data_27401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27401 _Entry.Title ; Backbone assignment of Dynein Light Intermediate Chain 1 C-terminal domain (LIC1 Cterminal) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-12 _Entry.Accession_date 2018-02-12 _Entry.Last_release_date 2018-02-13 _Entry.Original_release_date 2018-02-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'LIC is an IDP protein which is assigned for the first time.' _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 Morkos Henen . A. . . 27401 2 Vogeli Beat . . . . 27401 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biochemistry, RC1-South, 9th floor, L18-9301' . 27401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 27401 '15N chemical shifts' 105 27401 '1H chemical shifts' 105 27401 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 . . 2019-01-02 . original BMRB . 27401 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Dynein LIC1 C-terminal Domain backbone assignment. IDP by NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Pos Biology' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Morkos Henen . A. . . 27401 1 2 Vogeli Beat . . . . 27401 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Dynein 27401 1 LIC 27401 1 'Muscular Atrophy' 27401 1 NMR 27401 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27401 _Assembly.ID 1 _Assembly.Name 'Single polypeptide IDP' _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 'Single polypeptide IDP' 1 $LIC_C_terminal A . yes 'intrinsically disordered' yes no . . . 27401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LIC_C_terminal _Entity.Sf_category entity _Entity.Sf_framecode LIC_C_terminal _Entity.Entry_ID 27401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LIC_C_terminal _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 ; GPWPTAAGRPVDASPRVPGG SPRTPNRSVSSNVASVSPIP AGSKKIDPNMKAGATSEGVL ANFFNSLLSKKTGSPGGPGV SGGSPAGGAGGGSSGLPPST KKSGQKPVLDVHAELDRITR KPVTVSPTTPTSPTEGEASG SGSGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binding Adaptor protein to enhance the motility of Dynein over microtubules' 27401 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 . GLY . 27401 1 2 . PRO . 27401 1 3 . TRP . 27401 1 4 . PRO . 27401 1 5 . THR . 27401 1 6 . ALA . 27401 1 7 . ALA . 27401 1 8 . GLY . 27401 1 9 . ARG . 27401 1 10 . PRO . 27401 1 11 . VAL . 27401 1 12 . ASP . 27401 1 13 . ALA . 27401 1 14 . SER . 27401 1 15 . PRO . 27401 1 16 . ARG . 27401 1 17 . VAL . 27401 1 18 . PRO . 27401 1 19 . GLY . 27401 1 20 . GLY . 27401 1 21 . SER . 27401 1 22 . PRO . 27401 1 23 . ARG . 27401 1 24 . THR . 27401 1 25 . PRO . 27401 1 26 . ASN . 27401 1 27 . ARG . 27401 1 28 . SER . 27401 1 29 . VAL . 27401 1 30 . SER . 27401 1 31 . SER . 27401 1 32 . ASN . 27401 1 33 . VAL . 27401 1 34 . ALA . 27401 1 35 . SER . 27401 1 36 . VAL . 27401 1 37 . SER . 27401 1 38 . PRO . 27401 1 39 . ILE . 27401 1 40 . PRO . 27401 1 41 . ALA . 27401 1 42 . GLY . 27401 1 43 . SER . 27401 1 44 . LYS . 27401 1 45 . LYS . 27401 1 46 . ILE . 27401 1 47 . ASP . 27401 1 48 . PRO . 27401 1 49 . ASN . 27401 1 50 . MET . 27401 1 51 . LYS . 27401 1 52 . ALA . 27401 1 53 . GLY . 27401 1 54 . ALA . 27401 1 55 . THR . 27401 1 56 . SER . 27401 1 57 . GLU . 27401 1 58 . GLY . 27401 1 59 . VAL . 27401 1 60 . LEU . 27401 1 61 . ALA . 27401 1 62 . ASN . 27401 1 63 . PHE . 27401 1 64 . PHE . 27401 1 65 . ASN . 27401 1 66 . SER . 27401 1 67 . LEU . 27401 1 68 . LEU . 27401 1 69 . SER . 27401 1 70 . LYS . 27401 1 71 . LYS . 27401 1 72 . THR . 27401 1 73 . GLY . 27401 1 74 . SER . 27401 1 75 . PRO . 27401 1 76 . GLY . 27401 1 77 . GLY . 27401 1 78 . PRO . 27401 1 79 . GLY . 27401 1 80 . VAL . 27401 1 81 . SER . 27401 1 82 . GLY . 27401 1 83 . GLY . 27401 1 84 . SER . 27401 1 85 . PRO . 27401 1 86 . ALA . 27401 1 87 . GLY . 27401 1 88 . GLY . 27401 1 89 . ALA . 27401 1 90 . GLY . 27401 1 91 . GLY . 27401 1 92 . GLY . 27401 1 93 . SER . 27401 1 94 . SER . 27401 1 95 . GLY . 27401 1 96 . LEU . 27401 1 97 . PRO . 27401 1 98 . PRO . 27401 1 99 . SER . 27401 1 100 . THR . 27401 1 101 . LYS . 27401 1 102 . LYS . 27401 1 103 . SER . 27401 1 104 . GLY . 27401 1 105 . GLN . 27401 1 106 . LYS . 27401 1 107 . PRO . 27401 1 108 . VAL . 27401 1 109 . LEU . 27401 1 110 . ASP . 27401 1 111 . VAL . 27401 1 112 . HIS . 27401 1 113 . ALA . 27401 1 114 . GLU . 27401 1 115 . LEU . 27401 1 116 . ASP . 27401 1 117 . ARG . 27401 1 118 . ILE . 27401 1 119 . THR . 27401 1 120 . ARG . 27401 1 121 . LYS . 27401 1 122 . PRO . 27401 1 123 . VAL . 27401 1 124 . THR . 27401 1 125 . VAL . 27401 1 126 . SER . 27401 1 127 . PRO . 27401 1 128 . THR . 27401 1 129 . THR . 27401 1 130 . PRO . 27401 1 131 . THR . 27401 1 132 . SER . 27401 1 133 . PRO . 27401 1 134 . THR . 27401 1 135 . GLU . 27401 1 136 . GLY . 27401 1 137 . GLU . 27401 1 138 . ALA . 27401 1 139 . SER . 27401 1 140 . GLY . 27401 1 141 . SER . 27401 1 142 . GLY . 27401 1 143 . SER . 27401 1 144 . GLY . 27401 1 145 . HIS . 27401 1 146 . HIS . 27401 1 147 . HIS . 27401 1 148 . HIS . 27401 1 149 . HIS . 27401 1 150 . HIS . 