000 . . . . . . 52 GLU N . 25878 1 527 . 1 1 53 53 ILE H H 1 8.015 0.000 . . . . . . 53 ILE HN . 25878 1 528 . 1 1 53 53 ILE HA H 1 3.948 0.000 . . . . . . 53 ILE HA . 25878 1 529 . 1 1 53 53 ILE HB H 1 1.946 0.000 . . . . . . 53 ILE HB . 25878 1 530 . 1 1 53 53 ILE HD11 H 1 0.857 0.000 . . . . . . 53 ILE QD1 . 25878 1 531 . 1 1 53 53 ILE HD12 H 1 0.857 0.000 . . . . . . 53 ILE QD1 . 25878 1 532 . 1 1 53 53 ILE HD13 H 1 0.857 0.000 . . . . . . 53 ILE QD1 . 25878 1 533 . 1 1 53 53 ILE HG12 H 1 1.219 0.000 . . . . . . 53 ILE QG1 . 25878 1 534 . 1 1 53 53 ILE HG13 H 1 1.219 0.000 . . . . . . 53 ILE QG1 . 25878 1 535 . 1 1 53 53 ILE HG21 H 1 0.976 0.000 . . . . . . 53 ILE QG2 . 25878 1 536 . 1 1 53 53 ILE HG22 H 1 0.976 0.000 . . . . . . 53 ILE QG2 . 25878 1 537 . 1 1 53 53 ILE HG23 H 1 0.976 0.000 . . . . . . 53 ILE QG2 . 25878 1 538 . 1 1 53 53 ILE C C 13 177.669 0.000 . . . . . . 53 ILE C . 25878 1 539 . 1 1 53 53 ILE CA C 13 64.453 0.000 . . . . . . 53 ILE CA . 25878 1 540 . 1 1 53 53 ILE CB C 13 38.174 0.000 . . . . . . 53 ILE CB . 25878 1 541 . 1 1 53 53 ILE N N 15 119.345 0.000 . . . . . . 53 ILE N . 25878 1 542 . 1 1 54 54 ILE H H 1 8.364 0.001 . . . . . . 54 ILE HN . 25878 1 543 . 1 1 54 54 ILE HA H 1 3.572 0.000 . . . . . . 54 ILE HA . 25878 1 544 . 1 1 54 54 ILE HB H 1 1.914 0.000 . . . . . . 54 ILE HB . 25878 1 545 . 1 1 54 54 ILE HG12 H 1 1.691 0.000 . . . . . . 54 ILE HG12 . 25878 1 546 . 1 1 54 54 ILE HG13 H 1 1.231 0.000 . . . . . . 54 ILE HG13 . 25878 1 547 . 1 1 54 54 ILE HG21 H 1 0.859 0.000 . . . . . . 54 ILE QG2 . 25878 1 548 . 1 1 54 54 ILE HG22 H 1 0.859 0.000 . . . . . . 54 ILE QG2 . 25878 1 549 . 1 1 54 54 ILE HG23 H 1 0.859 0.000 . . . . . . 54 ILE QG2 . 25878 1 550 . 1 1 54 54 ILE C C 13 177.055 0.000 . . . . . . 54 ILE C . 25878 1 551 . 1 1 54 54 ILE CA C 13 66.169 0.000 . . . . . . 54 ILE CA . 25878 1 552 . 1 1 54 54 ILE CB C 13 37.601 0.000 . . . . . . 54 ILE CB . 25878 1 553 . 1 1 54 54 ILE N N 15 120.892 0.000 . . . . . . 54 ILE N . 25878 1 554 . 1 1 55 55 VAL H H 1 7.321 0.000 . . . . . . 55 VAL HN . 25878 1 555 . 1 1 55 55 VAL HA H 1 3.791 0.000 . . . . . . 55 VAL HA . 25878 1 556 . 1 1 55 55 VAL HB H 1 2.149 0.000 . . . . . . 55 VAL HB . 25878 1 557 . 1 1 55 55 VAL HG11 H 1 1.093 0.000 . . . . . . 55 VAL QG1 . 25878 1 558 . 1 1 55 55 VAL HG12 H 1 1.093 0.000 . . . . . . 55 VAL QG1 . 25878 1 559 . 1 1 55 55 VAL HG13 H 1 1.093 0.000 . . . . . . 55 VAL QG1 . 25878 1 560 . 1 1 55 55 VAL HG21 H 1 0.956 0.000 . . . . . . 55 VAL QG2 . 25878 1 561 . 1 1 55 55 VAL HG22 H 1 0.956 0.000 . . . . . . 55 VAL QG2 . 25878 1 562 . 1 1 55 55 VAL HG23 H 1 0.956 0.000 . . . . . . 55 VAL QG2 . 25878 1 563 . 1 1 55 55 VAL C C 13 178.608 0.000 . . . . . . 55 VAL C . 25878 1 564 . 1 1 55 55 VAL CA C 13 65.699 0.000 . . . . . . 55 VAL CA . 25878 1 565 . 1 1 55 55 VAL CB C 13 31.747 0.000 . . . . . . 55 VAL CB . 25878 1 566 . 1 1 55 55 VAL N N 15 116.129 0.000 . . . . . . 55 VAL N . 25878 1 567 . 1 1 56 56 GLU H H 1 7.469 0.001 . . . . . . 56 GLU HN . 25878 1 568 . 1 1 56 56 GLU HA H 1 4.01 0.000 . . . . . . 56 GLU HA . 25878 1 569 . 1 1 56 56 GLU HB2 H 1 2.235 0.000 . . . . . . 56 GLU HB2 . 25878 1 570 . 1 1 56 56 GLU HB3 H 1 2.12 0.000 . . . . . . 56 GLU HB3 . 