data_15666 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15666 _Entry.Title ; Mutant Collision E7 protein IM7 with an extended helix III in M Urea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-20 _Entry.Accession_date 2008-02-20 _Entry.Last_release_date 2009-11-10 _Entry.Original_release_date 2009-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Angelo Figueiredo . MMP . 15666 2 Sara Whittaker . B. . 15666 3 Stuart Knowling . . . 15666 4 Sheena Radford . E. . 15666 5 Geoffrey Moore . R. . 15666 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15666 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 175 15666 '15N chemical shifts' 88 15666 '1H chemical shifts' 88 15666 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-11-10 2008-02-20 original author . 15666 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15666 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19651139 _Citation.Full_citation . _Citation.Title 'Amino acid insertion reveals a necessary three-helical intermediate in the folding pathway of the colicin E7 immunity protein Im7.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 392 _Citation.Journal_issue 4 _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 1074 _Citation.Page_last 1086 _Citation.Year 2009 _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.Entry_ID _Citation_author.Citation_ID 1 Stuart Knowling . E. . 15666 1 2 'Angelo Miguel' Figueiredo . . . 15666 1 3 'Sara B-M' Whittaker . . . 15666 1 4 Geoffrey Moore . R. . 15666 1 5 Sheena Radford . E. . 15666 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15666 _Assembly.ID 1 _Assembly.Name 'Im7 mutant' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Im7 mutant' 1 $Im7_mutant A . yes unfolded no no . . . 15666 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Im7_mutant _Entity.Sf_category entity _Entity.Sf_framecode Im7_mutant _Entity.Entry_ID 15666 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Im7_mutant _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 ; MEHHHHHHELKNSISDYTEA EFVQLLKEIEKENVAATDDV LDVLLEHFVKITEHPDGTAL IYEAAARAAANPGGDGGGPE GIVKEIKEWRAANGKPGFKQ G ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15645 . Im7_mutant . . . . . 100.00 101 100.00 100.00 1.82e-65 . . . . 15666 1 2 no PDB 2K0D . "Nmr Structure Of A Mutant Colicin E7 Immunity Protein Im7 With An Extended Helix Iii" . . . . . 100.00 101 100.00 100.00 1.82e-65 . . . . 15666 1 3 no GB EYB47026 . "colicin immunity protein, partial [Escherichia coli]" . . . . . 51.49 53 98.08 98.08 1.72e-25 . . . . 15666 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15666 1 2 . GLU . 15666 1 3 . HIS . 15666 1 4 . HIS . 15666 1 5 . HIS . 15666 1 6 . HIS . 15666 1 7 . HIS . 15666 1 8 . HIS . 15666 1 9 . GLU . 15666 1 10 . LEU . 15666 1 11 . LYS . 15666 1 12 . ASN . 15666 1 13 . SER . 15666 1 14 . ILE . 15666 1 15 . SER . 15666 1 16 . ASP . 15666 1 17 . TYR . 15666 1 18 . THR . 15666 1 19 . GLU . 15666 1 20 . ALA . 15666 1 21 . GLU . 15666 1 22 . PHE . 15666 1 23 . VAL . 15666 1 24 . GLN . 15666 1 25 . LEU . 15666 1 26 . LEU . 15666 1 27 . LYS . 15666 1 28 . GLU . 15666 1 29 . ILE . 15666 1 30 . GLU . 15666 1 31 . LYS . 15666 1 32 . GLU . 15666 1 33 . ASN . 15666 1 34 . VAL . 15666 1 35 . ALA . 15666 1 36 . ALA . 15666 1 37 . THR . 15666 1 38 . ASP . 15666 1 39 . ASP . 15666 1 40 . VAL . 15666 1 41 . LEU . 15666 1 42 . ASP . 15666 1 43 . VAL . 15666 1 44 . LEU . 15666 1 45 . LEU . 15666 1 46 . GLU . 15666 1 47 . HIS . 15666 1 48 . PHE . 15666 1 49 . VAL . 15666 1 50 . LYS . 15666 1 51 . ILE . 15666 1 52 . THR . 15666 1 53 . GLU . 15666 1 54 . HIS . 15666 1 55 . PRO . 15666 1 56 . ASP . 15666 1 57 . GLY . 15666 1 58 . THR . 15666 1 59 . ALA . 15666 1 60 . LEU . 15666 1 61 . ILE . 15666 1 62 . TYR . 15666 1 63 . GLU . 15666 1 64 . ALA . 15666 1 65 . ALA . 15666 1 66 . ALA . 15666 1 67 . ARG . 15666 1 68 . ALA . 15666 1 69 . ALA . 15666 1 70 . ALA . 15666 1 71 . ASN . 15666 1 72 . PRO . 15666 1 73 . GLY . 15666 1 74 . GLY . 15666 1 75 . ASP . 15666 1 76 . GLY . 15666 1 77 . GLY . 15666 1 78 . GLY . 15666 1 79 . PRO . 15666 1 80 . GLU . 15666 1 81 . GLY . 15666 1 82 . ILE . 15666 1 83 . VAL . 15666 1 84 . LYS . 15666 1 85 . GLU . 15666 1 86 . ILE . 