27401 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27401 1 . PRO 2 2 27401 1 . TRP 3 3 27401 1 . PRO 4 4 27401 1 . THR 5 5 27401 1 . ALA 6 6 27401 1 . ALA 7 7 27401 1 . GLY 8 8 27401 1 . ARG 9 9 27401 1 . PRO 10 10 27401 1 . VAL 11 11 27401 1 . ASP 12 12 27401 1 . ALA 13 13 27401 1 . SER 14 14 27401 1 . PRO 15 15 27401 1 . ARG 16 16 27401 1 . VAL 17 17 27401 1 . PRO 18 18 27401 1 . GLY 19 19 27401 1 . GLY 20 20 27401 1 . SER 21 21 27401 1 . PRO 22 22 27401 1 . ARG 23 23 27401 1 . THR 24 24 27401 1 . PRO 25 25 27401 1 . ASN 26 26 27401 1 . ARG 27 27 27401 1 . SER 28 28 27401 1 . VAL 29 29 27401 1 . SER 30 30 27401 1 . SER 31 31 27401 1 . ASN 32 32 27401 1 . VAL 33 33 27401 1 . ALA 34 34 27401 1 . SER 35 35 27401 1 . VAL 36 36 27401 1 . SER 37 37 27401 1 . PRO 38 38 27401 1 . ILE 39 39 27401 1 . PRO 40 40 27401 1 . ALA 41 41 27401 1 . GLY 42 42 27401 1 . SER 43 43 27401 1 . LYS 44 44 27401 1 . LYS 45 45 27401 1 . ILE 46 46 27401 1 . ASP 47 47 27401 1 . PRO 48 48 27401 1 . ASN 49 49 27401 1 . MET 50 50 27401 1 . LYS 51 51 27401 1 . ALA 52 52 27401 1 . GLY 53 53 27401 1 . ALA 54 54 27401 1 . THR 55 55 27401 1 . SER 56 56 27401 1 . GLU 57 57 27401 1 . GLY 58 58 27401 1 . VAL 59 59 27401 1 . LEU 60 60 27401 1 . ALA 61 61 27401 1 . ASN 62 62 27401 1 . PHE 63 63 27401 1 . PHE 64 64 27401 1 . ASN 65 65 27401 1 . SER 66 66 27401 1 . LEU 67 67 27401 1 . LEU 68 68 27401 1 . SER 69 69 27401 1 . LYS 70 70 27401 1 . LYS 71 71 27401 1 . THR 72 72 27401 1 . GLY 73 73 27401 1 . SER 74 74 27401 1 . PRO 75 75 27401 1 . GLY 76 76 27401 1 . GLY 77 77 27401 1 . PRO 78 78 27401 1 . GLY 79 79 27401 1 . VAL 80 80 27401 1 . SER 81 81 27401 1 . GLY 82 82 27401 1 . GLY 83 83 27401 1 . SER 84 84 27401 1 . PRO 85 85 27401 1 . ALA 86 86 27401 1 . GLY 87 87 27401 1 . GLY 88 88 27401 1 . ALA 89 89 27401 1 . GLY 90 90 27401 1 . GLY 91 91 27401 1 . GLY 92 92 27401 1 . SER 93 93 27401 1 . SER 94 94 27401 1 . GLY 95 95 27401 1 . LEU 96 96 27401 1 . PRO 97 97 27401 1 . PRO 98 98 27401 1 . SER 99 99 27401 1 . THR 100 100 27401 1 . LYS 101 101 27401 1 . LYS 102 102 27401 1 . SER 103 103 27401 1 . GLY 104 104 27401 1 . GLN 105 105 27401 1 . LYS 106 106 27401 1 . PRO 107 107 27401 1 . VAL 108 108 27401 1 . LEU 109 109 27401 1 . ASP 110 110 27401 1 . VAL 111 111 27401 1 . HIS 112 112 27401 1 . ALA 113 113 27401 1 . GLU 114 114 27401 1 . LEU 115 115 27401 1 . ASP 116 116 27401 1 . ARG 117 117 27401 1 . ILE 118 118 27401 1 . THR 119 119 27401 1 . ARG 120 120 27401 1 . LYS 121 121 27401 1 . PRO 122 122 27401 1 . VAL 123 123 27401 1 . THR 124 124 27401 1 . VAL 125 125 27401 1 . SER 126 126 27401 1 . PRO 127 127 27401 1 . THR 128 128 27401 1 . THR 129 129 27401 1 . PRO 130 130 27401 1 . THR 131 131 27401 1 . SER 132 132 27401 1 . PRO 133 133 27401 1 . THR 134 134 27401 1 . GLU 135 135 27401 1 . GLY 136 136 27401 1 . GLU 137 137 27401 1 . ALA 138 138 27401 1 . SER 139 139 27401 1 . GLY 140 140 27401 1 . SER 141 141 27401 1 . GLY 142 142 27401 1 . SER 143 143 27401 1 . GLY 144 144 27401 1 . HIS 145 145 27401 1 . HIS 146 146 27401 1 . HIS 147 147 27401 1 . HIS 148 148 27401 1 . HIS 149 149 27401 1 . HIS 150 150 27401 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 27401 _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 $LIC_C_terminal . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27401 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 27401 _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 $LIC_C_terminal . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-6P-1 . . . 27401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27401 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '360 micromolar NMR sample' _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 'LIC C terminal' '[U-100% 13C; U-100% 15N]' . . 1 $LIC_C_terminal . . 370 . . uM . . . . 27401 1 2 D2O 'natural abundance' . . . . . . 5 . . % . . . . 27401 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27401 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27401 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 27401 _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' 150 . mM 27401 1 pH 6.5 . pH 27401 1 pressure 1 . atm 27401 1 temperature 273 . K 27401 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27401 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27401 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27401 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 27401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27401 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27401 _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 Varian INOVA . 900 . . . 27401 1 2 spectrometer_1 Varian INOVA . 600 . . . 27401 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 27401 _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 . . . . . . . . . . . . . . . . . . . . . 27401 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27401 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27401 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27401 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 27401 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27401 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27401 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27401 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 27401 _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' . . . 27401 1 2 '3D CBCA(CO)NH' . . . 27401 1 3 '3D HNCACB' . . . 27401 1 4 '3D HNCO' . . . 27401 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 THR H H 1 8.137 0.004 . . . . . . . 5 THR HN . 27401 1 2 . 1 1 5 5 THR CA C 13 61.802 0.000 . . . . . . . 5 THR CA . 27401 1 3 . 1 1 5 5 THR CB C 13 70.011 0.000 . . . . . . . 5 THR CB . 27401 1 4 . 1 1 5 5 THR N N 15 114.227 0.015 . . . . . . . 5 THR N . 27401 1 5 . 1 1 6 6 ALA H H 1 8.314 0.016 . . . . . . . 6 ALA HN . 27401 1 6 . 1 1 6 6 ALA C C 13 176.200 0.000 . . . . . . . 6 ALA C . 27401 1 7 . 1 1 6 6 ALA CA C 13 52.445 0.000 . . . . . . . 6 ALA CA . 27401 1 8 . 1 1 6 6 ALA CB C 13 19.494 0.000 . . . . . . . 6 ALA CB . 27401 1 9 . 1 1 6 6 ALA N N 15 127.523 0.041 . . . . . . . 6 ALA N . 27401 1 10 . 1 1 7 7 ALA H H 1 8.231 0.008 . . . . . . . 7 ALA HN . 27401 1 11 . 1 1 7 7 ALA C C 13 174.499 0.000 . . . . . . . 7 ALA C . 27401 1 12 . 1 1 7 7 ALA CA C 13 52.769 0.000 . . . . . . . 7 ALA CA . 27401 1 13 . 1 1 7 7 ALA CB C 13 19.258 0.000 . . . . . . . 7 ALA CB . 27401 1 14 . 1 1 7 7 ALA N N 15 123.113 0.047 . . . . . . . 7 ALA N . 27401 1 15 . 1 1 8 8 GLY H H 1 8.264 0.002 . . . . . . . 8 GLY HN . 27401 1 16 . 1 1 8 8 GLY CA C 13 45.102 0.000 . . . . . . . 