25878 1 571 . 1 1 56 56 GLU HG2 H 1 2.424 0.000 . . . . . . 56 GLU QG . 25878 1 572 . 1 1 56 56 GLU HG3 H 1 2.424 0.000 . . . . . . 56 GLU QG . 25878 1 573 . 1 1 56 56 GLU C C 13 178.731 0.000 . . . . . . 56 GLU C . 25878 1 574 . 1 1 56 56 GLU CA C 13 59.079 0.000 . . . . . . 56 GLU CA . 25878 1 575 . 1 1 56 56 GLU CB C 13 30.093 0.000 . . . . . . 56 GLU CB . 25878 1 576 . 1 1 56 56 GLU N N 15 118.502 0.000 . . . . . . 56 GLU N . 25878 1 577 . 1 1 57 57 VAL H H 1 7.853 0.000 . . . . . . 57 VAL HN . 25878 1 578 . 1 1 57 57 VAL HA H 1 4.354 0.000 . . . . . . 57 VAL HA . 25878 1 579 . 1 1 57 57 VAL HB H 1 2.433 0.000 . . . . . . 57 VAL HB . 25878 1 580 . 1 1 57 57 VAL HG11 H 1 1.023 0.000 . . . . . . 57 VAL QG1 . 25878 1 581 . 1 1 57 57 VAL HG12 H 1 1.023 0.000 . . . . . . 57 VAL QG1 . 25878 1 582 . 1 1 57 57 VAL HG13 H 1 1.023 0.000 . . . . . . 57 VAL QG1 . 25878 1 583 . 1 1 57 57 VAL HG21 H 1 0.889 0.000 . . . . . . 57 VAL QG2 . 25878 1 584 . 1 1 57 57 VAL HG22 H 1 0.889 0.000 . . . . . . 57 VAL QG2 . 25878 1 585 . 1 1 57 57 VAL HG23 H 1 0.889 0.000 . . . . . . 57 VAL QG2 . 25878 1 586 . 1 1 57 57 VAL C C 13 176.798 0.000 . . . . . . 57 VAL C . 25878 1 587 . 1 1 57 57 VAL CA C 13 62.288 0.000 . . . . . . 57 VAL CA . 25878 1 588 . 1 1 57 57 VAL CB C 13 31.811 0.000 . . . . . . 57 VAL CB . 25878 1 589 . 1 1 57 57 VAL N N 15 109.781 0.000 . . . . . . 57 VAL N . 25878 1 590 . 1 1 58 58 ASP H H 1 7.791 0.000 . . . . . . 58 ASP HN . 25878 1 591 . 1 1 58 58 ASP HA H 1 4.996 0.000 . . . . . . 58 ASP HA . 25878 1 592 . 1 1 58 58 ASP HB2 H 1 2.931 0.000 . . . . . . 58 ASP HB2 . 25878 1 593 . 1 1 58 58 ASP HB3 H 1 2.43 0.000 . . . . . . 58 ASP HB3 . 25878 1 594 . 1 1 58 58 ASP C C 13 177.669 0.000 . . . . . . 58 ASP C . 25878 1 595 . 1 1 58 58 ASP CA C 13 52.935 0.000 . . . . . . 58 ASP CA . 25878 1 596 . 1 1 58 58 ASP CB C 13 38.873 0.000 . . . . . . 58 ASP CB . 25878 1 597 . 1 1 58 58 ASP N N 15 122.062 0.000 . . . . . . 58 ASP N . 25878 1 598 . 1 1 59 59 ALA H H 1 8.279 0.000 . . . . . . 59 ALA HN . 25878 1 599 . 1 1 59 59 ALA HA H 1 4.12 0.000 . . . . . . 59 ALA HA . 25878 1 600 . 1 1 59 59 ALA HB1 H 1 1.539 0.000 . . . . . . 59 ALA QB . 25878 1 601 . 1 1 59 59 ALA HB2 H 1 1.539 0.000 . . . . . . 59 ALA QB . 25878 1 602 . 1 1 59 59 ALA HB3 H 1 1.539 0.000 . . . . . . 59 ALA QB . 25878 1 603 . 1 1 59 59 ALA C C 13 178.585 0.000 . . . . . . 59 ALA C . 25878 1 604 . 1 1 59 59 ALA CA C 13 54.907 0.000 . . . . . . 59 ALA CA . 25878 1 605 . 1 1 59 59 ALA CB C 13 19.086 0.000 . . . . . . 59 ALA CB . 25878 1 606 . 1 1 59 59 ALA N N 15 129.869 0.000 . . . . . . 59 ALA N . 25878 1 607 . 1 1 60 60 ASP H H 1 8.181 0.000 . . . . . . 60 ASP HN . 25878 1 608 . 1 1 60 60 ASP HA H 1 4.652 0.000 . . . . . . 60 ASP HA . 25878 1 609 . 1 1 60 60 ASP HB2 H 1 3.072 0.000 . . . . . . 60 ASP HB2 . 25878 1 610 . 1 1 60 60 ASP HB3 H 1 2.728 0.000 . . . . . . 60 ASP HB3 . 25878 1 611 . 1 1 60 60 ASP C C 13 177.781 0.000 . . . . . . 60 ASP C . 25878 1 612 . 1 1 60 60 ASP CA C 13 52.68 0.000 . . . . . . 60 ASP CA . 25878 1 613 . 1 1 60 60 ASP CB C 13 40.146 0.000 . . . . . . 60 ASP CB . 25878 1 614 . 1 1 60 60 ASP N N 15 113.45 0.000 . . . . . . 60 ASP N . 25878 1 615 . 1 1 61 61 GLY H H 1 7.951 0.000 . . . . . . 