15666 1 87 . LYS . 15666 1 88 . GLU . 15666 1 89 . TRP . 15666 1 90 . ARG . 15666 1 91 . ALA . 15666 1 92 . ALA . 15666 1 93 . ASN . 15666 1 94 . GLY . 15666 1 95 . LYS . 15666 1 96 . PRO . 15666 1 97 . GLY . 15666 1 98 . PHE . 15666 1 99 . LYS . 15666 1 100 . GLN . 15666 1 101 . GLY . 15666 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 15666 1 . GLU 2 2 15666 1 . HIS 3 3 15666 1 . HIS 4 4 15666 1 . HIS 5 5 15666 1 . HIS 6 6 15666 1 . HIS 7 7 15666 1 . HIS 8 8 15666 1 . GLU 9 9 15666 1 . LEU 10 10 15666 1 . LYS 11 11 15666 1 . ASN 12 12 15666 1 . SER 13 13 15666 1 . ILE 14 14 15666 1 . SER 15 15 15666 1 . ASP 16 16 15666 1 . TYR 17 17 15666 1 . THR 18 18 15666 1 . GLU 19 19 15666 1 . ALA 20 20 15666 1 . GLU 21 21 15666 1 . PHE 22 22 15666 1 . VAL 23 23 15666 1 . GLN 24 24 15666 1 . LEU 25 25 15666 1 . LEU 26 26 15666 1 . LYS 27 27 15666 1 . GLU 28 28 15666 1 . ILE 29 29 15666 1 . GLU 30 30 15666 1 . LYS 31 31 15666 1 . GLU 32 32 15666 1 . ASN 33 33 15666 1 . VAL 34 34 15666 1 . ALA 35 35 15666 1 . ALA 36 36 15666 1 . THR 37 37 15666 1 . ASP 38 38 15666 1 . ASP 39 39 15666 1 . VAL 40 40 15666 1 . LEU 41 41 15666 1 . ASP 42 42 15666 1 . VAL 43 43 15666 1 . LEU 44 44 15666 1 . LEU 45 45 15666 1 . GLU 46 46 15666 1 . HIS 47 47 15666 1 . PHE 48 48 15666 1 . VAL 49 49 15666 1 . LYS 50 50 15666 1 . ILE 51 51 15666 1 . THR 52 52 15666 1 . GLU 53 53 15666 1 . HIS 54 54 15666 1 . PRO 55 55 15666 1 . ASP 56 56 15666 1 . GLY 57 57 15666 1 . THR 58 58 15666 1 . ALA 59 59 15666 1 . LEU 60 60 15666 1 . ILE 61 61 15666 1 . TYR 62 62 15666 1 . GLU 63 63 15666 1 . ALA 64 64 15666 1 . ALA 65 65 15666 1 . ALA 66 66 15666 1 . ARG 67 67 15666 1 . ALA 68 68 15666 1 . ALA 69 69 15666 1 . ALA 70 70 15666 1 . ASN 71 71 15666 1 . PRO 72 72 15666 1 . GLY 73 73 15666 1 . GLY 74 74 15666 1 . ASP 75 75 15666 1 . GLY 76 76 15666 1 . GLY 77 77 15666 1 . GLY 78 78 15666 1 . PRO 79 79 15666 1 . GLU 80 80 15666 1 . GLY 81 81 15666 1 . ILE 82 82 15666 1 . VAL 83 83 15666 1 . LYS 84 84 15666 1 . GLU 85 85 15666 1 . ILE 86 86 15666 1 . LYS 87 87 15666 1 . GLU 88 88 15666 1 . TRP 89 89 15666 1 . ARG 90 90 15666 1 . ALA 91 91 15666 1 . ALA 92 92 15666 1 . ASN 93 93 15666 1 . GLY 94 94 15666 1 . LYS 95 95 15666 1 . PRO 96 96 15666 1 . GLY 97 97 15666 1 . PHE 98 98 15666 1 . LYS 99 99 15666 1 . GLN 100 100 15666 1 . GLY 101 101 15666 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 15666 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Im7_mutant . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15666 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 15666 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Im7_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . JM109 . . . . . . 15666 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15666 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Im7 mutant in 6 M UREA' _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 'Im7 mutant' '[U-13C; U-15N]' . . 1 $Im7_mutant . . 1 . . mM . . . . 15666 1 2 H2O . . . . . . . 95 . . % . . . . 15666 1 3 D2O . . . . . . . 5 . . % . . . . 15666 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 15666 _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' 50 . mM 15666 1 pH* 7 . pH 15666 1 pressure 1 . atm 15666 1 temperature 298 . K 15666 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15666 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15666 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15666 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15666 _Software.ID 2 _Software.Name NMRView _Software.Version 5.1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15666 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15666 2 'peak picking' 15666 2 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 15666 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15666 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15666 _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 . 800 . . . 15666 1 2 spectrometer_2 Varian INOVA . 500 . . . 