8 GLY CA . 27401 1 17 . 1 1 8 8 GLY N N 15 107.756 0.000 . . . . . . . 8 GLY N . 27401 1 18 . 1 1 9 9 ARG H H 1 8.039 0.005 . . . . . . . 9 ARG HN . 27401 1 19 . 1 1 9 9 ARG CA C 13 53.858 0.000 . . . . . . . 9 ARG CA . 27401 1 20 . 1 1 9 9 ARG CB C 13 30.325 0.000 . . . . . . . 9 ARG CB . 27401 1 21 . 1 1 9 9 ARG N N 15 121.556 0.023 . . . . . . . 9 ARG N . 27401 1 22 . 1 1 11 11 VAL H H 1 8.223 0.002 . . . . . . . 11 VAL HN . 27401 1 23 . 1 1 11 11 VAL CA C 13 62.432 0.000 . . . . . . . 11 VAL CA . 27401 1 24 . 1 1 11 11 VAL CB C 13 32.785 0.000 . . . . . . . 11 VAL CB . 27401 1 25 . 1 1 11 11 VAL N N 15 120.228 0.114 . . . . . . . 11 VAL N . 27401 1 26 . 1 1 12 12 ASP H H 1 8.316 0.004 . . . . . . . 12 ASP HN . 27401 1 27 . 1 1 12 12 ASP C C 13 175.685 0.000 . . . . . . . 12 ASP C . 27401 1 28 . 1 1 12 12 ASP CA C 13 54.237 0.000 . . . . . . . 12 ASP CA . 27401 1 29 . 1 1 12 12 ASP CB C 13 41.271 0.000 . . . . . . . 12 ASP CB . 27401 1 30 . 1 1 12 12 ASP N N 15 123.791 0.018 . . . . . . . 12 ASP N . 27401 1 31 . 1 1 13 13 ALA H H 1 8.240 0.005 . . . . . . . 13 ALA HN . 27401 1 32 . 1 1 13 13 ALA C C 13 177.428 0.000 . . . . . . . 13 ALA C . 27401 1 33 . 1 1 13 13 ALA CA C 13 52.244 0.000 . . . . . . . 13 ALA CA . 27401 1 34 . 1 1 13 13 ALA CB C 13 19.414 0.000 . . . . . . . 13 ALA CB . 27401 1 35 . 1 1 13 13 ALA N N 15 124.913 0.049 . . . . . . . 13 ALA N . 27401 1 36 . 1 1 14 14 SER H H 1 8.280 0.007 . . . . . . . 14 SER HN . 27401 1 37 . 1 1 14 14 SER C C 13 172.545 0.000 . . . . . . . 14 SER C . 27401 1 38 . 1 1 14 14 SER CA C 13 56.633 0.000 . . . . . . . 14 SER CA . 27401 1 39 . 1 1 14 14 SER CB C 13 63.141 0.000 . . . . . . . 14 SER CB . 27401 1 40 . 1 1 14 14 SER N N 15 116.800 0.043 . . . . . . . 14 SER N . 27401 1 41 . 1 1 16 16 ARG H H 1 8.429 0.006 . . . . . . . 16 ARG HN . 27401 1 42 . 1 1 16 16 ARG C C 13 176.196 0.000 . . . . . . . 16 ARG C . 27401 1 43 . 1 1 16 16 ARG CA C 13 56.063 0.000 . . . . . . . 16 ARG CA . 27401 1 44 . 1 1 16 16 ARG CB C 13 30.864 0.000 . . . . . . . 16 ARG CB . 27401 1 45 . 1 1 16 16 ARG N N 15 121.865 0.053 . . . . . . . 16 ARG N . 27401 1 46 . 1 1 17 17 VAL H H 1 8.187 0.005 . . . . . . . 17 VAL HN . 27401 1 47 . 1 1 17 17 VAL C C 13 174.506 0.000 . . . . . . . 17 VAL C . 27401 1 48 . 1 1 17 17 VAL CA C 13 59.619 0.000 . . . . . . . 17 VAL CA . 27401 1 49 . 1 1 17 17 VAL CB C 13 32.651 0.000 . . . . . . . 17 VAL CB . 27401 1 50 . 1 1 17 17 VAL N N 15 122.576 0.044 . . . . . . . 17 VAL N . 27401 1 51 . 1 1 19 19 GLY H H 1 8.539 0.003 . . . . . . . 19 GLY HN . 27401 1 52 . 1 1 19 19 GLY C C 13 174.719 0.000 . . . . . . . 19 GLY C . 27401 1 53 . 1 1 19 19 GLY CA C 13 45.371 0.000 . . . . . . . 19 GLY CA . 27401 1 54 . 1 1 19 19 GLY N N 15 109.988 0.061 . . . . . . . 19 GLY N . 27401 1 55 . 1 1 20 20 GLY H H 1 8.288 0.001 . . . . . . . 20 GLY HN . 27401 1 56 . 1 1 20 20 GLY C C 13 173.828 0.000 . . . . . . . 20 GLY C . 27401 1 57 . 1 1 20 20 GLY CA C 13 45.290 0.000 . . . . . . . 20 GLY CA . 27401 1 58 . 1 1 20 20 GLY N N 15 108.681 0.062 . . . . . . . 20 GLY N . 27401 1 59 . 1 1 23 23 ARG H H 1 8.456 0.003 . . . . . . . 23 ARG HN . 27401 1 60 . 1 1 23 23 ARG C C 13 176.321 0.000 . . . . . . . 23 ARG C . 27401 1 61 . 1 1 23 23 ARG CA C 13 56.073 0.000 . . . . . . . 23 ARG CA . 27401 1 62 . 1 1 23 23 ARG CB C 13 30.889 0.000 . . . . . . . 23 ARG CB . 27401 1 63 . 1 1 23 23 ARG N N 15 121.405 0.136 . . . . . . . 23 ARG N . 27401 1 64 . 1 1 24 24 THR H H 1 8.198 0.007 . . . . . . . 24 THR HN . 27401 1 65 . 1 1 24 24 THR C C 13 172.872 0.000 . . . . . . . 24 THR C . 27401 1 66 . 1 1 24 24 THR CA C 13 59.635 0.000 . . . . . . . 24 THR CA . 27401 1 67 . 1 1 24 24 THR CB C 13 69.702 0.000 . . . . . . . 24 THR CB . 27401 1 68 . 1 1 24 24 THR N N 15 117.729 0.006 . . . . . . . 24 THR N . 27401 1 69 . 1 1 26 26 ASN H H 1 8.514 0.003 . . . . . . . 26 ASN HN . 27401 1 70 . 1 1 26 26 ASN C C 13 175.063 0.000 . . . . . . . 26 ASN C . 27401 1 71 . 1 1 26 26 ASN CA C 13 53.360 0.000 . . . . . . . 26 ASN CA . 27401 1 72 . 1 1 26 26 ASN CB C 13 38.833 0.000 . . . . . . . 26 ASN CB . 27401 1 73 . 1 1 26 26 ASN N N 15 119.142 0.060 . . . . . . . 26 ASN N . 27401 1 74 . 1 1 27 27 ARG H H 1 8.365 0.007 . . . . . . . 27 ARG HN . 27401 1 75 . 1 1 27 27 ARG CA C 13 56.044 0.000 . . . . . . . 27 ARG CA . 27401 1 76 . 1 1 27 27 ARG CB C 13 30.873 0.000 . . . . . . . 27 ARG CB . 27401 1 77 . 1 1 27 27 ARG N N 15 121.992 0.010 . . . . . . . 27 ARG N . 27401 1 78 . 1 1 28 28 SER H H 1 8.403 0.002 . . . . . . . 28 SER HN . 27401 1 79 . 1 1 28 28 SER CA C 13 58.485 0.000 . . . . . . . 28 SER CA . 27401 1 80 . 1 1 28 28 SER CB C 13 63.819 0.000 . . . . . . . 28 SER CB . 27401 1 81 . 1 1 28 28 SER N N 15 117.453 0.022 . . . . . . . 28 SER N . 27401 1 82 . 1 1 29 29 VAL H H 1 8.178 0.008 . . . . . . . 29 VAL HN . 27401 1 83 . 1 1 29 29 VAL C C 13 175.347 0.000 . . . . . . . 29 VAL C . 27401 1 84 . 1 1 29 29 VAL CA C 13 62.204 0.008 . . . . . . . 29 VAL CA . 27401 1 85 . 1 1 29 29 VAL CB C 13 32.905 0.015 . . . . . . . 29 VAL CB . 27401 1 86 . 1 1 29 29 VAL N N 15 121.631 0.163 . . . . . . . 29 VAL N . 27401 1 87 . 1 1 30 30 SER H H 1 8.376 0.003 . . . . . . . 30 SER HN . 27401 1 88 . 1 1 30 30 SER CA C 13 58.262 0.000 . . . . . . . 30 SER CA . 27401 1 89 . 1 1 30 30 SER CB C 13 63.821 0.000 . . . . . . . 30 SER CB . 27401 1 90 . 1 1 30 30 SER N N 15 119.149 0.012 . . . . . . . 30 SER N . 27401 1 91 . 1 1 33 33 VAL H H 1 8.028 0.007 . . . . . . . 33 VAL HN . 27401 1 92 . 1 1 33 33 VAL C C 13 175.765 0.000 . . . . . . . 33 VAL C . 27401 1 93 . 1 1 33 33 VAL CA C 13 62.318 0.000 . . . . . . . 33 VAL CA . 27401 1 94 . 1 1 33 33 VAL CB C 13 32.778 0.000 . . . . . . . 33 VAL CB . 27401 1 95 . 1 1 33 33 VAL N N 15 120.206 0.032 . . . . . . . 33 VAL N . 27401 1 96 . 1 1 34 34 ALA H H 1 8.350 0.005 . . . . . . . 