61 GLY HN . 25878 1 616 . 1 1 61 61 GLY HA2 H 1 3.854 0.000 . . . . . . 61 GLY QA . 25878 1 617 . 1 1 61 61 GLY HA3 H 1 3.854 0.000 . . . . . . 61 GLY QA . 25878 1 618 . 1 1 61 61 GLY C C 13 175.177 0.000 . . . . . . 61 GLY C . 25878 1 619 . 1 1 61 61 GLY CA C 13 46.89 0.000 . . . . . . 61 GLY CA . 25878 1 620 . 1 1 61 61 GLY N N 15 109.228 0.000 . . . . . . 61 GLY N . 25878 1 621 . 1 1 62 62 SER H H 1 8.384 0.000 . . . . . . 62 SER HN . 25878 1 622 . 1 1 62 62 SER HA H 1 4.198 0.000 . . . . . . 62 SER HA . 25878 1 623 . 1 1 62 62 SER HB2 H 1 3.986 0.000 . . . . . . 62 SER QB . 25878 1 624 . 1 1 62 62 SER HB3 H 1 3.986 0.000 . . . . . . 62 SER QB . 25878 1 625 . 1 1 62 62 SER C C 13 175.881 0.000 . . . . . . 62 SER C . 25878 1 626 . 1 1 62 62 SER CA C 13 59.361 0.000 . . . . . . 62 SER CA . 25878 1 627 . 1 1 62 62 SER CB C 13 64.579 0.000 . . . . . . 62 SER CB . 25878 1 628 . 1 1 62 62 SER N N 15 116.404 0.000 . . . . . . 62 SER N . 25878 1 629 . 1 1 63 63 GLY H H 1 10.497 0.000 . . . . . . 63 GLY HN . 25878 1 630 . 1 1 63 63 GLY HA2 H 1 4.135 0.000 . . . . . . 63 GLY HA2 . 25878 1 631 . 1 1 63 63 GLY HA3 H 1 3.469 0.000 . . . . . . 63 GLY HA3 . 25878 1 632 . 1 1 63 63 GLY C C 13 172.775 0.000 . . . . . . 63 GLY C . 25878 1 633 . 1 1 63 63 GLY CA C 13 45.363 0.000 . . . . . . 63 GLY CA . 25878 1 634 . 1 1 63 63 GLY N N 15 115.649 0.000 . . . . . . 63 GLY N . 25878 1 635 . 1 1 64 64 GLN H H 1 7.886 0.000 . . . . . . 64 GLN HN . 25878 1 636 . 1 1 64 64 GLN HA H 1 4.605 0.000 . . . . . . 64 GLN HA . 25878 1 637 . 1 1 64 64 GLN HB2 H 1 1.773 0.000 . . . . . . 64 GLN HB2 . 25878 1 638 . 1 1 64 64 GLN HB3 H 1 1.601 0.000 . . . . . . 64 GLN HB3 . 25878 1 639 . 1 1 64 64 GLN C C 13 174.027 0.000 . . . . . . 64 GLN C . 25878 1 640 . 1 1 64 64 GLN CA C 13 53.253 0.000 . . . . . . 64 GLN CA . 25878 1 641 . 1 1 64 64 GLN CB C 13 30.475 0.000 . . . . . . 64 GLN CB . 25878 1 642 . 1 1 64 64 GLN N N 15 116.783 0.000 . . . . . . 64 GLN N . 25878 1 643 . 1 1 65 65 LEU H H 1 9.116 0.000 . . . . . . 65 LEU HN . 25878 1 644 . 1 1 65 65 LEU HA H 1 5.444 0.000 . . . . . . 65 LEU HA . 25878 1 645 . 1 1 65 65 LEU HB2 H 1 1.79 0.000 . . . . . . 65 LEU QB . 25878 1 646 . 1 1 65 65 LEU HB3 H 1 1.79 0.000 . . . . . . 65 LEU QB . 25878 1 647 . 1 1 65 65 LEU HD11 H 1 0.902 0.000 . . . . . . 65 LEU QQD . 25878 1 648 . 1 1 65 65 LEU HD12 H 1 0.902 0.000 . . . . . . 65 LEU QQD . 25878 1 649 . 1 1 65 65 LEU HD13 H 1 0.902 0.000 . . . . . . 65 LEU QQD . 25878 1 650 . 1 1 65 65 LEU HD21 H 1 0.902 0.000 . . . . . . 65 LEU QQD . 25878 1 651 . 1 1 65 65 LEU HD22 H 1 0.902 0.000 . . . . . . 65 LEU QQD . 25878 1 652 . 1 1 65 65 LEU HD23 H 1 0.902 0.000 . . . . . . 65 LEU QQD . 25878 1 653 . 1 1 65 65 LEU HG H 1 1.684 0.000 . . . . . . 65 LEU HG . 25878 1 654 . 1 1 65 65 LEU C C 13 176.105 0.000 . . . . . . 65 LEU C . 25878 1 655 . 1 1 65 65 LEU CA C 13 53.891 0.000 . . . . . . 65 LEU CA . 25878 1 656 . 1 1 65 65 LEU CB C 13 42.118 0.000 . . . . . . 65 LEU CB . 25878 1 657 . 1 1 65 65 LEU N N 15 125.518 0.000 . . . . . . 65 LEU N . 25878 1 658 . 1 1 66 66 GLU H H 1 7.912 0.000 . . . . . . 66 GLU HN . 25878 1 659 . 1 1 66 66 GLU HA H 1 5.152 0.000 . . . . . . 66 GLU HA . 25878 1 660 . 