15666 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 15666 _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 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15666 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15666 1 3 '3D HNN' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15666 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 15666 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15666 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15666 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15666 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 15666 _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 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.002 _Assigned_chem_shift_list.Chem_shift_15N_err 0.002 _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 '3D CBCANH' . . . 15666 1 2 '3D CBCA(CO)NH' . . . 15666 1 3 '3D HNN' . . . 15666 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 15666 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 9 9 GLU H H 1 8.547 0.002 . 1 . . . . 2 E HN . 15666 1 2 . 1 1 9 9 GLU CA C 13 56.489 0.002 . 1 . . . . 2 E CA . 15666 1 3 . 1 1 9 9 GLU CB C 13 30.633 0.002 . 1 . . . . 2 E CB . 15666 1 4 . 1 1 9 9 GLU N N 15 121.671 0.002 . 1 . . . . 2 E N . 15666 1 5 . 1 1 10 10 LEU H H 1 8.447 0.002 . 1 . . . . 3 L HN . 15666 1 6 . 1 1 10 10 LEU CA C 13 55.226 0.002 . 1 . . . . 3 L CA . 15666 1 7 . 1 1 10 10 LEU CB C 13 42.312 0.002 . 1 . . . . 3 L CB . 15666 1 8 . 1 1 10 10 LEU N N 15 124.123 0.002 . 1 . . . . 3 L N . 15666 1 9 . 1 1 11 11 LYS H H 1 8.506 0.002 . 1 . . . . 4 K HN . 15666 1 10 . 1 1 11 11 LYS CA C 13 56.400 0.002 . 1 . . . . 4 K CA . 15666 1 11 . 1 1 11 11 LYS CB C 13 33.217 0.002 . 1 . . . . 4 K CB . 15666 1 12 . 1 1 11 11 LYS N N 15 122.749 0.002 . 1 . . . . 4 K N . 15666 1 13 . 1 1 12 12 ASN H H 1 8.601 0.002 . 1 . . . . 5 N HN . 15666 1 14 . 1 1 12 12 ASN CA C 13 53.340 0.002 . 1 . . . . 5 N CA . 15666 1 15 . 1 1 12 12 ASN CB C 13 39.145 0.002 . 1 . . . . 5 N CB . 15666 1 16 . 1 1 12 12 ASN N N 15 120.321 0.002 . 1 . . . . 5 N N . 15666 1 17 . 1 1 13 13 SER H H 1 8.424 0.002 . 1 . . . . 6 S HN . 15666 1 18 . 1 1 13 13 SER CA C 13 58.362 0.002 . 1 . . . . 6 S CA . 15666 1 19 . 1 1 13 13 SER CB C 13 64.191 0.002 . 1 . . . . 6 S CB . 15666 1 20 . 1 1 13 13 SER N N 15 116.523 0.002 . 1 . . . . 6 S N . 15666 1 21 . 1 1 14 14 ILE H H 1 8.310 0.002 . 1 . . . . 7 I HN . 15666 1 22 . 1 1 14 14 ILE CA C 13 61.491 0.002 . 1 . . . . 7 I CA . 15666 1 23 . 1 1 14 14 ILE CB C 13 38.868 0.002 . 1 . . . . 7 I CB . 15666 1 24 . 1 1 14 14 ILE N N 15 122.421 0.002 . 1 . . . . 7 I N . 15666 1 25 . 1 1 15 15 SER H H 1 8.385 0.002 . 1 . . . . 8 S HN . 15666 1 26 . 1 1 15 15 SER CA C 13 58.364 0.002 . 1 . . . . 8 S CA . 15666 1 27 . 1 1 15 15 SER CB C 13 64.224 0.002 . 1 . . . . 8 S CB . 15666 1 28 . 1 1 15 15 SER N N 15 119.295 0.002 . 1 . . . . 8 S N . 15666 1 29 . 1 1 16 16 ASP H H 1 8.359 0.002 . 1 . . . . 9 D HN . 15666 1 30 . 1 1 16 16 ASP CA C 13 54.507 0.002 . 1 . . . . 9 D CA . 15666 1 31 . 1 1 16 16 ASP CB C 13 41.422 0.002 . 1 . . . . 9 D CB . 15666 1 32 . 1 1 16 16 ASP N N 15 122.637 0.002 . 1 . . . . 9 D N . 15666 1 33 . 1 1 17 17 TYR H H 1 8.203 0.002 . 1 . . . . 10 Y HN . 15666 1 34 . 1 1 17 17 TYR CA C 13 58.128 0.002 . 1 . . . . 10 Y CA . 15666 1 35 . 1 1 17 17 TYR CB C 13 38.853 0.002 . 1 . . . . 10 Y CB . 15666 1 36 . 1 1 17 17 TYR N N 15 120.699 0.002 . 1 . . . . 10 Y N . 15666 1 37 . 1 1 18 18 THR H H 1 8.200 0.002 . 1 . . . . 11 T HN . 15666 1 38 . 1 1 18 18 THR CA C 13 61.966 0.002 . 1 . . . . 11 T CA . 15666 1 39 . 1 1 18 18 THR CB C 13 70.279 0.002 . 1 . . . . 11 T CB . 15666 1 40 . 1 1 18 18 THR N N 15 116.796 0.002 . 1 . . . . 11 T N . 15666 1 41 . 1 1 19 19 GLU H H 1 8.455 0.002 . 1 . . . . 12 E HN . 15666 1 42 . 1 1 19 19 GLU CA C 13 56.896 0.002 . 1 . . . . 12 E CA . 15666 1 43 . 1 1 19 19 GLU CB C 13 30.328 0.002 . 1 . . . . 12 E CB . 15666 1 44 . 1 1 19 19 GLU N N 15 123.580 0.002 . 1 . . . . 12 E N . 15666 1 45 . 1 1 20 20 ALA H H 1 8.328 0.002 . 1 . . . . 13 A HN . 15666 1 46 . 1 1 20 20 ALA CA C 13 52.935 0.002 . 1 . . . . 13 A CA . 15666 1 47 . 1 1 20 20 ALA CB C 13 19.296 0.002 . 1 . . . . 13 A CB . 15666 1 48 . 1 1 20 20 ALA N N 15 124.705 0.002 . 1 . . . . 13 A N . 15666 1 49 . 1 1 21 21 GLU H H 1 8.367 0.002 . 1 . . . . 14 E HN . 15666 1 50 . 1 1 21 21 GLU CA C 13 57.028 0.002 . 1 . . . . 14 E CA . 