34 ALA HN . 27401 1 97 . 1 1 34 34 ALA C C 13 177.632 0.000 . . . . . . . 34 ALA C . 27401 1 98 . 1 1 34 34 ALA CA C 13 52.556 0.000 . . . . . . . 34 ALA CA . 27401 1 99 . 1 1 34 34 ALA CB C 13 19.349 0.000 . . . . . . . 34 ALA CB . 27401 1 100 . 1 1 34 34 ALA N N 15 127.539 0.025 . . . . . . . 34 ALA N . 27401 1 101 . 1 1 35 35 SER H H 1 8.232 0.004 . . . . . . . 35 SER HN . 27401 1 102 . 1 1 35 35 SER C C 13 174.389 0.000 . . . . . . . 35 SER C . 27401 1 103 . 1 1 35 35 SER CA C 13 58.203 0.000 . . . . . . . 35 SER CA . 27401 1 104 . 1 1 35 35 SER CB C 13 63.810 0.000 . . . . . . . 35 SER CB . 27401 1 105 . 1 1 35 35 SER N N 15 115.318 0.101 . . . . . . . 35 SER N . 27401 1 106 . 1 1 36 36 VAL H H 1 8.130 0.006 . . . . . . . 36 VAL HN . 27401 1 107 . 1 1 36 36 VAL C C 13 175.974 0.000 . . . . . . . 36 VAL C . 27401 1 108 . 1 1 36 36 VAL CA C 13 61.984 0.000 . . . . . . . 36 VAL CA . 27401 1 109 . 1 1 36 36 VAL CB C 13 33.030 0.000 . . . . . . . 36 VAL CB . 27401 1 110 . 1 1 36 36 VAL N N 15 121.519 0.012 . . . . . . . 36 VAL N . 27401 1 111 . 1 1 37 37 SER H H 1 8.388 0.003 . . . . . . . 37 SER HN . 27401 1 112 . 1 1 37 37 SER C C 13 172.586 0.000 . . . . . . . 37 SER C . 27401 1 113 . 1 1 37 37 SER CA C 13 56.318 0.000 . . . . . . . 37 SER CA . 27401 1 114 . 1 1 37 37 SER CB C 13 63.430 0.000 . . . . . . . 37 SER CB . 27401 1 115 . 1 1 37 37 SER N N 15 121.089 0.012 . . . . . . . 37 SER N . 27401 1 116 . 1 1 39 39 ILE H H 1 8.181 0.005 . . . . . . . 39 ILE HN . 27401 1 117 . 1 1 39 39 ILE C C 13 174.666 0.000 . . . . . . . 39 ILE C . 27401 1 118 . 1 1 39 39 ILE CA C 13 58.713 0.000 . . . . . . . 39 ILE CA . 27401 1 119 . 1 1 39 39 ILE CB C 13 38.635 0.000 . . . . . . . 39 ILE CB . 27401 1 120 . 1 1 39 39 ILE N N 15 122.556 0.045 . . . . . . . 39 ILE N . 27401 1 121 . 1 1 41 41 ALA H H 1 8.466 0.003 . . . . . . . 41 ALA HN . 27401 1 122 . 1 1 41 41 ALA CA C 13 52.789 0.000 . . . . . . . 41 ALA CA . 27401 1 123 . 1 1 41 41 ALA CB C 13 19.156 0.000 . . . . . . . 41 ALA CB . 27401 1 124 . 1 1 41 41 ALA N N 15 125.168 0.033 . . . . . . . 41 ALA N . 27401 1 125 . 1 1 43 43 SER H H 1 8.142 0.004 . . . . . . . 43 SER HN . 27401 1 126 . 1 1 43 43 SER CA C 13 58.496 0.000 . . . . . . . 43 SER CA . 27401 1 127 . 1 1 43 43 SER CB C 13 63.946 0.000 . . . . . . . 43 SER CB . 27401 1 128 . 1 1 43 43 SER N N 15 115.575 0.028 . . . . . . . 43 SER N . 27401 1 129 . 1 1 44 44 LYS H H 1 8.312 0.004 . . . . . . . 44 LYS HN . 27401 1 130 . 1 1 44 44 LYS CA C 13 56.268 0.000 . . . . . . . 44 LYS CA . 27401 1 131 . 1 1 44 44 LYS CB C 13 33.102 0.000 . . . . . . . 44 LYS CB . 27401 1 132 . 1 1 44 44 LYS N N 15 123.214 0.042 . . . . . . . 44 LYS N . 27401 1 133 . 1 1 46 46 ILE H H 1 8.258 0.010 . . . . . . . 46 ILE HN . 27401 1 134 . 1 1 46 46 ILE C C 13 175.518 0.000 . . . . . . . 46 ILE C . 27401 1 135 . 1 1 46 46 ILE CA C 13 60.515 0.000 . . . . . . . 46 ILE CA . 27401 1 136 . 1 1 46 46 ILE CB C 13 38.932 0.000 . . . . . . . 46 ILE CB . 27401 1 137 . 1 1 46 46 ILE N N 15 123.506 0.119 . . . . . . . 46 ILE N . 27401 1 138 . 1 1 47 47 ASP H H 1 8.450 0.004 . . . . . . . 47 ASP HN . 27401 1 139 . 1 1 47 47 ASP C C 13 175.148 0.000 . . . . . . . 47 ASP C . 27401 1 140 . 1 1 47 47 ASP CA C 13 51.701 0.000 . . . . . . . 47 ASP CA . 27401 1 141 . 1 1 47 47 ASP CB C 13 41.791 0.000 . . . . . . . 47 ASP CB . 27401 1 142 . 1 1 47 47 ASP N N 15 126.993 0.021 . . . . . . . 47 ASP N . 27401 1 143 . 1 1 49 49 ASN H H 1 8.526 0.002 . . . . . . . 49 ASN HN . 27401 1 144 . 1 1 49 49 ASN C C 13 175.225 0.000 . . . . . . . 49 ASN C . 27401 1 145 . 1 1 49 49 ASN CA C 13 53.617 0.000 . . . . . . . 49 ASN CA . 27401 1 146 . 1 1 49 49 ASN CB C 13 38.755 0.000 . . . . . . . 49 ASN CB . 27401 1 147 . 1 1 49 49 ASN N N 15 116.952 0.044 . . . . . . . 49 ASN N . 27401 1 148 . 1 1 50 50 MET H H 1 7.891 0.006 . . . . . . . 50 MET HN . 27401 1 149 . 1 1 50 50 MET C C 13 175.665 0.000 . . . . . . . 50 MET C . 27401 1 150 . 1 1 50 50 MET CA C 13 55.796 0.000 . . . . . . . 50 MET CA . 27401 1 151 . 1 1 50 50 MET CB C 13 32.836 0.000 . . . . . . . 50 MET CB . 27401 1 152 . 1 1 50 50 MET N N 15 120.341 0.023 . . . . . . . 50 MET N . 27401 1 153 . 1 1 52 52 ALA H H 1 8.302 0.008 . . . . . . . 52 ALA HN . 27401 1 154 . 1 1 52 52 ALA C C 13 178.180 0.000 . . . . . . . 52 ALA C . 27401 1 155 . 1 1 52 52 ALA CA C 13 52.792 0.000 . . . . . . . 52 ALA CA . 27401 1 156 . 1 1 52 52 ALA CB C 13 19.204 0.000 . . . . . . . 52 ALA CB . 27401 1 157 . 1 1 52 52 ALA N N 15 125.326 0.028 . . . . . . . 52 ALA N . 27401 1 158 . 1 1 53 53 GLY H H 1 8.359 0.005 . . . . . . . 53 GLY HN . 27401 1 159 . 1 1 53 53 GLY C C 13 174.785 0.000 . . . . . . . 53 GLY C . 27401 1 160 . 1 1 53 53 GLY CA C 13 45.282 0.000 . . . . . . . 53 GLY CA . 27401 1 161 . 1 1 53 53 GLY N N 15 108.326 0.020 . . . . . . . 53 GLY N . 27401 1 162 . 1 1 54 54 ALA H H 1 8.150 0.003 . . . . . . . 54 ALA HN . 27401 1 163 . 1 1 54 54 ALA C C 13 178.055 0.000 . . . . . . . 54 ALA C . 27401 1 164 . 1 1 54 54 ALA CA C 13 52.826 0.000 . . . . . . . 54 ALA CA . 27401 1 165 . 1 1 54 54 ALA CB C 13 19.493 0.000 . . . . . . . 54 ALA CB . 27401 1 166 . 1 1 54 54 ALA N N 15 123.787 0.030 . . . . . . . 54 ALA N . 27401 1 167 . 1 1 55 55 THR H H 1 8.195 0.007 . . . . . . . 55 THR HN . 27401 1 168 . 1 1 55 55 THR C C 13 174.774 0.000 . . . . . . . 55 THR C . 27401 1 169 . 1 1 55 55 THR CA C 13 61.591 0.000 . . . . . . . 55 THR CA . 27401 1 170 . 1 1 55 55 THR CB C 13 69.949 0.000 . . . . . . . 55 THR CB . 27401 1 171 . 1 1 55 55 THR N N 15 112.939 0.094 . . . . . . . 55 THR N . 27401 1 172 . 1 1 56 56 SER H H 1 8.358 0.013 . . . . . . . 56 SER HN . 27401 1 173 . 1 1 56 56 SER C C 13 174.448 0.000 . . . . . . . 56 SER C . 27401 1 174 . 1 1 56 56 SER CA C 13 58.430 0.087 . . . . . . . 56 SER CA . 27401 1 175 . 1 1 56 56 SER CB C 13 63.882 0.050 . . . . . . . 