1 1 66 66 GLU HB2 H 1 2.227 0.000 . . . . . . 66 GLU HB2 . 25878 1 661 . 1 1 66 66 GLU HB3 H 1 2.104 0.000 . . . . . . 66 GLU HB3 . 25878 1 662 . 1 1 66 66 GLU HG2 H 1 2.489 0.000 . . . . . . 66 GLU HG2 . 25878 1 663 . 1 1 66 66 GLU HG3 H 1 2.685 0.000 . . . . . . 66 GLU HG3 . 25878 1 664 . 1 1 66 66 GLU C C 13 177.502 0.000 . . . . . . 66 GLU C . 25878 1 665 . 1 1 66 66 GLU CA C 13 57.389 0.000 . . . . . . 66 GLU CA . 25878 1 666 . 1 1 66 66 GLU CB C 13 29.838 0.000 . . . . . . 66 GLU CB . 25878 1 667 . 1 1 66 66 GLU N N 15 124.59 0.000 . . . . . . 66 GLU N . 25878 1 668 . 1 1 67 67 PHE H H 1 9.262 0.000 . . . . . . 67 PHE HN . 25878 1 669 . 1 1 67 67 PHE HA H 1 3.354 0.000 . . . . . . 67 PHE HA . 25878 1 670 . 1 1 67 67 PHE HB2 H 1 2.522 0.000 . . . . . . 67 PHE HB2 . 25878 1 671 . 1 1 67 67 PHE HB3 H 1 2.329 0.000 . . . . . . 67 PHE HB3 . 25878 1 672 . 1 1 67 67 PHE HD1 H 1 6.65 0.000 . . . . . . 67 PHE QD . 25878 1 673 . 1 1 67 67 PHE HD2 H 1 6.65 0.000 . . . . . . 67 PHE QD . 25878 1 674 . 1 1 67 67 PHE HE1 H 1 7.2 0.000 . . . . . . 67 PHE QE . 25878 1 675 . 1 1 67 67 PHE HE2 H 1 7.2 0.000 . . . . . . 67 PHE QE . 25878 1 676 . 1 1 67 67 PHE HZ H 1 7.373 0.000 . . . . . . 67 PHE HZ . 25878 1 677 . 1 1 67 67 PHE C C 13 176.563 0.000 . . . . . . 67 PHE C . 25878 1 678 . 1 1 67 67 PHE CA C 13 62.844 0.000 . . . . . . 67 PHE CA . 25878 1 679 . 1 1 67 67 PHE CB C 13 38.428 0.000 . . . . . . 67 PHE CB . 25878 1 680 . 1 1 67 67 PHE N N 15 122.612 0.000 . . . . . . 67 PHE N . 25878 1 681 . 1 1 68 68 GLU H H 1 9.376 0.000 . . . . . . 68 GLU HN . 25878 1 682 . 1 1 68 68 GLU HA H 1 3.525 0.000 . . . . . . 68 GLU HA . 25878 1 683 . 1 1 68 68 GLU HB2 H 1 2.039 0.000 . . . . . . 68 GLU QB . 25878 1 684 . 1 1 68 68 GLU HB3 H 1 2.039 0.000 . . . . . . 68 GLU QB . 25878 1 685 . 1 1 68 68 GLU C C 13 179.177 0.000 . . . . . . 68 GLU C . 25878 1 686 . 1 1 68 68 GLU CA C 13 60.57 0.000 . . . . . . 68 GLU CA . 25878 1 687 . 1 1 68 68 GLU CB C 13 28.439 0.000 . . . . . . 68 GLU CB . 25878 1 688 . 1 1 68 68 GLU N N 15 115.582 0.000 . . . . . . 68 GLU N . 25878 1 689 . 1 1 69 69 GLU H H 1 6.945 0.000 . . . . . . 69 GLU HN . 25878 1 690 . 1 1 69 69 GLU HA H 1 4.182 0.000 . . . . . . 69 GLU HA . 25878 1 691 . 1 1 69 69 GLU HB2 H 1 2.556 0.000 . . . . . . 69 GLU QB . 25878 1 692 . 1 1 69 69 GLU HB3 H 1 2.556 0.000 . . . . . . 69 GLU QB . 25878 1 693 . 1 1 69 69 GLU C C 13 178.24 0.000 . . . . . . 69 GLU C . 25878 1 694 . 1 1 69 69 GLU CA C 13 58.314 0.000 . . . . . . 69 GLU CA . 25878 1 695 . 1 1 69 69 GLU CB C 13 30.093 0.000 . . . . . . 69 GLU CB . 25878 1 696 . 1 1 69 69 GLU N N 15 118.158 0.000 . . . . . . 69 GLU N . 25878 1 697 . 1 1 70 70 PHE H H 1 8.372 0.003 . . . . . . 70 PHE HN . 25878 1 698 . 1 1 70 70 PHE HA H 1 4.208 0.000 . . . . . . 70 PHE HA . 25878 1 699 . 1 1 70 70 PHE HB2 H 1 3.369 0.000 . . . . . . 70 PHE HB2 . 25878 1 700 . 1 1 70 70 PHE HB3 H 1 3.116 0.000 . . . . . . 70 PHE HB3 . 25878 1 701 . 1 1 70 70 PHE C C 13 176.753 0.000 . . . . . . 70 PHE C . 25878 1 702 . 1 1 70 70 PHE CA C 13 60.952 0.000 . . . . . . 70 PHE CA . 25878 1 703 . 1 1 70 70 PHE CB C 13 38.873 0.000 . . . . . . 70 PHE CB . 25878 1 704 . 1 1 70 70 PHE N N 15 119.518 0.003 . . . . . . 70 PHE N . 25878 1 705 . 