15666 1 51 . 1 1 21 21 GLU CB C 13 30.535 0.002 . 1 . . . . 14 E CB . 15666 1 52 . 1 1 21 21 GLU N N 15 119.973 0.002 . 1 . . . . 14 E N . 15666 1 53 . 1 1 22 22 PHE H H 1 8.319 0.002 . 1 . . . . 15 F HN . 15666 1 54 . 1 1 22 22 PHE CA C 13 57.959 0.002 . 1 . . . . 15 F CA . 15666 1 55 . 1 1 22 22 PHE CB C 13 39.588 0.002 . 1 . . . . 15 F CB . 15666 1 56 . 1 1 22 22 PHE N N 15 121.436 0.002 . 1 . . . . 15 F N . 15666 1 57 . 1 1 23 23 VAL H H 1 8.094 0.002 . 1 . . . . 16 V HN . 15666 1 58 . 1 1 23 23 VAL CA C 13 62.621 0.002 . 1 . . . . 16 V CA . 15666 1 59 . 1 1 23 23 VAL CB C 13 32.913 0.002 . 1 . . . . 16 V CB . 15666 1 60 . 1 1 23 23 VAL N N 15 122.807 0.002 . 1 . . . . 16 V N . 15666 1 61 . 1 1 24 24 GLN H H 1 8.394 0.002 . 1 . . . . 17 Q HN . 15666 1 62 . 1 1 24 24 GLN CA C 13 56.016 0.002 . 1 . . . . 17 Q CA . 15666 1 63 . 1 1 24 24 GLN CB C 13 29.516 0.002 . 1 . . . . 17 Q CB . 15666 1 64 . 1 1 24 24 GLN N N 15 124.277 0.002 . 1 . . . . 17 Q N . 15666 1 65 . 1 1 25 25 LEU H H 1 8.373 0.002 . 1 . . . . 18 L HN . 15666 1 66 . 1 1 25 25 LEU CA C 13 55.326 0.002 . 1 . . . . 18 L CA . 15666 1 67 . 1 1 25 25 LEU CB C 13 42.455 0.002 . 1 . . . . 18 L CB . 15666 1 68 . 1 1 25 25 LEU N N 15 124.658 0.002 . 1 . . . . 18 L N . 15666 1 69 . 1 1 26 26 LEU H H 1 8.389 0.002 . 1 . . . . 19 L HN . 15666 1 70 . 1 1 26 26 LEU CA C 13 55.278 0.002 . 1 . . . . 19 L CA . 15666 1 71 . 1 1 26 26 LEU CB C 13 42.372 0.002 . 1 . . . . 19 L CB . 15666 1 72 . 1 1 26 26 LEU N N 15 123.655 0.002 . 1 . . . . 19 L N . 15666 1 73 . 1 1 27 27 LYS H H 1 8.426 0.002 . 1 . . . . 20 K HN . 15666 1 74 . 1 1 27 27 LYS CA C 13 56.668 0.002 . 1 . . . . 20 K CA . 15666 1 75 . 1 1 27 27 LYS CB C 13 33.323 0.002 . 1 . . . . 20 K CB . 15666 1 76 . 1 1 27 27 LYS N N 15 122.788 0.002 . 1 . . . . 20 K N . 15666 1 77 . 1 1 28 28 GLU H H 1 8.553 0.002 . 1 . . . . 21 E HN . 15666 1 78 . 1 1 28 28 GLU CA C 13 56.783 0.002 . 1 . . . . 21 E CA . 15666 1 79 . 1 1 28 28 GLU CB C 13 30.352 0.002 . 1 . . . . 21 E CB . 15666 1 80 . 1 1 28 28 GLU N N 15 122.813 0.002 . 1 . . . . 21 E N . 15666 1 81 . 1 1 29 29 ILE H H 1 8.284 0.002 . 1 . . . . 22 I HN . 15666 1 82 . 1 1 29 29 ILE CA C 13 61.497 0.002 . 1 . . . . 22 I CA . 15666 1 83 . 1 1 29 29 ILE CB C 13 38.837 0.002 . 1 . . . . 22 I CB . 15666 1 84 . 1 1 29 29 ILE N N 15 121.997 0.002 . 1 . . . . 22 I N . 15666 1 85 . 1 1 30 30 GLU H H 1 8.567 0.002 . 1 . . . . 23 E HN . 15666 1 86 . 1 1 30 30 GLU CA C 13 56.831 0.002 . 1 . . . . 23 E CA . 15666 1 87 . 1 1 30 30 GLU CB C 13 30.332 0.002 . 1 . . . . 23 E CB . 15666 1 88 . 1 1 30 30 GLU N N 15 125.286 0.002 . 1 . . . . 23 E N . 15666 1 89 . 1 1 31 31 LYS H H 1 8.407 0.002 . 1 . . . . 24 K HN . 15666 1 90 . 1 1 31 31 LYS CA C 13 56.709 0.002 . 1 . . . . 24 K CA . 15666 1 91 . 1 1 31 31 LYS CB C 13 33.322 0.002 . 1 . . . . 24 K CB . 15666 1 92 . 1 1 31 31 LYS N N 15 122.815 0.002 . 1 . . . . 24 K N . 15666 1 93 . 1 1 32 32 GLU H H 1 8.576 0.002 . 1 . . . . 25 E HN . 15666 1 94 . 1 1 32 32 GLU CA C 13 56.744 0.002 . 1 . . . . 25 E CA . 15666 1 95 . 1 1 32 32 GLU CB C 13 30.533 0.002 . 1 . . . . 25 E CB . 15666 1 96 . 1 1 32 32 GLU N N 15 122.081 0.002 . 1 . . . . 25 E N . 15666 1 97 . 1 1 33 33 ASN H H 1 8.646 0.002 . 1 . . . . 26 N HN . 15666 1 98 . 1 1 33 33 ASN CA C 13 53.271 0.002 . 1 . . . . 26 N CA . 15666 1 99 . 1 1 33 33 ASN CB C 13 38.993 0.002 . 1 . . . . 26 N CB . 15666 1 100 . 1 1 33 33 ASN N N 15 120.751 0.002 . 1 . . . . 26 N N . 15666 1 101 . 1 1 34 34 VAL H H 1 8.175 0.002 . 1 . . . . 27 V HN . 15666 1 102 . 1 1 34 34 VAL CA C 13 62.209 0.002 . 1 . . . . 27 V CA . 15666 1 103 . 1 1 34 34 VAL CB C 13 32.884 0.002 . 1 . . . . 27 V CB . 15666 1 104 . 1 1 34 34 VAL N N 15 120.898 0.002 . 1 . . . . 27 V N . 15666 1 105 . 1 1 35 35 ALA H H 1 8.441 0.002 . 1 . . . . 28 A HN . 15666 1 106 . 1 1 35 35 ALA CA C 13 52.375 0.002 . 1 . . . . 28 A CA . 15666 1 107 . 1 1 35 35 ALA CB C 13 19.369 0.002 . 1 . . . . 28 A CB . 15666 1 108 . 1 1 35 35 ALA N N 15 127.907 0.002 . 1 . . . . 28 A N . 15666 1 109 . 1 1 36 36 ALA H H 1 8.386 0.002 . 1 . . . . 29 A HN . 15666 1 110 . 1 1 36 36 ALA CA C 13 52.522 0.002 . 1 . . . . 29 A CA . 15666 1 111 . 1 1 36 36 ALA CB C 13 19.346 0.002 . 1 . . . . 