56 SER CB . 27401 1 176 . 1 1 56 56 SER N N 15 117.831 0.070 . . . . . . . 56 SER N . 27401 1 177 . 1 1 57 57 GLU H H 1 8.462 0.012 . . . . . . . 57 GLU HN . 27401 1 178 . 1 1 57 57 GLU C C 13 176.888 0.000 . . . . . . . 57 GLU C . 27401 1 179 . 1 1 57 57 GLU CA C 13 57.176 0.029 . . . . . . . 57 GLU CA . 27401 1 180 . 1 1 57 57 GLU CB C 13 30.305 0.012 . . . . . . . 57 GLU CB . 27401 1 181 . 1 1 57 57 GLU N N 15 122.633 0.104 . . . . . . . 57 GLU N . 27401 1 182 . 1 1 58 58 GLY H H 1 8.397 0.009 . . . . . . . 58 GLY HN . 27401 1 183 . 1 1 58 58 GLY C C 13 173.971 0.079 . . . . . . . 58 GLY C . 27401 1 184 . 1 1 58 58 GLY CA C 13 45.438 0.000 . . . . . . . 58 GLY CA . 27401 1 185 . 1 1 58 58 GLY N N 15 109.630 0.062 . . . . . . . 58 GLY N . 27401 1 186 . 1 1 59 59 VAL H H 1 7.917 0.003 . . . . . . . 59 VAL HN . 27401 1 187 . 1 1 59 59 VAL C C 13 176.059 0.000 . . . . . . . 59 VAL C . 27401 1 188 . 1 1 59 59 VAL CA C 13 62.899 0.000 . . . . . . . 59 VAL CA . 27401 1 189 . 1 1 59 59 VAL CB C 13 32.625 0.000 . . . . . . . 59 VAL CB . 27401 1 190 . 1 1 59 59 VAL N N 15 119.526 0.062 . . . . . . . 59 VAL N . 27401 1 191 . 1 1 60 60 LEU H H 1 8.348 0.015 . . . . . . . 60 LEU HN . 27401 1 192 . 1 1 60 60 LEU C C 13 175.921 0.000 . . . . . . . 60 LEU C . 27401 1 193 . 1 1 60 60 LEU CA C 13 55.029 0.000 . . . . . . . 60 LEU CA . 27401 1 194 . 1 1 60 60 LEU CB C 13 42.354 0.000 . . . . . . . 60 LEU CB . 27401 1 195 . 1 1 60 60 LEU N N 15 126.919 0.009 . . . . . . . 60 LEU N . 27401 1 196 . 1 1 61 61 ALA H H 1 7.863 0.002 . . . . . . . 61 ALA HN . 27401 1 197 . 1 1 61 61 ALA C C 13 182.326 0.000 . . . . . . . 61 ALA C . 27401 1 198 . 1 1 61 61 ALA CA C 13 53.826 0.000 . . . . . . . 61 ALA CA . 27401 1 199 . 1 1 61 61 ALA CB C 13 20.383 0.000 . . . . . . . 61 ALA CB . 27401 1 200 . 1 1 61 61 ALA N N 15 130.900 0.000 . . . . . . . 61 ALA N . 27401 1 201 . 1 1 64 64 PHE H H 1 8.146 0.002 . . . . . . . 64 PHE HN . 27401 1 202 . 1 1 64 64 PHE CA C 13 58.551 0.000 . . . . . . . 64 PHE CA . 27401 1 203 . 1 1 64 64 PHE CB C 13 39.335 0.000 . . . . . . . 64 PHE CB . 27401 1 204 . 1 1 64 64 PHE N N 15 120.430 0.012 . . . . . . . 64 PHE N . 27401 1 205 . 1 1 66 66 SER H H 1 8.176 0.002 . . . . . . . 66 SER HN . 27401 1 206 . 1 1 66 66 SER CA C 13 59.330 0.000 . . . . . . . 66 SER CA . 27401 1 207 . 1 1 66 66 SER CB C 13 63.495 0.000 . . . . . . . 66 SER CB . 27401 1 208 . 1 1 66 66 SER N N 15 116.691 0.049 . . . . . . . 66 SER N . 27401 1 209 . 1 1 68 68 LEU H H 1 7.873 0.004 . . . . . . . 68 LEU HN . 27401 1 210 . 1 1 68 68 LEU CA C 13 55.524 0.000 . . . . . . . 68 LEU CA . 27401 1 211 . 1 1 68 68 LEU CB C 13 42.105 0.000 . . . . . . . 68 LEU CB . 27401 1 212 . 1 1 68 68 LEU N N 15 120.615 0.064 . . . . . . . 68 LEU N . 27401 1 213 . 1 1 69 69 SER H H 1 7.999 0.003 . . . . . . . 69 SER HN . 27401 1 214 . 1 1 69 69 SER C C 13 172.915 0.000 . . . . . . . 69 SER C . 27401 1 215 . 1 1 69 69 SER CA C 13 58.617 0.000 . . . . . . . 69 SER CA . 27401 1 216 . 1 1 69 69 SER CB C 13 63.748 0.000 . . . . . . . 69 SER CB . 27401 1 217 . 1 1 69 69 SER N N 15 115.480 0.076 . . . . . . . 69 SER N . 27401 1 218 . 1 1 70 70 LYS H H 1 8.150 0.002 . . . . . . . 70 LYS HN . 27401 1 219 . 1 1 70 70 LYS CA C 13 56.377 0.000 . . . . . . . 70 LYS CA . 27401 1 220 . 1 1 70 70 LYS CB C 13 33.035 0.000 . . . . . . . 70 LYS CB . 27401 1 221 . 1 1 70 70 LYS N N 15 122.920 0.026 . . . . . . . 70 LYS N . 27401 1 222 . 1 1 71 71 LYS H H 1 8.301 0.002 . . . . . . . 71 LYS HN . 27401 1 223 . 1 1 71 71 LYS CA C 13 56.405 0.000 . . . . . . . 71 LYS CA . 27401 1 224 . 1 1 71 71 LYS CB C 13 33.073 0.000 . . . . . . . 71 LYS CB . 27401 1 225 . 1 1 71 71 LYS N N 15 122.311 0.045 . . . . . . . 71 LYS N . 27401 1 226 . 1 1 72 72 THR H H 1 8.159 0.004 . . . . . . . 72 THR HN . 27401 1 227 . 1 1 72 72 THR CA C 13 62.023 0.000 . . . . . . . 72 THR CA . 27401 1 228 . 1 1 72 72 THR CB C 13 69.850 0.000 . . . . . . . 72 THR CB . 27401 1 229 . 1 1 72 72 THR N N 15 115.190 0.039 . . . . . . . 72 THR N . 27401 1 230 . 1 1 73 73 GLY H H 1 8.416 0.006 . . . . . . . 73 GLY HN . 27401 1 231 . 1 1 73 73 GLY C C 13 174.472 0.000 . . . . . . . 73 GLY C . 27401 1 232 . 1 1 73 73 GLY N N 15 111.208 0.042 . . . . . . . 73 GLY N . 27401 1 233 . 1 1 74 74 SER H H 1 8.291 0.003 . . . . . . . 74 SER HN . 27401 1 234 . 1 1 74 74 SER C C 13 175.229 0.000 . . . . . . . 74 SER C . 27401 1 235 . 1 1 74 74 SER CA C 13 58.602 0.000 . . . . . . . 74 SER CA . 27401 1 236 . 1 1 74 74 SER CB C 13 63.797 0.000 . . . . . . . 74 SER CB . 27401 1 237 . 1 1 74 74 SER N N 15 115.806 0.055 . . . . . . . 74 SER N . 27401 1 238 . 1 1 76 76 GLY H H 1 8.436 0.004 . . . . . . . 76 GLY HN . 27401 1 239 . 1 1 76 76 GLY C C 13 174.217 0.000 . . . . . . . 76 GLY C . 27401 1 240 . 1 1 76 76 GLY CA C 13 45.131 0.000 . . . . . . . 76 GLY CA . 27401 1 241 . 1 1 76 76 GLY N N 15 109.145 0.055 . . . . . . . 76 GLY N . 27401 1 242 . 1 1 77 77 GLY H H 1 8.091 0.003 . . . . . . . 77 GLY HN . 27401 1 243 . 1 1 77 77 GLY C C 13 172.008 0.000 . . . . . . . 77 GLY C . 27401 1 244 . 1 1 77 77 GLY CA C 13 44.606 0.000 . . . . . . . 77 GLY CA . 27401 1 245 . 1 1 77 77 GLY N N 15 108.792 0.047 . . . . . . . 77 GLY N . 27401 1 246 . 1 1 79 79 GLY H H 1 8.518 0.010 . . . . . . . 79 GLY HN . 27401 1 247 . 1 1 79 79 GLY C C 13 174.238 0.000 . . . . . . . 79 GLY C . 27401 1 248 . 1 1 79 79 GLY CA C 13 45.304 0.000 . . . . . . . 79 GLY CA . 27401 1 249 . 1 1 79 79 GLY N N 15 109.342 0.043 . . . . . . . 79 GLY N . 27401 1 250 . 1 1 80 80 VAL H H 1 7.970 0.003 . . . . . . . 80 VAL HN . 27401 1 251 . 1 1 80 80 VAL C C 13 176.500 0.000 . . . . . . . 80 VAL C . 27401 1 252 . 1 1 80 80 VAL CA C 13 62.212 0.000 . . . . . . . 80 VAL CA . 27401 1 253 . 1 1 80 80 VAL CB C 13 32.844 0.000 . . . . . . . 80 VAL CB . 27401 1 254 . 