1 1 71 71 VAL H H 1 8.373 0.000 . . . . . . 71 VAL HN . 25878 1 706 . 1 1 71 71 VAL HA H 1 2.915 0.000 . . . . . . 71 VAL HA . 25878 1 707 . 1 1 71 71 VAL HB H 1 1.617 0.000 . . . . . . 71 VAL HB . 25878 1 708 . 1 1 71 71 VAL HG11 H 1 0.889 0.000 . . . . . . 71 VAL QG1 . 25878 1 709 . 1 1 71 71 VAL HG12 H 1 0.889 0.000 . . . . . . 71 VAL QG1 . 25878 1 710 . 1 1 71 71 VAL HG13 H 1 0.889 0.000 . . . . . . 71 VAL QG1 . 25878 1 711 . 1 1 71 71 VAL HG21 H 1 0.592 0.000 . . . . . . 71 VAL QG2 . 25878 1 712 . 1 1 71 71 VAL HG22 H 1 0.592 0.000 . . . . . . 71 VAL QG2 . 25878 1 713 . 1 1 71 71 VAL HG23 H 1 0.592 0.000 . . . . . . 71 VAL QG2 . 25878 1 714 . 1 1 71 71 VAL C C 13 176.138 0.000 . . . . . . 71 VAL C . 25878 1 715 . 1 1 71 71 VAL CA C 13 67.251 0.000 . . . . . . 71 VAL CA . 25878 1 716 . 1 1 71 71 VAL CB C 13 30.92 0.000 . . . . . . 71 VAL CB . 25878 1 717 . 1 1 71 71 VAL N N 15 119.517 0.000 . . . . . . 71 VAL N . 25878 1 718 . 1 1 72 72 THR H H 1 7.321 0.000 . . . . . . 72 THR HN . 25878 1 719 . 1 1 72 72 THR HA H 1 4.354 0.000 . . . . . . 72 THR HA . 25878 1 720 . 1 1 72 72 THR HB H 1 3.666 0.000 . . . . . . 72 THR HB . 25878 1 721 . 1 1 72 72 THR HG21 H 1 1.226 0.000 . . . . . . 72 THR QG2 . 25878 1 722 . 1 1 72 72 THR HG22 H 1 1.226 0.000 . . . . . . 72 THR QG2 . 25878 1 723 . 1 1 72 72 THR HG23 H 1 1.226 0.000 . . . . . . 72 THR QG2 . 25878 1 724 . 1 1 72 72 THR C C 13 176.138 0.000 . . . . . . 72 THR C . 25878 1 725 . 1 1 72 72 THR CA C 13 66.869 0.000 . . . . . . 72 THR CA . 25878 1 726 . 1 1 72 72 THR CB C 13 68.396 0.000 . . . . . . 72 THR CB . 25878 1 727 . 1 1 72 72 THR N N 15 115.335 0.000 . . . . . . 72 THR N . 25878 1 728 . 1 1 73 73 LEU H H 1 7.8 0.000 . . . . . . 73 LEU HN . 25878 1 729 . 1 1 73 73 LEU HA H 1 3.807 0.000 . . . . . . 73 LEU HA . 25878 1 730 . 1 1 73 73 LEU HB2 H 1 1.961 0.000 . . . . . . 73 LEU QB . 25878 1 731 . 1 1 73 73 LEU HB3 H 1 1.961 0.000 . . . . . . 73 LEU QB . 25878 1 732 . 1 1 73 73 LEU HD11 H 1 0.874 0.000 . . . . . . 73 LEU QQD . 25878 1 733 . 1 1 73 73 LEU HD12 H 1 0.874 0.000 . . . . . . 73 LEU QQD . 25878 1 734 . 1 1 73 73 LEU HD13 H 1 0.874 0.000 . . . . . . 73 LEU QQD . 25878 1 735 . 1 1 73 73 LEU HD21 H 1 0.874 0.000 . . . . . . 73 LEU QQD . 25878 1 736 . 1 1 73 73 LEU HD22 H 1 0.874 0.000 . . . . . . 73 LEU QQD . 25878 1 737 . 1 1 73 73 LEU HD23 H 1 0.874 0.000 . . . . . . 73 LEU QQD . 25878 1 738 . 1 1 73 73 LEU HG H 1 1.727 0.000 . . . . . . 73 LEU HG . 25878 1 739 . 1 1 73 73 LEU C C 13 177.557 0.000 . . . . . . 73 LEU C . 25878 1 740 . 1 1 73 73 LEU CA C 13 59.043 0.000 . . . . . . 73 LEU CA . 25878 1 741 . 1 1 73 73 LEU CB C 13 42.118 0.000 . . . . . . 73 LEU CB . 25878 1 742 . 1 1 73 73 LEU N N 15 122.457 0.000 . . . . . . 73 LEU N . 25878 1 743 . 1 1 74 74 ALA H H 1 8.628 0.000 . . . . . . 74 ALA HN . 25878 1 744 . 1 1 74 74 ALA HA H 1 3.713 0.000 . . . . . . 74 ALA HA . 25878 1 745 . 1 1 74 74 ALA HB1 H 1 0.866 0.000 . . . . . . 74 ALA QB . 25878 1 746 . 1 1 74 74 ALA HB2 H 1 0.866 0.000 . . . . . . 74 ALA QB . 25878 1 747 . 1 1 74 74 ALA HB3 H 1 0.866 0.000 . . . . . . 74 ALA QB . 25878 1 748 . 1 1 74 74 ALA C C 13 179.557 0.000 . . . . . . 74 ALA C . 25878 1 749 . 1 1 74 74 ALA CA C 13 54.971 0.000 . . . . . . 