29 A CB . 15666 1 112 . 1 1 36 36 ALA N N 15 124.154 0.002 . 1 . . . . 29 A N . 15666 1 113 . 1 1 37 37 THR H H 1 8.169 0.002 . 1 . . . . 30 T HN . 15666 1 114 . 1 1 37 37 THR CA C 13 61.583 0.002 . 1 . . . . 30 T CA . 15666 1 115 . 1 1 37 37 THR CB C 13 70.126 0.002 . 1 . . . . 30 T CB . 15666 1 116 . 1 1 37 37 THR N N 15 112.661 0.002 . 1 . . . . 30 T N . 15666 1 117 . 1 1 38 38 ASP H H 1 8.420 0.002 . 1 . . . . 31 D HN . 15666 1 118 . 1 1 38 38 ASP CA C 13 54.526 0.002 . 1 . . . . 31 D CA . 15666 1 119 . 1 1 38 38 ASP CB C 13 41.371 0.002 . 1 . . . . 31 D CB . 15666 1 120 . 1 1 38 38 ASP N N 15 122.161 0.002 . 1 . . . . 31 D N . 15666 1 121 . 1 1 39 39 ASP H H 1 8.376 0.002 . 1 . . . . 32 D HN . 15666 1 122 . 1 1 39 39 ASP CA C 13 54.570 0.002 . 1 . . . . 32 D CA . 15666 1 123 . 1 1 39 39 ASP CB C 13 41.412 0.002 . 1 . . . . 32 D CB . 15666 1 124 . 1 1 39 39 ASP N N 15 120.921 0.002 . 1 . . . . 32 D N . 15666 1 125 . 1 1 40 40 VAL H H 1 8.138 0.002 . 1 . . . . 33 V HN . 15666 1 126 . 1 1 40 40 VAL CA C 13 62.540 0.002 . 1 . . . . 33 V CA . 15666 1 127 . 1 1 40 40 VAL CB C 13 32.622 0.002 . 1 . . . . 33 V CB . 15666 1 128 . 1 1 40 40 VAL N N 15 120.301 0.002 . 1 . . . . 33 V N . 15666 1 129 . 1 1 41 41 LEU H H 1 8.357 0.002 . 1 . . . . 34 L HN . 15666 1 130 . 1 1 41 41 LEU CA C 13 55.251 0.002 . 1 . . . . 34 L CA . 15666 1 131 . 1 1 41 41 LEU CB C 13 42.602 0.002 . 1 . . . . 34 L CB . 15666 1 132 . 1 1 41 41 LEU N N 15 125.651 0.002 . 1 . . . . 34 L N . 15666 1 133 . 1 1 42 42 ASP H H 1 8.419 0.002 . 1 . . . . 35 D HN . 15666 1 134 . 1 1 42 42 ASP CA C 13 54.537 0.002 . 1 . . . . 35 D CA . 15666 1 135 . 1 1 42 42 ASP CB C 13 41.330 0.002 . 1 . . . . 35 D CB . 15666 1 136 . 1 1 42 42 ASP N N 15 121.788 0.002 . 1 . . . . 35 D N . 15666 1 137 . 1 1 43 43 VAL H H 1 8.055 0.002 . 1 . . . . 36 V HN . 15666 1 138 . 1 1 43 43 VAL CA C 13 62.524 0.002 . 1 . . . . 36 V CA . 15666 1 139 . 1 1 43 43 VAL CB C 13 32.775 0.002 . 1 . . . . 36 V CB . 15666 1 140 . 1 1 43 43 VAL N N 15 120.025 0.002 . 1 . . . . 36 V N . 15666 1 141 . 1 1 44 44 LEU H H 1 8.361 0.002 . 1 . . . . 37 L HN . 15666 1 142 . 1 1 44 44 LEU CA C 13 55.234 0.002 . 1 . . . . 37 L CA . 15666 1 143 . 1 1 44 44 LEU CB C 13 42.164 0.002 . 1 . . . . 37 L CB . 15666 1 144 . 1 1 44 44 LEU N N 15 125.410 0.002 . 1 . . . . 37 L N . 15666 1 145 . 1 1 45 45 LEU H H 1 8.258 0.002 . 1 . . . . 38 L HN . 15666 1 146 . 1 1 45 45 LEU CA C 13 55.219 0.002 . 1 . . . . 38 L CA . 15666 1 147 . 1 1 45 45 LEU CB C 13 42.451 0.002 . 1 . . . . 38 L CB . 15666 1 148 . 1 1 45 45 LEU N N 15 123.601 0.002 . 1 . . . . 38 L N . 15666 1 149 . 1 1 46 46 GLU H H 1 8.423 0.002 . 1 . . . . 39 E HN . 15666 1 150 . 1 1 46 46 GLU CA C 13 56.833 0.002 . 1 . . . . 39 E CA . 15666 1 151 . 1 1 46 46 GLU CB C 13 30.545 0.002 . 1 . . . . 39 E CB . 15666 1 152 . 1 1 46 46 GLU N N 15 121.502 0.002 . 1 . . . . 39 E N . 15666 1 153 . 1 1 47 47 HIS H H 1 8.358 0.002 . 1 . . . . 40 H HN . 15666 1 154 . 1 1 47 47 HIS CA C 13 56.181 0.002 . 1 . . . . 40 H CA . 15666 1 155 . 1 1 47 47 HIS CB C 13 30.800 0.002 . 1 . . . . 40 H CB . 15666 1 156 . 1 1 47 47 HIS N N 15 120.225 0.002 . 1 . . . . 40 H N . 15666 1 157 . 1 1 48 48 PHE H H 1 8.216 0.002 . 1 . . . . 41 F HN . 15666 1 158 . 1 1 48 48 PHE CA C 13 57.640 0.002 . 1 . . . . 41 F CA . 15666 1 159 . 1 1 48 48 PHE CB C 13 39.778 0.002 . 1 . . . . 41 F CB . 15666 1 160 . 1 1 48 48 PHE N N 15 121.846 0.002 . 1 . . . . 41 F N . 15666 1 161 . 1 1 49 49 VAL H H 1 8.204 0.002 . 1 . . . . 42 V HN . 15666 1 162 . 1 1 49 49 VAL CA C 13 62.248 0.002 . 1 . . . . 42 V CA . 15666 1 163 . 1 1 49 49 VAL CB C 13 33.014 0.002 . 1 . . . . 42 V CB . 15666 1 164 . 1 1 49 49 VAL N N 15 123.100 0.002 . 1 . . . . 42 V N . 15666 1 165 . 1 1 50 50 LYS H H 1 8.451 0.002 . 1 . . . . 43 K HN . 15666 1 166 . 1 1 50 50 LYS CA C 13 56.246 0.002 . 1 . . . . 43 K CA . 15666 1 167 . 1 1 50 50 LYS CB C 13 33.265 0.002 . 1 . . . . 43 K CB . 15666 1 168 . 1 1 50 50 LYS N N 15 126.375 0.002 . 1 . . . . 43 K N . 15666 1 169 . 1 1 51 51 ILE H H 1 8.492 0.002 . 1 . . . . 44 I HN . 15666 1 170 . 1 1 51 51 ILE CA C 13 61.169 0.002 . 1 . . . . 44 I CA . 15666 1 171 . 1 1 51 51 ILE CB C 13 38.801 0.002 . 1 . . . . 44 I CB . 