1 1 80 80 VAL N N 15 119.036 0.028 . . . . . . . 80 VAL N . 27401 1 255 . 1 1 81 81 SER H H 1 8.467 0.005 . . . . . . . 81 SER HN . 27401 1 256 . 1 1 81 81 SER C C 13 175.113 0.000 . . . . . . . 81 SER C . 27401 1 257 . 1 1 81 81 SER CA C 13 58.504 0.000 . . . . . . . 81 SER CA . 27401 1 258 . 1 1 81 81 SER CB C 13 63.753 0.000 . . . . . . . 81 SER CB . 27401 1 259 . 1 1 81 81 SER N N 15 119.436 0.012 . . . . . . . 81 SER N . 27401 1 260 . 1 1 82 82 GLY H H 1 8.456 0.010 . . . . . . . 82 GLY HN . 27401 1 261 . 1 1 82 82 GLY C C 13 174.575 0.000 . . . . . . . 82 GLY C . 27401 1 262 . 1 1 82 82 GLY CA C 13 45.409 0.000 . . . . . . . 82 GLY CA . 27401 1 263 . 1 1 82 82 GLY N N 15 111.270 0.068 . . . . . . . 82 GLY N . 27401 1 264 . 1 1 83 83 GLY H H 1 8.258 0.009 . . . . . . . 83 GLY HN . 27401 1 265 . 1 1 83 83 GLY C C 13 173.825 0.000 . . . . . . . 83 GLY C . 27401 1 266 . 1 1 83 83 GLY CA C 13 45.116 0.000 . . . . . . . 83 GLY CA . 27401 1 267 . 1 1 83 83 GLY N N 15 108.534 0.057 . . . . . . . 83 GLY N . 27401 1 268 . 1 1 84 84 SER H H 1 8.251 0.003 . . . . . . . 84 SER HN . 27401 1 269 . 1 1 84 84 SER C C 13 172.868 0.000 . . . . . . . 84 SER C . 27401 1 270 . 1 1 84 84 SER CA C 13 56.403 0.000 . . . . . . . 84 SER CA . 27401 1 271 . 1 1 84 84 SER CB C 13 63.398 0.000 . . . . . . . 84 SER CB . 27401 1 272 . 1 1 84 84 SER N N 15 116.799 0.037 . . . . . . . 84 SER N . 27401 1 273 . 1 1 86 86 ALA H H 1 8.419 0.004 . . . . . . . 86 ALA HN . 27401 1 274 . 1 1 86 86 ALA C C 13 178.381 0.000 . . . . . . . 86 ALA C . 27401 1 275 . 1 1 86 86 ALA CA C 13 52.748 0.000 . . . . . . . 86 ALA CA . 27401 1 276 . 1 1 86 86 ALA CB C 13 19.161 0.000 . . . . . . . 86 ALA CB . 27401 1 277 . 1 1 86 86 ALA N N 15 124.431 0.066 . . . . . . . 86 ALA N . 27401 1 278 . 1 1 87 87 GLY H H 1 8.356 0.003 . . . . . . . 87 GLY HN . 27401 1 279 . 1 1 87 87 GLY CA C 13 45.447 0.000 . . . . . . . 87 GLY CA . 27401 1 280 . 1 1 87 87 GLY N N 15 108.241 0.051 . . . . . . . 87 GLY N . 27401 1 281 . 1 1 88 88 GLY H H 1 8.222 0.003 . . . . . . . 88 GLY HN . 27401 1 282 . 1 1 88 88 GLY C C 13 174.103 0.000 . . . . . . . 88 GLY C . 27401 1 283 . 1 1 88 88 GLY CA C 13 45.270 0.000 . . . . . . . 88 GLY CA . 27401 1 284 . 1 1 88 88 GLY N N 15 108.688 0.035 . . . . . . . 88 GLY N . 27401 1 285 . 1 1 89 89 ALA H H 1 8.314 0.003 . . . . . . . 89 ALA HN . 27401 1 286 . 1 1 89 89 ALA C C 13 178.430 0.000 . . . . . . . 89 ALA C . 27401 1 287 . 1 1 89 89 ALA CA C 13 52.709 0.000 . . . . . . . 89 ALA CA . 27401 1 288 . 1 1 89 89 ALA CB C 13 19.356 0.000 . . . . . . . 89 ALA CB . 27401 1 289 . 1 1 89 89 ALA N N 15 123.815 0.023 . . . . . . . 89 ALA N . 27401 1 290 . 1 1 90 90 GLY H H 1 8.466 0.004 . . . . . . . 90 GLY HN . 27401 1 291 . 1 1 90 90 GLY C C 13 174.885 0.000 . . . . . . . 90 GLY C . 27401 1 292 . 1 1 90 90 GLY CA C 13 45.409 0.000 . . . . . . . 90 GLY CA . 27401 1 293 . 1 1 90 90 GLY N N 15 108.306 0.041 . . . . . . . 90 GLY N . 27401 1 294 . 1 1 92 92 GLY H H 1 8.357 0.002 . . . . . . . 92 GLY HN . 27401 1 295 . 1 1 92 92 GLY C C 13 174.501 0.000 . . . . . . . 92 GLY C . 27401 1 296 . 1 1 92 92 GLY CA C 13 45.358 0.000 . . . . . . . 92 GLY CA . 27401 1 297 . 1 1 92 92 GLY N N 15 108.953 0.039 . . . . . . . 92 GLY N . 27401 1 298 . 1 1 93 93 SER H H 1 8.346 0.004 . . . . . . . 93 SER HN . 27401 1 299 . 1 1 93 93 SER C C 13 174.879 0.000 . . . . . . . 93 SER C . 27401 1 300 . 1 1 93 93 SER CA C 13 58.420 0.000 . . . . . . . 93 SER CA . 27401 1 301 . 1 1 93 93 SER CB C 13 63.835 0.000 . . . . . . . 93 SER CB . 27401 1 302 . 1 1 93 93 SER N N 15 115.862 0.036 . . . . . . . 93 SER N . 27401 1 303 . 1 1 94 94 SER H H 1 8.441 0.003 . . . . . . . 94 SER HN . 27401 1 304 . 1 1 94 94 SER C C 13 174.902 0.000 . . . . . . . 94 SER C . 27401 1 305 . 1 1 94 94 SER CA C 13 58.647 0.000 . . . . . . . 94 SER CA . 27401 1 306 . 1 1 94 94 SER CB C 13 63.839 0.000 . . . . . . . 94 SER CB . 27401 1 307 . 1 1 94 94 SER N N 15 117.806 0.022 . . . . . . . 94 SER N . 27401 1 308 . 1 1 95 95 GLY H H 1 8.351 0.004 . . . . . . . 95 GLY HN . 27401 1 309 . 1 1 95 95 GLY C C 13 173.672 0.000 . . . . . . . 95 GLY C . 27401 1 310 . 1 1 95 95 GLY CA C 13 45.166 0.000 . . . . . . . 95 GLY CA . 27401 1 311 . 1 1 95 95 GLY N N 15 110.486 0.052 . . . . . . . 95 GLY N . 27401 1 312 . 1 1 96 96 LEU H H 1 8.047 0.002 . . . . . . . 96 LEU HN . 27401 1 313 . 1 1 96 96 LEU C C 13 174.940 0.000 . . . . . . . 96 LEU C . 27401 1 314 . 1 1 96 96 LEU CA C 13 52.990 0.000 . . . . . . . 96 LEU CA . 27401 1 315 . 1 1 96 96 LEU CB C 13 41.806 0.000 . . . . . . . 96 LEU CB . 27401 1 316 . 1 1 96 96 LEU N N 15 122.818 0.034 . . . . . . . 96 LEU N . 27401 1 317 . 1 1 99 99 SER H H 1 8.415 0.004 . . . . . . . 99 SER HN . 27401 1 318 . 1 1 99 99 SER C C 13 174.943 0.000 . . . . . . . 99 SER C . 27401 1 319 . 1 1 99 99 SER CA C 13 58.261 0.000 . . . . . . . 99 SER CA . 27401 1 320 . 1 1 99 99 SER CB C 13 63.762 0.000 . . . . . . . 99 SER CB . 27401 1 321 . 1 1 99 99 SER N N 15 115.821 0.007 . . . . . . . 99 SER N . 27401 1 322 . 1 1 100 100 THR H H 1 8.199 0.007 . . . . . . . 100 THR HN . 27401 1 323 . 1 1 100 100 THR C C 13 174.296 0.000 . . . . . . . 100 THR C . 27401 1 324 . 1 1 100 100 THR CA C 13 61.932 0.000 . . . . . . . 100 THR CA . 27401 1 325 . 1 1 100 100 THR CB C 13 69.696 0.000 . . . . . . . 100 THR CB . 27401 1 326 . 1 1 100 100 THR N N 15 116.232 0.018 . . . . . . . 100 THR N . 27401 1 327 . 1 1 101 101 LYS H H 1 8.286 0.011 . . . . . . . 101 LYS HN . 27401 1 328 . 1 1 101 101 LYS C C 13 176.292 0.035 . . . . . . . 101 LYS C . 27401 1 329 . 1 1 101 101 LYS CA C 13 56.350 0.000 . . . . . . . 101 LYS CA . 27401 1 330 . 1 1 101 101 LYS CB C 13 33.093 0.000 . . . . . . . 101 LYS CB . 27401 1 331 . 1 1 101 101 LYS N N 15 124.022 0.107 . . . . . . . 101 LYS N . 27401 1 332 . 1 1 102 102 LYS H H 1 8.402 0.001 . . . . . . . 