74 ALA CA . 25878 1 750 . 1 1 74 74 ALA CB C 13 18.386 0.000 . . . . . . 74 ALA CB . 25878 1 751 . 1 1 74 74 ALA N N 15 119.844 0.000 . . . . . . 74 ALA N . 25878 1 752 . 1 1 75 75 ALA H H 1 8.542 0.000 . . . . . . 75 ALA HN . 25878 1 753 . 1 1 75 75 ALA HA H 1 3.807 0.000 . . . . . . 75 ALA HA . 25878 1 754 . 1 1 75 75 ALA HB1 H 1 1.351 0.000 . . . . . . 75 ALA QB . 25878 1 755 . 1 1 75 75 ALA HB2 H 1 1.351 0.000 . . . . . . 75 ALA QB . 25878 1 756 . 1 1 75 75 ALA HB3 H 1 1.351 0.000 . . . . . . 75 ALA QB . 25878 1 757 . 1 1 75 75 ALA C C 13 179.032 0.000 . . . . . . 75 ALA C . 25878 1 758 . 1 1 75 75 ALA CA C 13 55.289 0.000 . . . . . . 75 ALA CA . 25878 1 759 . 1 1 75 75 ALA CB C 13 18.195 0.000 . . . . . . 75 ALA CB . 25878 1 760 . 1 1 75 75 ALA N N 15 118.829 0.000 . . . . . . 75 ALA N . 25878 1 761 . 1 1 76 76 ARG H H 1 7.269 0.000 . . . . . . 76 ARG HN . 25878 1 762 . 1 1 76 76 ARG HA H 1 3.917 0.000 . . . . . . 76 ARG HA . 25878 1 763 . 1 1 76 76 ARG HB2 H 1 1.601 0.000 . . . . . . 76 ARG HB2 . 25878 1 764 . 1 1 76 76 ARG HB3 H 1 1.428 0.000 . . . . . . 76 ARG HB3 . 25878 1 765 . 1 1 76 76 ARG HD2 H 1 2.869 0.000 . . . . . . 76 ARG QD . 25878 1 766 . 1 1 76 76 ARG HD3 H 1 2.869 0.000 . . . . . . 76 ARG QD . 25878 1 767 . 1 1 76 76 ARG HG2 H 1 1.296 0.000 . . . . . . 76 ARG HG2 . 25878 1 768 . 1 1 76 76 ARG HG3 H 1 1.138 0.000 . . . . . . 76 ARG HG3 . 25878 1 769 . 1 1 76 76 ARG C C 13 176.887 0.000 . . . . . . 76 ARG C . 25878 1 770 . 1 1 76 76 ARG CA C 13 57.771 0.000 . . . . . . 76 ARG CA . 25878 1 771 . 1 1 76 76 ARG CB C 13 29.075 0.000 . . . . . . 76 ARG CB . 25878 1 772 . 1 1 76 76 ARG N N 15 114.862 0.000 . . . . . . 76 ARG N . 25878 1 773 . 1 1 77 77 PHE H H 1 7.398 0.000 . . . . . . 77 PHE HN . 25878 1 774 . 1 1 77 77 PHE HA H 1 4.339 0.000 . . . . . . 77 PHE HA . 25878 1 775 . 1 1 77 77 PHE HB2 H 1 2.571 0.000 . . . . . . 77 PHE HB2 . 25878 1 776 . 1 1 77 77 PHE HB3 H 1 2.415 0.000 . . . . . . 77 PHE HB3 . 25878 1 777 . 1 1 77 77 PHE C C 13 176.049 0.000 . . . . . . 77 PHE C . 25878 1 778 . 1 1 77 77 PHE CA C 13 58.916 0.000 . . . . . . 77 PHE CA . 25878 1 779 . 1 1 77 77 PHE CB C 13 39.51 0.000 . . . . . . 77 PHE CB . 25878 1 780 . 1 1 77 77 PHE N N 15 115.571 0.000 . . . . . . 77 PHE N . 25878 1 781 . 1 1 78 78 LEU H H 1 7.655 0.000 . . . . . . 78 LEU HN . 25878 1 782 . 1 1 78 78 LEU HA H 1 4.245 0.000 . . . . . . 78 LEU HA . 25878 1 783 . 1 1 78 78 LEU HB2 H 1 1.742 0.000 . . . . . . 78 LEU QB . 25878 1 784 . 1 1 78 78 LEU HB3 H 1 1.742 0.000 . . . . . . 78 LEU QB . 25878 1 785 . 1 1 78 78 LEU HD11 H 1 0.815 0.000 . . . . . . 78 LEU QQD . 25878 1 786 . 1 1 78 78 LEU HD12 H 1 0.815 0.000 . . . . . . 78 LEU QQD . 25878 1 787 . 1 1 78 78 LEU HD13 H 1 0.815 0.000 . . . . . . 78 LEU QQD . 25878 1 788 . 1 1 78 78 LEU HD21 H 1 0.815 0.000 . . . . . . 78 LEU QQD . 25878 1 789 . 1 1 78 78 LEU HD22 H 1 0.815 0.000 . . . . . . 78 LEU QQD . 25878 1 790 . 1 1 78 78 LEU HD23 H 1 0.815 0.000 . . . . . . 78 LEU QQD . 25878 1 791 . 1 1 78 78 LEU HG H 1 1.57 0.000 . . . . . . 78 LEU HG . 25878 1 792 . 1 1 78 78 LEU C C 13 177.446 0.000 . . . . . . 78 LEU C . 25878 1 793 . 1 1 78 78 LEU CA C 13 55.862 0.000 . . . . . . 78 LEU CA . 25878 1 794 . 1 1 78 78 LEU CB C 13 42.118 0.000 . . . . . . 