15666 1 172 . 1 1 51 51 ILE N N 15 124.301 0.002 . 1 . . . . 44 I N . 15666 1 173 . 1 1 52 52 THR H H 1 8.371 0.002 . 1 . . . . 45 T HN . 15666 1 174 . 1 1 52 52 THR CA C 13 61.852 0.002 . 1 . . . . 45 T CA . 15666 1 175 . 1 1 52 52 THR CB C 13 69.982 0.002 . 1 . . . . 45 T CB . 15666 1 176 . 1 1 52 52 THR N N 15 119.032 0.002 . 1 . . . . 45 T N . 15666 1 177 . 1 1 53 53 GLU H H 1 8.462 0.002 . 1 . . . . 46 E HN . 15666 1 178 . 1 1 53 53 GLU CA C 13 56.533 0.002 . 1 . . . . 46 E CA . 15666 1 179 . 1 1 53 53 GLU CB C 13 30.753 0.002 . 1 . . . . 46 E CB . 15666 1 180 . 1 1 53 53 GLU N N 15 123.820 0.002 . 1 . . . . 46 E N . 15666 1 181 . 1 1 54 54 HIS H H 1 8.576 0.002 . 1 . . . . 47 H HN . 15666 1 182 . 1 1 54 54 HIS CA C 13 56.550 0.002 . 1 . . . . 47 H CA . 15666 1 183 . 1 1 54 54 HIS CB C 13 30.553 0.002 . 1 . . . . 47 H CB . 15666 1 184 . 1 1 54 54 HIS N N 15 122.574 0.002 . 1 . . . . 47 H N . 15666 1 185 . 1 1 55 55 PRO CA C 13 63.878 0.002 . 1 . . . . 48 P CA . 15666 1 186 . 1 1 55 55 PRO CB C 13 32.130 0.002 . 1 . . . . 48 P CB . 15666 1 187 . 1 1 56 56 ASP H H 1 8.922 0.002 . 1 . . . . 49 D HN . 15666 1 188 . 1 1 56 56 ASP CA C 13 54.524 0.002 . 1 . . . . 49 D CA . 15666 1 189 . 1 1 56 56 ASP CB C 13 41.392 0.002 . 1 . . . . 49 D CB . 15666 1 190 . 1 1 56 56 ASP N N 15 120.756 0.002 . 1 . . . . 49 D N . 15666 1 191 . 1 1 57 57 GLY H H 1 8.448 0.002 . 1 . . . . 50 G HN . 15666 1 192 . 1 1 57 57 GLY CA C 13 45.763 0.002 . 1 . . . . 50 G CA . 15666 1 193 . 1 1 57 57 GLY N N 15 109.501 0.002 . 1 . . . . 50 G N . 15666 1 194 . 1 1 58 58 THR H H 1 8.194 0.002 . 1 . . . . 51 T HN . 15666 1 195 . 1 1 58 58 THR CA C 13 62.418 0.002 . 1 . . . . 51 T CA . 15666 1 196 . 1 1 58 58 THR CB C 13 70.085 0.002 . 1 . . . . 51 T CB . 15666 1 197 . 1 1 58 58 THR N N 15 113.900 0.002 . 1 . . . . 51 T N . 15666 1 198 . 1 1 59 59 ALA H H 1 8.343 0.002 . 1 . . . . 52 A HN . 15666 1 199 . 1 1 59 59 ALA CA C 13 52.648 0.002 . 1 . . . . 52 A CA . 15666 1 200 . 1 1 59 59 ALA CB C 13 19.289 0.002 . 1 . . . . 52 A CB . 15666 1 201 . 1 1 59 59 ALA N N 15 126.339 0.002 . 1 . . . . 52 A N . 15666 1 202 . 1 1 60 60 LEU H H 1 8.219 0.002 . 1 . . . . 53 L HN . 15666 1 203 . 1 1 60 60 LEU CA C 13 55.300 0.002 . 1 . . . . 53 L CA . 15666 1 204 . 1 1 60 60 LEU CB C 13 42.333 0.002 . 1 . . . . 53 L CB . 15666 1 205 . 1 1 60 60 LEU N N 15 121.998 0.002 . 1 . . . . 53 L N . 15666 1 206 . 1 1 61 61 ILE H H 1 8.158 0.002 . 1 . . . . 54 I HN . 15666 1 207 . 1 1 61 61 ILE CA C 13 61.129 0.002 . 1 . . . . 54 I CA . 15666 1 208 . 1 1 61 61 ILE CB C 13 38.816 0.002 . 1 . . . . 54 I CB . 15666 1 209 . 1 1 61 61 ILE N N 15 121.859 0.002 . 1 . . . . 54 I N . 15666 1 210 . 1 1 62 62 TYR H H 1 8.359 0.002 . 1 . . . . 55 Y HN . 15666 1 211 . 1 1 62 62 TYR CA C 13 57.899 0.002 . 1 . . . . 55 Y CA . 15666 1 212 . 1 1 62 62 TYR CB C 13 38.853 0.002 . 1 . . . . 55 Y CB . 15666 1 213 . 1 1 62 62 TYR N N 15 124.818 0.002 . 1 . . . . 55 Y N . 15666 1 214 . 1 1 63 63 GLU H H 1 8.424 0.002 . 1 . . . . 56 E HN . 15666 1 215 . 1 1 63 63 GLU CA C 13 56.516 0.002 . 1 . . . . 56 E CA . 15666 1 216 . 1 1 63 63 GLU CB C 13 30.666 0.002 . 1 . . . . 56 E CB . 15666 1 217 . 1 1 63 63 GLU N N 15 123.649 0.002 . 1 . . . . 56 E N . 15666 1 218 . 1 1 64 64 ALA H H 1 8.331 0.002 . 1 . . . . 57 A HN . 15666 1 219 . 1 1 64 64 ALA CA C 13 52.870 0.002 . 1 . . . . 57 A CA . 15666 1 220 . 1 1 64 64 ALA CB C 13 19.108 0.002 . 1 . . . . 57 A CB . 15666 1 221 . 1 1 64 64 ALA N N 15 125.553 0.002 . 1 . . . . 57 A N . 15666 1 222 . 1 1 65 65 ALA H H 1 8.290 0.002 . 1 . . . . 58 A HN . 15666 1 223 . 1 1 65 65 ALA CA C 13 52.655 0.002 . 1 . . . . 58 A CA . 15666 1 224 . 1 1 65 65 ALA CB C 13 19.129 0.002 . 1 . . . . 58 A CB . 15666 1 225 . 1 1 65 65 ALA N N 15 123.001 0.002 . 1 . . . . 58 A N . 15666 1 226 . 1 1 66 66 ALA H H 1 8.251 0.002 . 1 . . . . 59 A HN . 15666 1 227 . 1 1 66 66 ALA CA C 13 52.699 0.002 . 1 . . . . 59 A CA . 15666 1 228 . 1 1 66 66 ALA CB C 13 19.097 0.002 . 1 . . . . 59 A CB . 15666 1 229 . 1 1 66 66 ALA N N 15 123.260 0.002 . 1 . . . . 59 A N . 15666 1 230 . 1 1 67 67 ARG H H 1 8.308 0.002 . 1 . . . . 60 R HN . 15666 1 231 . 1 1 67 67 ARG CA C 13 56.254 0.002 . 1 . . . . 60 R CA . 15666 1 232 . 