102 LYS HN . 27401 1 333 . 1 1 102 102 LYS CA C 13 56.236 0.000 . . . . . . . 102 LYS CA . 27401 1 334 . 1 1 102 102 LYS CB C 13 33.000 0.000 . . . . . . . 102 LYS CB . 27401 1 335 . 1 1 102 102 LYS N N 15 123.180 0.004 . . . . . . . 102 LYS N . 27401 1 336 . 1 1 105 105 GLN H H 1 8.197 0.004 . . . . . . . 105 GLN HN . 27401 1 337 . 1 1 105 105 GLN CA C 13 55.627 0.000 . . . . . . . 105 GLN CA . 27401 1 338 . 1 1 105 105 GLN CB C 13 29.754 0.000 . . . . . . . 105 GLN CB . 27401 1 339 . 1 1 105 105 GLN N N 15 119.918 0.055 . . . . . . . 105 GLN N . 27401 1 340 . 1 1 106 106 LYS H H 1 8.426 0.005 . . . . . . . 106 LYS HN . 27401 1 341 . 1 1 106 106 LYS C C 13 174.449 0.000 . . . . . . . 106 LYS C . 27401 1 342 . 1 1 106 106 LYS CA C 13 54.395 0.009 . . . . . . . 106 LYS CA . 27401 1 343 . 1 1 106 106 LYS CB C 13 32.523 0.000 . . . . . . . 106 LYS CB . 27401 1 344 . 1 1 106 106 LYS N N 15 124.559 0.035 . . . . . . . 106 LYS N . 27401 1 345 . 1 1 108 108 VAL H H 1 8.254 0.005 . . . . . . . 108 VAL HN . 27401 1 346 . 1 1 108 108 VAL C C 13 176.042 0.000 . . . . . . . 108 VAL C . 27401 1 347 . 1 1 108 108 VAL CA C 13 62.377 0.000 . . . . . . . 108 VAL CA . 27401 1 348 . 1 1 108 108 VAL CB C 13 32.698 0.000 . . . . . . . 108 VAL CB . 27401 1 349 . 1 1 108 108 VAL N N 15 121.031 0.021 . . . . . . . 108 VAL N . 27401 1 350 . 1 1 109 109 LEU H H 1 8.291 0.002 . . . . . . . 109 LEU HN . 27401 1 351 . 1 1 109 109 LEU C C 13 176.603 0.000 . . . . . . . 109 LEU C . 27401 1 352 . 1 1 109 109 LEU CA C 13 54.857 0.000 . . . . . . . 109 LEU CA . 27401 1 353 . 1 1 109 109 LEU CB C 13 42.671 0.000 . . . . . . . 109 LEU CB . 27401 1 354 . 1 1 109 109 LEU N N 15 126.245 0.048 . . . . . . . 109 LEU N . 27401 1 355 . 1 1 110 110 ASP H H 1 8.338 0.003 . . . . . . . 110 ASP HN . 27401 1 356 . 1 1 110 110 ASP C C 13 176.291 0.000 . . . . . . . 110 ASP C . 27401 1 357 . 1 1 110 110 ASP CA C 13 53.885 0.000 . . . . . . . 110 ASP CA . 27401 1 358 . 1 1 110 110 ASP CB C 13 41.299 0.000 . . . . . . . 110 ASP CB . 27401 1 359 . 1 1 110 110 ASP N N 15 122.331 0.047 . . . . . . . 110 ASP N . 27401 1 360 . 1 1 111 111 VAL H H 1 8.082 0.005 . . . . . . . 111 VAL HN . 27401 1 361 . 1 1 111 111 VAL C C 13 176.290 0.000 . . . . . . . 111 VAL C . 27401 1 362 . 1 1 111 111 VAL CA C 13 62.866 0.009 . . . . . . . 111 VAL CA . 27401 1 363 . 1 1 111 111 VAL CB C 13 32.395 0.001 . . . . . . . 111 VAL CB . 27401 1 364 . 1 1 111 111 VAL N N 15 120.633 0.126 . . . . . . . 111 VAL N . 27401 1 365 . 1 1 112 112 HIS H H 1 8.440 0.008 . . . . . . . 112 HIS HN . 27401 1 366 . 1 1 112 112 HIS CA C 13 56.081 0.000 . . . . . . . 112 HIS CA . 27401 1 367 . 1 1 112 112 HIS CB C 13 29.539 0.001 . . . . . . . 112 HIS CB . 27401 1 368 . 1 1 112 112 HIS N N 15 121.735 0.103 . . . . . . . 112 HIS N . 27401 1 369 . 1 1 113 113 ALA H H 1 8.138 0.003 . . . . . . . 113 ALA HN . 27401 1 370 . 1 1 113 113 ALA C C 13 177.984 0.000 . . . . . . . 113 ALA C . 27401 1 371 . 1 1 113 113 ALA CA C 13 53.062 0.010 . . . . . . . 113 ALA CA . 27401 1 372 . 1 1 113 113 ALA CB C 13 19.363 0.057 . . . . . . . 113 ALA CB . 27401 1 373 . 1 1 113 113 ALA N N 15 124.765 0.075 . . . . . . . 113 ALA N . 27401 1 374 . 1 1 114 114 GLU H H 1 8.429 0.004 . . . . . . . 114 GLU HN . 27401 1 375 . 1 1 114 114 GLU C C 13 176.919 0.000 . . . . . . . 114 GLU C . 27401 1 376 . 1 1 114 114 GLU CA C 13 56.942 0.000 . . . . . . . 114 GLU CA . 27401 1 377 . 1 1 114 114 GLU CB C 13 29.941 0.000 . . . . . . . 114 GLU CB . 27401 1 378 . 1 1 114 114 GLU N N 15 119.860 0.054 . . . . . . . 114 GLU N . 27401 1 379 . 1 1 115 115 LEU H H 1 8.145 0.002 . . . . . . . 115 LEU HN . 27401 1 380 . 1 1 115 115 LEU C C 13 177.660 0.000 . . . . . . . 115 LEU C . 27401 1 381 . 1 1 115 115 LEU CA C 13 55.674 0.000 . . . . . . . 115 LEU CA . 27401 1 382 . 1 1 115 115 LEU CB C 13 42.352 0.000 . . . . . . . 115 LEU CB . 27401 1 383 . 1 1 115 115 LEU N N 15 122.034 0.064 . . . . . . . 115 LEU N . 27401 1 384 . 1 1 116 116 ASP H H 1 8.257 0.002 . . . . . . . 116 ASP HN . 27401 1 385 . 1 1 116 116 ASP C C 13 176.591 0.000 . . . . . . . 116 ASP C . 27401 1 386 . 1 1 116 116 ASP CA C 13 54.959 0.009 . . . . . . . 116 ASP CA . 27401 1 387 . 1 1 116 116 ASP CB C 13 41.274 0.000 . . . . . . . 116 ASP CB . 27401 1 388 . 1 1 116 116 ASP N N 15 120.330 0.092 . . . . . . . 116 ASP N . 27401 1 389 . 1 1 117 117 ARG H H 1 8.093 0.006 . . . . . . . 117 ARG HN . 27401 1 390 . 1 1 117 117 ARG C C 13 176.622 0.000 . . . . . . . 117 ARG C . 27401 1 391 . 1 1 117 117 ARG CA C 13 56.938 0.000 . . . . . . . 117 ARG CA . 27401 1 392 . 1 1 117 117 ARG CB C 13 30.687 0.000 . . . . . . . 117 ARG CB . 27401 1 393 . 1 1 117 117 ARG N N 15 120.647 0.075 . . . . . . . 117 ARG N . 27401 1 394 . 1 1 118 118 ILE H H 1 8.083 0.004 . . . . . . . 118 ILE HN . 27401 1 395 . 1 1 118 118 ILE C C 13 176.782 0.000 . . . . . . . 118 ILE C . 27401 1 396 . 1 1 118 118 ILE CA C 13 61.654 0.000 . . . . . . . 118 ILE CA . 27401 1 397 . 1 1 118 118 ILE CB C 13 38.541 0.000 . . . . . . . 118 ILE CB . 27401 1 398 . 1 1 118 118 ILE N N 15 120.316 0.130 . . . . . . . 118 ILE N . 27401 1 399 . 1 1 119 119 THR H H 1 8.230 0.003 . . . . . . . 119 THR HN . 27401 1 400 . 1 1 119 119 THR C C 13 174.495 0.000 . . . . . . . 119 THR C . 27401 1 401 . 1 1 119 119 THR CA C 13 62.335 0.000 . . . . . . . 119 THR CA . 27401 1 402 . 1 1 119 119 THR CB C 13 69.657 0.000 . . . . . . . 119 THR CB . 27401 1 403 . 1 1 119 119 THR N N 15 117.332 0.081 . . . . . . . 119 THR N . 27401 1 404 . 1 1 120 120 ARG H H 1 8.218 0.010 . . . . . . . 120 ARG HN . 27401 1 405 . 1 1 120 120 ARG C C 13 175.631 0.000 . . . . . . . 120 ARG C . 27401 1 406 . 1 1 120 120 ARG CA C 13 56.075 0.000 . . . . . . . 120 ARG CA . 27401 1 407 . 1 1 120 120 ARG CB C 13 30.495 0.000 . . . . . . . 120 ARG CB . 27401 1 408 . 