78 LEU CB . 25878 1 795 . 1 1 78 78 LEU N N 15 118.176 0.000 . . . . . . 78 LEU N . 25878 1 796 . 1 1 79 79 THR H H 1 7.585 0.000 . . . . . . 79 THR HN . 25878 1 797 . 1 1 79 79 THR HA H 1 4.401 0.000 . . . . . . 79 THR HA . 25878 1 798 . 1 1 79 79 THR HB H 1 4.245 0.000 . . . . . . 79 THR HB . 25878 1 799 . 1 1 79 79 THR HG21 H 1 1.163 0.000 . . . . . . 79 THR QG2 . 25878 1 800 . 1 1 79 79 THR HG22 H 1 1.163 0.000 . . . . . . 79 THR QG2 . 25878 1 801 . 1 1 79 79 THR HG23 H 1 1.163 0.000 . . . . . . 79 THR QG2 . 25878 1 802 . 1 1 79 79 THR C C 13 174.429 0.000 . . . . . . 79 THR C . 25878 1 803 . 1 1 79 79 THR CA C 13 61.779 0.000 . . . . . . 79 THR CA . 25878 1 804 . 1 1 79 79 THR CB C 13 69.86 0.000 . . . . . . 79 THR CB . 25878 1 805 . 1 1 79 79 THR N N 15 110.987 0.000 . . . . . . 79 THR N . 25878 1 806 . 1 1 80 80 GLU H H 1 8.123 0.000 . . . . . . 80 GLU HN . 25878 1 807 . 1 1 80 80 GLU HA H 1 4.339 0.000 . . . . . . 80 GLU HA . 25878 1 808 . 1 1 80 80 GLU HB2 H 1 2.274 0.000 . . . . . . 80 GLU HB2 . 25878 1 809 . 1 1 80 80 GLU HB3 H 1 2.008 0.000 . . . . . . 80 GLU HB3 . 25878 1 810 . 1 1 80 80 GLU C C 13 176.094 0.000 . . . . . . 80 GLU C . 25878 1 811 . 1 1 80 80 GLU CA C 13 56.562 0.000 . . . . . . 80 GLU CA . 25878 1 812 . 1 1 80 80 GLU CB C 13 30.284 0.000 . . . . . . 80 GLU CB . 25878 1 813 . 1 1 80 80 GLU N N 15 122.836 0.000 . . . . . . 80 GLU N . 25878 1 814 . 1 1 81 81 ASP H H 1 8.408 0.001 . . . . . . 81 ASP HN . 25878 1 815 . 1 1 81 81 ASP HA H 1 4.66 0.000 . . . . . . 81 ASP HA . 25878 1 816 . 1 1 81 81 ASP HB2 H 1 2.748 0.000 . . . . . . 81 ASP HB2 . 25878 1 817 . 1 1 81 81 ASP HB3 H 1 2.641 0.000 . . . . . . 81 ASP HB3 . 25878 1 818 . 1 1 81 81 ASP C C 13 175.926 0.000 . . . . . . 81 ASP C . 25878 1 819 . 1 1 81 81 ASP CA C 13 54.335 0.000 . . . . . . 81 ASP CA . 25878 1 820 . 1 1 81 81 ASP CB C 13 41.125 0.000 . . . . . . 81 ASP CB . 25878 1 821 . 1 1 81 81 ASP N N 15 121.984 0.096 . . . . . . 81 ASP N . 25878 1 822 . 1 1 82 82 ASN H H 1 8.455 0.000 . . . . . . 82 ASN HN . 25878 1 823 . 1 1 82 82 ASN HA H 1 4.777 0.000 . . . . . . 82 ASN HA . 25878 1 824 . 1 1 82 82 ASN HB2 H 1 2.806 0.000 . . . . . . 82 ASN QB . 25878 1 825 . 1 1 82 82 ASN HB3 H 1 2.806 0.000 . . . . . . 82 ASN QB . 25878 1 826 . 1 1 82 82 ASN C C 13 175.367 0.000 . . . . . . 82 ASN C . 25878 1 827 . 1 1 82 82 ASN CA C 13 53.253 0.000 . . . . . . 82 ASN CA . 25878 1 828 . 1 1 82 82 ASN CB C 13 39.064 0.000 . . . . . . 82 ASN CB . 25878 1 829 . 1 1 82 82 ASN N N 15 119.93 0.000 . . . . . . 82 ASN N . 25878 1 830 . 1 1 83 83 GLU H H 1 8.479 0.000 . . . . . . 83 GLU HN . 25878 1 831 . 1 1 83 83 GLU HA H 1 4.294 0.000 . . . . . . 83 GLU HA . 25878 1 832 . 1 1 83 83 GLU HB2 H 1 2.076 0.000 . . . . . . 83 GLU HB2 . 25878 1 833 . 1 1 83 83 GLU HB3 H 1 1.957 0.000 . . . . . . 83 GLU HB3 . 25878 1 834 . 1 1 83 83 GLU HG2 H 1 2.263 0.000 . . . . . . 83 GLU QG . 25878 1 835 . 1 1 83 83 GLU HG3 H 1 2.263 0.000 . . . . . . 83 GLU QG . 25878 1 836 . 1 1 83 83 GLU C C 13 176.664 0.000 . . . . . . 83 GLU C . 25878 1 837 . 1 1 83 83 GLU CA C 13 56.816 0.000 . . . . . . 83 GLU CA . 25878 1 838 . 1 1 83 83 GLU CB C 13 30.093 0.000 . . . . . . 83 GLU CB . 25878 1 839 . 