1 1 67 67 ARG CB C 13 31.020 0.002 . 1 . . . . 60 R CB . 15666 1 233 . 1 1 67 67 ARG N N 15 120.512 0.002 . 1 . . . . 60 R N . 15666 1 234 . 1 1 68 68 ALA H H 1 8.364 0.002 . 1 . . . . 61 A HN . 15666 1 235 . 1 1 68 68 ALA CA C 13 52.532 0.002 . 1 . . . . 61 A CA . 15666 1 236 . 1 1 68 68 ALA CB C 13 19.269 0.002 . 1 . . . . 61 A CB . 15666 1 237 . 1 1 68 68 ALA N N 15 125.465 0.002 . 1 . . . . 61 A N . 15666 1 238 . 1 1 69 69 ALA H H 1 8.306 0.002 . 1 . . . . 62 A HN . 15666 1 239 . 1 1 69 69 ALA CA C 13 52.427 0.002 . 1 . . . . 62 A CA . 15666 1 240 . 1 1 69 69 ALA CB C 13 19.310 0.002 . 1 . . . . 62 A CB . 15666 1 241 . 1 1 69 69 ALA N N 15 123.546 0.002 . 1 . . . . 62 A N . 15666 1 242 . 1 1 70 70 ALA H H 1 8.288 0.002 . 1 . . . . 63 A HN . 15666 1 243 . 1 1 70 70 ALA CA C 13 52.473 0.002 . 1 . . . . 63 A CA . 15666 1 244 . 1 1 70 70 ALA CB C 13 19.298 0.002 . 1 . . . . 63 A CB . 15666 1 245 . 1 1 70 70 ALA N N 15 123.183 0.002 . 1 . . . . 63 A N . 15666 1 246 . 1 1 71 71 ASN H H 1 8.517 0.002 . 1 . . . . 64 N HN . 15666 1 247 . 1 1 71 71 ASN CA C 13 51.413 0.002 . 1 . . . . 64 N CA . 15666 1 248 . 1 1 71 71 ASN CB C 13 38.944 0.002 . 1 . . . . 64 N CB . 15666 1 249 . 1 1 71 71 ASN N N 15 118.773 0.002 . 1 . . . . 64 N N . 15666 1 250 . 1 1 72 72 PRO CA C 13 63.940 0.002 . 1 . . . . 65 P CA . 15666 1 251 . 1 1 72 72 PRO CB C 13 32.102 0.002 . 1 . . . . 65 P CB . 15666 1 252 . 1 1 73 73 GLY H H 1 8.521 0.002 . 1 . . . . 66 G HN . 15666 1 253 . 1 1 73 73 GLY CA C 13 45.354 0.002 . 1 . . . . 66 G CA . 15666 1 254 . 1 1 73 73 GLY N N 15 108.891 0.002 . 1 . . . . 66 G N . 15666 1 255 . 1 1 74 74 GLY H H 1 8.250 0.002 . 1 . . . . 67 G HN . 15666 1 256 . 1 1 74 74 GLY CA C 13 45.424 0.002 . 1 . . . . 67 G CA . 15666 1 257 . 1 1 74 74 GLY N N 15 108.793 0.002 . 1 . . . . 67 G N . 15666 1 258 . 1 1 75 75 ASP H H 1 8.446 0.002 . 1 . . . . 68 D HN . 15666 1 259 . 1 1 75 75 ASP CA C 13 54.437 0.002 . 1 . . . . 68 D CA . 15666 1 260 . 1 1 75 75 ASP CB C 13 41.585 0.002 . 1 . . . . 68 D CB . 15666 1 261 . 1 1 75 75 ASP N N 15 120.469 0.002 . 1 . . . . 68 D N . 15666 1 262 . 1 1 76 76 GLY H H 1 8.531 0.002 . 1 . . . . 69 G HN . 15666 1 263 . 1 1 76 76 GLY CA C 13 45.650 0.002 . 1 . . . . 69 G CA . 15666 1 264 . 1 1 76 76 GLY N N 15 109.595 0.002 . 1 . . . . 69 G N . 15666 1 265 . 1 1 77 77 GLY H H 1 8.427 0.002 . 1 . . . . 70 G HN . 15666 1 266 . 1 1 77 77 GLY CA C 13 45.330 0.002 . 1 . . . . 70 G CA . 15666 1 267 . 1 1 77 77 GLY N N 15 108.876 0.002 . 1 . . . . 70 G N . 15666 1 268 . 1 1 78 78 GLY H H 1 8.278 0.002 . 1 . . . . 71 G HN . 15666 1 269 . 1 1 78 78 GLY CA C 13 44.708 0.002 . 1 . . . . 71 G CA . 15666 1 270 . 1 1 78 78 GLY N N 15 108.975 0.002 . 1 . . . . 71 G N . 15666 1 271 . 1 1 79 79 PRO CA C 13 63.613 0.002 . 1 . . . . 72 P CA . 15666 1 272 . 1 1 79 79 PRO CB C 13 32.169 0.002 . 1 . . . . 72 P CB . 15666 1 273 . 1 1 80 80 GLU H H 1 8.739 0.002 . 1 . . . . 73 E HN . 15666 1 274 . 1 1 80 80 GLU CA C 13 57.028 0.002 . 1 . . . . 73 E CA . 15666 1 275 . 1 1 80 80 GLU CB C 13 30.286 0.002 . 1 . . . . 73 E CB . 15666 1 276 . 1 1 80 80 GLU N N 15 120.865 0.002 . 1 . . . . 73 E N . 15666 1 277 . 1 1 81 81 GLY H H 1 8.372 0.002 . 1 . . . . 74 G HN . 15666 1 278 . 1 1 81 81 GLY CA C 13 45.459 0.002 . 1 . . . . 74 G CA . 15666 1 279 . 1 1 81 81 GLY N N 15 109.622 0.002 . 1 . . . . 74 G N . 15666 1 280 . 1 1 82 82 ILE H H 1 8.009 0.002 . 1 . . . . 75 I HN . 15666 1 281 . 1 1 82 82 ILE CA C 13 61.182 0.002 . 1 . . . . 75 I CA . 15666 1 282 . 1 1 82 82 ILE CB C 13 38.859 0.002 . 1 . . . . 75 I CB . 15666 1 283 . 1 1 82 82 ILE N N 15 120.287 0.002 . 1 . . . . 75 I N . 15666 1 284 . 1 1 83 83 VAL H H 1 8.361 0.002 . 1 . . . . 76 V HN . 15666 1 285 . 1 1 83 83 VAL CA C 13 62.480 0.002 . 1 . . . . 76 V CA . 15666 1 286 . 1 1 83 83 VAL CB C 13 32.643 0.002 . 1 . . . . 76 V CB . 15666 1 287 . 1 1 83 83 VAL N N 15 125.510 0.002 . 1 . . . . 76 V N . 15666 1 288 . 1 1 84 84 LYS H H 1 8.528 0.002 . 1 . . . . 77 K HN . 15666 1 289 . 1 1 84 84 LYS CA C 13 56.318 0.002 . 1 . . . . 77 K CA . 15666 1 290 . 1 1 84 84 LYS CB C 13 33.317 0.002 . 1 . . . . 77 K CB . 15666 1 291 . 1 1 84 84 LYS N N 15 126.498 0.002 . 1 . . . . 77 K N . 15666 1 292 . 