1 1 120 120 ARG N N 15 123.215 0.084 . . . . . . . 120 ARG N . 27401 1 409 . 1 1 121 121 LYS H H 1 8.267 0.012 . . . . . . . 121 LYS HN . 27401 1 410 . 1 1 121 121 LYS C C 13 174.394 0.000 . . . . . . . 121 LYS C . 27401 1 411 . 1 1 121 121 LYS CA C 13 54.272 0.000 . . . . . . . 121 LYS CA . 27401 1 412 . 1 1 121 121 LYS CB C 13 32.565 0.000 . . . . . . . 121 LYS CB . 27401 1 413 . 1 1 121 121 LYS N N 15 123.905 0.036 . . . . . . . 121 LYS N . 27401 1 414 . 1 1 123 123 VAL H H 1 8.305 0.003 . . . . . . . 123 VAL HN . 27401 1 415 . 1 1 123 123 VAL C C 13 176.382 0.000 . . . . . . . 123 VAL C . 27401 1 416 . 1 1 123 123 VAL CA C 13 62.604 0.000 . . . . . . . 123 VAL CA . 27401 1 417 . 1 1 123 123 VAL CB C 13 32.832 0.000 . . . . . . . 123 VAL CB . 27401 1 418 . 1 1 123 123 VAL N N 15 121.010 0.042 . . . . . . . 123 VAL N . 27401 1 419 . 1 1 124 124 THR H H 1 8.261 0.005 . . . . . . . 124 THR HN . 27401 1 420 . 1 1 124 124 THR C C 13 174.141 0.000 . . . . . . . 124 THR C . 27401 1 421 . 1 1 124 124 THR CA C 13 61.601 0.000 . . . . . . . 124 THR CA . 27401 1 422 . 1 1 124 124 THR CB C 13 69.923 0.000 . . . . . . . 124 THR CB . 27401 1 423 . 1 1 124 124 THR N N 15 118.989 0.046 . . . . . . . 124 THR N . 27401 1 424 . 1 1 125 125 VAL H H 1 8.250 0.004 . . . . . . . 125 VAL HN . 27401 1 425 . 1 1 125 125 VAL C C 13 175.738 0.000 . . . . . . . 125 VAL C . 27401 1 426 . 1 1 125 125 VAL CA C 13 61.834 0.011 . . . . . . . 125 VAL CA . 27401 1 427 . 1 1 125 125 VAL CB C 13 33.086 0.000 . . . . . . . 125 VAL CB . 27401 1 428 . 1 1 125 125 VAL N N 15 123.258 0.078 . . . . . . . 125 VAL N . 27401 1 429 . 1 1 126 126 SER H H 1 8.486 0.003 . . . . . . . 126 SER HN . 27401 1 430 . 1 1 126 126 SER C C 13 172.766 0.000 . . . . . . . 126 SER C . 27401 1 431 . 1 1 126 126 SER CA C 13 56.302 0.000 . . . . . . . 126 SER CA . 27401 1 432 . 1 1 126 126 SER CB C 13 63.321 0.000 . . . . . . . 126 SER CB . 27401 1 433 . 1 1 126 126 SER N N 15 121.752 0.034 . . . . . . . 126 SER N . 27401 1 434 . 1 1 128 128 THR H H 1 8.224 0.004 . . . . . . . 128 THR HN . 27401 1 435 . 1 1 128 128 THR C C 13 174.546 0.000 . . . . . . . 128 THR C . 27401 1 436 . 1 1 128 128 THR CA C 13 61.864 0.000 . . . . . . . 128 THR CA . 27401 1 437 . 1 1 128 128 THR CB C 13 69.701 0.000 . . . . . . . 128 THR CB . 27401 1 438 . 1 1 128 128 THR N N 15 113.961 0.046 . . . . . . . 128 THR N . 27401 1 439 . 1 1 129 129 THR H H 1 8.157 0.002 . . . . . . . 129 THR HN . 27401 1 440 . 1 1 129 129 THR C C 13 172.715 0.000 . . . . . . . 129 THR C . 27401 1 441 . 1 1 129 129 THR CA C 13 59.887 0.000 . . . . . . . 129 THR CA . 27401 1 442 . 1 1 129 129 THR CB C 13 69.908 0.000 . . . . . . . 129 THR CB . 27401 1 443 . 1 1 129 129 THR N N 15 119.300 0.031 . . . . . . . 129 THR N . 27401 1 444 . 1 1 131 131 THR H H 1 8.281 0.002 . . . . . . . 131 THR HN . 27401 1 445 . 1 1 131 131 THR C C 13 174.417 0.000 . . . . . . . 131 THR C . 27401 1 446 . 1 1 131 131 THR CA C 13 61.804 0.000 . . . . . . . 131 THR CA . 27401 1 447 . 1 1 131 131 THR CB C 13 69.876 0.000 . . . . . . . 131 THR CB . 27401 1 448 . 1 1 131 131 THR N N 15 114.581 0.120 . . . . . . . 131 THR N . 27401 1 449 . 1 1 132 132 SER H H 1 8.345 0.003 . . . . . . . 132 SER HN . 27401 1 450 . 1 1 132 132 SER C C 13 172.833 0.000 . . . . . . . 132 SER C . 27401 1 451 . 1 1 132 132 SER CA C 13 56.347 0.000 . . . . . . . 132 SER CA . 27401 1 452 . 1 1 132 132 SER CB C 13 63.432 0.000 . . . . . . . 132 SER CB . 27401 1 453 . 1 1 132 132 SER N N 15 119.591 0.040 . . . . . . . 132 SER N . 27401 1 454 . 1 1 134 134 THR H H 1 8.226 0.000 . . . . . . . 134 THR HN . 27401 1 455 . 1 1 134 134 THR N N 15 113.986 0.000 . . . . . . . 134 THR N . 27401 1 456 . 1 1 135 135 GLU H H 1 8.344 0.002 . . . . . . . 135 GLU HN . 27401 1 457 . 1 1 135 135 GLU C C 13 176.907 0.000 . . . . . . . 135 GLU C . 27401 1 458 . 1 1 135 135 GLU CA C 13 56.878 0.000 . . . . . . . 135 GLU CA . 27401 1 459 . 1 1 135 135 GLU CB C 13 30.388 0.000 . . . . . . . 135 GLU CB . 27401 1 460 . 1 1 135 135 GLU N N 15 123.185 0.040 . . . . . . . 135 GLU N . 27401 1 461 . 1 1 136 136 GLY H H 1 8.411 0.003 . . . . . . . 136 GLY HN . 27401 1 462 . 1 1 136 136 GLY C C 13 174.217 0.000 . . . . . . . 136 GLY C . 27401 1 463 . 1 1 136 136 GLY CA C 13 45.355 0.000 . . . . . . . 136 GLY CA . 27401 1 464 . 1 1 136 136 GLY N N 15 109.940 0.045 . . . . . . . 136 GLY N . 27401 1 465 . 1 1 137 137 GLU H H 1 8.249 0.002 . . . . . . . 137 GLU HN . 27401 1 466 . 1 1 137 137 GLU C C 13 176.641 0.000 . . . . . . . 137 GLU C . 27401 1 467 . 1 1 137 137 GLU CA C 13 56.642 0.000 . . . . . . . 137 GLU CA . 27401 1 468 . 1 1 137 137 GLU CB C 13 30.374 0.000 . . . . . . . 137 GLU CB . 27401 1 469 . 1 1 137 137 GLU N N 15 120.901 0.065 . . . . . . . 137 GLU N . 27401 1 470 . 1 1 138 138 ALA H H 1 8.432 0.003 . . . . . . . 138 ALA HN . 27401 1 471 . 1 1 138 138 ALA C C 13 177.952 0.000 . . . . . . . 138 ALA C . 27401 1 472 . 1 1 138 138 ALA CA C 13 52.736 0.000 . . . . . . . 138 ALA CA . 27401 1 473 . 1 1 138 138 ALA CB C 13 19.115 0.000 . . . . . . . 138 ALA CB . 27401 1 474 . 1 1 138 138 ALA N N 15 125.094 0.089 . . . . . . . 138 ALA N . 27401 1 475 . 1 1 139 139 SER H H 1 8.285 0.003 . . . . . . . 139 SER HN . 27401 1 476 . 1 1 139 139 SER C C 13 175.296 0.001 . . . . . . . 139 SER C . 27401 1 477 . 1 1 139 139 SER CA C 13 58.578 0.003 . . . . . . . 139 SER CA . 27401 1 478 . 1 1 139 139 SER CB C 13 63.888 0.055 . . . . . . . 139 SER CB . 27401 1 479 . 1 1 139 139 SER N N 15 115.024 0.167 . . . . . . . 139 SER N . 27401 1 480 . 1 1 140 140 GLY H H 1 8.406 0.002 . . . . . . . 140 GLY HN . 27401 1 481 . 1 1 140 140 GLY C C 13 174.488 0.000 . . . . . . . 140 GLY C . 27401 1 482 . 1 1 140 140 GLY CA C 13 45.433 0.025 . . . . . . . 140 GLY CA . 27401 1 483 . 1 1 140 140 GLY N N 15 110.952 0.063 . . . . . . . 140 GLY N . 27401 1 stop_ save_