1 1 83 83 GLU N N 15 121.769 0.000 . . . . . . 83 GLU N . 25878 1 840 . 1 1 84 84 GLU H H 1 8.488 0.000 . . . . . . 84 GLU HN . 25878 1 841 . 1 1 84 84 GLU HA H 1 4.276 0.000 . . . . . . 84 GLU HA . 25878 1 842 . 1 1 84 84 GLU HB2 H 1 1.992 0.000 . . . . . . 84 GLU QB . 25878 1 843 . 1 1 84 84 GLU HB3 H 1 1.992 0.000 . . . . . . 84 GLU QB . 25878 1 844 . 1 1 84 84 GLU HG2 H 1 2.305 0.000 . . . . . . 84 GLU QG . 25878 1 845 . 1 1 84 84 GLU HG3 H 1 2.305 0.000 . . . . . . 84 GLU QG . 25878 1 846 . 1 1 84 84 GLU C C 13 176.429 0.000 . . . . . . 84 GLU C . 25878 1 847 . 1 1 84 84 GLU CA C 13 56.78 0.000 . . . . . . 84 GLU CA . 25878 1 848 . 1 1 84 84 GLU CB C 13 30.208 0.000 . . . . . . 84 GLU CB . 25878 1 849 . 1 1 84 84 GLU N N 15 122.062 0.000 . . . . . . 84 GLU N . 25878 1 850 . 1 1 85 85 ASP H H 1 8.405 0.001 . . . . . . 85 ASP HN . 25878 1 851 . 1 1 85 85 ASP HA H 1 4.652 0.000 . . . . . . 85 ASP HA . 25878 1 852 . 1 1 85 85 ASP HB2 H 1 2.749 0.000 . . . . . . 85 ASP HB2 . 25878 1 853 . 1 1 85 85 ASP HB3 H 1 2.644 0.000 . . . . . . 85 ASP HB3 . 25878 1 854 . 1 1 85 85 ASP C C 13 176.429 0.000 . . . . . . 85 ASP C . 25878 1 855 . 1 1 85 85 ASP CA C 13 54.481 0.000 . . . . . . 85 ASP CA . 25878 1 856 . 1 1 85 85 ASP CB C 13 41.137 0.000 . . . . . . 85 ASP CB . 25878 1 857 . 1 1 85 85 ASP N N 15 121.787 0.000 . . . . . . 85 ASP N . 25878 1 858 . 1 1 86 86 SER H H 1 8.257 0.000 . . . . . . 86 SER HN . 25878 1 859 . 1 1 86 86 SER HA H 1 4.417 0.000 . . . . . . 86 SER HA . 25878 1 860 . 1 1 86 86 SER HB2 H 1 3.917 0.000 . . . . . . 86 SER QB . 25878 1 861 . 1 1 86 86 SER HB3 H 1 3.917 0.000 . . . . . . 86 SER QB . 25878 1 862 . 1 1 86 86 SER C C 13 174.217 0.000 . . . . . . 86 SER C . 25878 1 863 . 1 1 86 86 SER CA C 13 58.519 0.000 . . . . . . 86 SER CA . 25878 1 864 . 1 1 86 86 SER CB C 13 63.906 0.000 . . . . . . 86 SER CB . 25878 1 865 . 1 1 86 86 SER N N 15 116.576 0.000 . . . . . . 86 SER N . 25878 1 866 . 1 1 87 87 ALA H H 1 8.3 0.000 . . . . . . 87 ALA HN . 25878 1 867 . 1 1 87 87 ALA HA H 1 4.37 0.000 . . . . . . 87 ALA HA . 25878 1 868 . 1 1 87 87 ALA HB1 H 1 1.414 0.000 . . . . . . 87 ALA QB . 25878 1 869 . 1 1 87 87 ALA HB2 H 1 1.414 0.000 . . . . . . 87 ALA QB . 25878 1 870 . 1 1 87 87 ALA HB3 H 1 1.414 0.000 . . . . . . 87 ALA QB . 25878 1 871 . 1 1 87 87 ALA C C 13 176.485 0.000 . . . . . . 87 ALA C . 25878 1 872 . 1 1 87 87 ALA CA C 13 52.553 0.000 . . . . . . 87 ALA CA . 25878 1 873 . 1 1 87 87 ALA CB C 13 19.404 0.000 . . . . . . 87 ALA CB . 25878 1 874 . 1 1 87 87 ALA N N 15 126.619 0.000 . . . . . . 87 ALA N . 25878 1 875 . 1 1 88 88 ALA H H 1 7.869 0.000 . . . . . . 88 ALA HN . 25878 1 876 . 1 1 88 88 ALA HA H 1 4.104 0.000 . . . . . . 88 ALA HA . 25878 1 877 . 1 1 88 88 ALA HB1 H 1 1.335 0.000 . . . . . . 88 ALA QB . 25878 1 878 . 1 1 88 88 ALA HB2 H 1 1.335 0.000 . . . . . . 88 ALA QB . 25878 1 879 . 1 1 88 88 ALA HB3 H 1 1.335 0.000 . . . . . . 88 ALA QB . 25878 1 880 . 1 1 88 88 ALA C C 13 172.697 0.000 . . . . . . 88 ALA C . 25878 1 881 . 1 1 88 88 ALA CA C 13 53.889 0.000 . . . . . . 88 ALA CA . 25878 1 882 . 1 1 88 88 ALA CB C 13 20.167 0.000 . . . . . . 88 ALA CB . 25878 1 883 . 1 1 88 88 ALA N N 15 129.112 0.000 . . . . . . 88 ALA N . 25878 1 stop_ save_