1 1 85 85 GLU H H 1 8.520 0.002 . 1 . . . . 78 E HN . 15666 1 293 . 1 1 85 85 GLU CA C 13 56.455 0.002 . 1 . . . . 78 E CA . 15666 1 294 . 1 1 85 85 GLU CB C 13 30.663 0.002 . 1 . . . . 78 E CB . 15666 1 295 . 1 1 85 85 GLU N N 15 122.993 0.002 . 1 . . . . 78 E N . 15666 1 296 . 1 1 86 86 ILE H H 1 8.433 0.002 . 1 . . . . 79 I HN . 15666 1 297 . 1 1 86 86 ILE CA C 13 61.121 0.002 . 1 . . . . 79 I CA . 15666 1 298 . 1 1 86 86 ILE CB C 13 38.620 0.002 . 1 . . . . 79 I CB . 15666 1 299 . 1 1 86 86 ILE N N 15 123.771 0.002 . 1 . . . . 79 I N . 15666 1 300 . 1 1 87 87 LYS H H 1 8.540 0.002 . 1 . . . . 80 K HN . 15666 1 301 . 1 1 87 87 LYS CB C 13 33.202 0.002 . 1 . . . . 80 K CB . 15666 1 302 . 1 1 87 87 LYS N N 15 126.461 0.002 . 1 . . . . 80 K N . 15666 1 303 . 1 1 88 88 GLU H H 1 8.507 0.002 . 1 . . . . 81 E HN . 15666 1 304 . 1 1 88 88 GLU CA C 13 56.485 0.002 . 1 . . . . 81 E CA . 15666 1 305 . 1 1 88 88 GLU CB C 13 30.578 0.002 . 1 . . . . 81 E CB . 15666 1 306 . 1 1 88 88 GLU N N 15 122.619 0.002 . 1 . . . . 81 E N . 15666 1 307 . 1 1 89 89 TRP H H 1 8.441 0.002 . 1 . . . . 82 W HN . 15666 1 308 . 1 1 89 89 TRP CA C 13 57.702 0.002 . 1 . . . . 82 W CA . 15666 1 309 . 1 1 89 89 TRP CB C 13 29.765 0.002 . 1 . . . . 82 W CB . 15666 1 310 . 1 1 89 89 TRP N N 15 123.927 0.002 . 1 . . . . 82 W N . 15666 1 311 . 1 1 90 90 ARG H H 1 8.140 0.002 . 1 . . . . 83 R HN . 15666 1 312 . 1 1 90 90 ARG CA C 13 55.735 0.002 . 1 . . . . 83 R CA . 15666 1 313 . 1 1 90 90 ARG CB C 13 31.423 0.002 . 1 . . . . 83 R CB . 15666 1 314 . 1 1 90 90 ARG N N 15 123.977 0.002 . 1 . . . . 83 R N . 15666 1 315 . 1 1 91 91 ALA H H 1 8.205 0.002 . 1 . . . . 84 A HN . 15666 1 316 . 1 1 91 91 ALA CA C 13 52.456 0.002 . 1 . . . . 84 A CA . 15666 1 317 . 1 1 91 91 ALA CB C 13 19.220 0.002 . 1 . . . . 84 A CB . 15666 1 318 . 1 1 91 91 ALA N N 15 125.451 0.002 . 1 . . . . 84 A N . 15666 1 319 . 1 1 92 92 ALA CA C 13 52.735 0.002 . 1 . . . . 85 A CA . 15666 1 320 . 1 1 92 92 ALA CB C 13 19.108 0.002 . 1 . . . . 85 A CB . 15666 1 321 . 1 1 93 93 ASN H H 1 8.376 0.002 . 1 . . . . 86 N HN . 15666 1 322 . 1 1 93 93 ASN CA C 13 53.282 0.002 . 1 . . . . 86 N CA . 15666 1 323 . 1 1 93 93 ASN CB C 13 39.031 0.002 . 1 . . . . 86 N CB . 15666 1 324 . 1 1 93 93 ASN N N 15 117.613 0.002 . 1 . . . . 86 N N . 15666 1 325 . 1 1 94 94 GLY H H 1 8.331 0.002 . 1 . . . . 87 G HN . 15666 1 326 . 1 1 94 94 GLY CA C 13 45.301 0.002 . 1 . . . . 87 G CA . 15666 1 327 . 1 1 94 94 GLY N N 15 109.017 0.002 . 1 . . . . 87 G N . 15666 1 328 . 1 1 95 95 LYS H H 1 8.232 0.002 . 1 . . . . 88 K HN . 15666 1 329 . 1 1 95 95 LYS CA C 13 54.388 0.002 . 1 . . . . 88 K CA . 15666 1 330 . 1 1 95 95 LYS CB C 13 32.680 0.002 . 1 . . . . 88 K CB . 15666 1 331 . 1 1 95 95 LYS N N 15 121.973 0.002 . 1 . . . . 88 K N . 15666 1 332 . 1 1 96 96 PRO CA C 13 63.489 0.002 . 1 . . . . 89 P CA . 15666 1 333 . 1 1 96 96 PRO CB C 13 32.165 0.002 . 1 . . . . 89 P CB . 15666 1 334 . 1 1 97 97 GLY H H 1 8.514 0.002 . 1 . . . . 90 G HN . 15666 1 335 . 1 1 97 97 GLY CA C 13 45.199 0.002 . 1 . . . . 90 G CA . 15666 1 336 . 1 1 97 97 GLY N N 15 109.266 0.002 . 1 . . . . 90 G N . 15666 1 337 . 1 1 98 98 PHE H H 1 8.169 0.002 . 1 . . . . 91 F HN . 15666 1 338 . 1 1 98 98 PHE CA C 13 57.752 0.002 . 1 . . . . 91 F CA . 15666 1 339 . 1 1 98 98 PHE CB C 13 39.923 0.002 . 1 . . . . 91 F CB . 15666 1 340 . 1 1 98 98 PHE N N 15 120.443 0.002 . 1 . . . . 91 F N . 15666 1 341 . 1 1 99 99 LYS H H 1 8.419 0.002 . 1 . . . . 92 K HN . 15666 1 342 . 1 1 99 99 LYS CA C 13 56.336 0.002 . 1 . . . . 92 K CA . 15666 1 343 . 1 1 99 99 LYS CB C 13 33.365 0.002 . 1 . . . . 92 K CB . 15666 1 344 . 1 1 99 99 LYS N N 15 124.422 0.002 . 1 . . . . 92 K N . 15666 1 345 . 1 1 100 100 GLN H H 1 8.506 0.002 . 1 . . . . 93 Q HN . 15666 1 346 . 1 1 100 100 GLN CA C 13 56.007 0.002 . 1 . . . . 93 Q CA . 15666 1 347 . 1 1 100 100 GLN CB C 13 29.959 0.002 . 1 . . . . 93 Q CB . 15666 1 348 . 1 1 100 100 GLN N N 15 123.235 0.002 . 1 . . . . 93 Q N . 15666 1 349 . 1 1 101 101 GLY H H 1 8.188 0.002 . 1 . . . . 94 G HN . 15666 1 350 . 1 1 101 101 GLY CA C 13 46.415 0.002 . 1 . . . . 94 G CA . 15666 1 351 . 1 1 101 101 GLY N N 15 117.327 0.002 . 1 . . . . 94 G N . 15666 1 stop_ save_