data_28041 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28041 _Entry.Title ; Backbone and CB Chemical Shift Assignments of Vibrio cholerae RfaH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-12 _Entry.Accession_date 2019-11-12 _Entry.Last_release_date 2019-11-12 _Entry.Original_release_date 2019-11-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Philipp Zuber . K. . . 28041 2 Kristian Schweimer . . . . 28041 3 Stefan Knauer . H. . . 28041 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Chair of Biopolymers; University of Bayreuth' . 28041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 28041 '15N chemical shifts' 151 28041 '1H chemical shifts' 151 28041 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 . . 2023-01-09 . original BMRB . 28041 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28039 'hSpt5-KOW5 monomer' 28041 BMRB 28040 'MjSpt5-KOW monomer' 28041 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28041 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36255050 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and thermodynamic analyses of the beta-to-alpha transformation in RfaH reveal principles of fold-switching proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 11 _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 e76630 _Citation.Page_last e76630 _Citation.Year 2022 _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 Philipp Zuber . K. . . 28041 1 2 Tina Daviter . . . . 28041 1 3 Ramona Heissmann . . . . 28041 1 4 Ulrike Persau . . . . 28041 1 5 Kristian Schweimer . . . . 28041 1 6 Stefan Knauer . H. . . 28041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28041 _Assembly.ID 1 _Assembly.Name 'VcRfaH monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19300 _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 'VcRfaH monomer' 1 $VcRfaH A . yes native no no . . . 28041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VcRfaH _Entity.Sf_category entity _Entity.Sf_framecode VcRfaH _Entity.Entry_ID 28041 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VcRfaH _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 ; MKRWYLLYCKRGEQQRAKMH LENQSVECFYPEVCVEKILR GKRQMVQEPLFPSYMFVRFD FENGPSFTTVRSTRGVVDFV RLGPHPRELQGDLIYQLKQL DCEQLKHATKQLPEKGQTVR VARGQFAGIEAIYLEPDGDT RSIMLVKMISQQVPMSIENT DWEVA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 165 changed from T (WT sequence) to A to enable cleavage of Intein-CBD tag' _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 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation T165A _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_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 . yes UNP Q9KTB3 . Q9KTB3_VIBCH . . . . . . . . . . . . . . 28041 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Transcription antitermination factor' 28041 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 . 28041 1 2 . LYS . 28041 1 3 . ARG . 28041 1 4 . TRP . 28041 1 5 . TYR . 28041 1 6 . LEU . 28041 1 7 . LEU . 28041 1 8 . TYR . 28041 1 9 . CYS . 28041 1 10 . LYS . 28041 1 11 . ARG . 28041 1 12 . GLY . 28041 1 13 . GLU . 28041 1 14 . GLN . 28041 1 15 . GLN . 28041 1 16 . ARG . 28041 1 17 . ALA . 28041 1 18 . LYS . 28041 1 19 . MET . 28041 1 20 . HIS . 28041 1 21 . LEU . 28041 1 22 . GLU . 28041 1 23 . ASN . 28041 1 24 . GLN . 28041 1 25 . SER . 28041 1 26 . VAL . 28041 1 27 . GLU . 28041 1 28 . CYS . 28041 1 29 . PHE . 28041 1 30 . TYR . 28041 1 31 . PRO . 28041 1 32 . GLU . 28041 1 33 . VAL . 28041 1 34 . CYS . 28041 1 35 . VAL . 28041 1 36 . GLU . 28041 1 37 . LYS . 28041 1 38 . ILE . 28041 1 39 . LEU . 28041 1 40 . ARG . 28041 1 41 . GLY . 28041 1 42 . LYS . 28041 1 43 . ARG . 28041 1 44 . GLN . 28041 1 45 . MET . 28041 1 46 . VAL . 28041 1 47 . GLN . 28041 1 48 . GLU . 28041 1 49 . PRO . 28041 1 50 . LEU . 28041 1 51 . PHE . 28041 1 52 . PRO . 28041 1 53 . SER . 28041 1 54 . TYR . 28041 1 55 . MET . 28041 1 56 . PHE . 28041 1 57 . VAL . 28041 1 58 . ARG . 28041 1 59 . PHE . 28041 1 60 . ASP . 28041 1 61 . PHE . 28041 1 62 . GLU . 28041 1 63 . ASN . 28041 1 64 . GLY . 28041 1 65 . PRO . 28041 1 66 . SER . 28041 1 67 . PHE . 28041 1 68 . THR . 28041 1 69 . THR . 28041 1 70 . VAL . 28041 1 71 . ARG . 28041 1 72 . SER . 28041 1 73 . THR . 28041 1 74 . ARG . 28041 1 75 . GLY . 28041 1 76 . VAL . 28041 1 77 . VAL . 28041 1 78 . ASP . 28041 1 79 . PHE . 28041 1 80 . VAL . 28041 1 81 . ARG . 28041 1 82 . LEU . 28041 1 83 . GLY . 28041 1 84 . PRO . 28041 1 85 . HIS . 28041 1 86 . PRO . 28041 1 87 . ARG . 28041 1 88 . GLU . 28041 1 89 . LEU . 28041 1 90 . GLN . 28041 1 91 . GLY . 28041 1 92 . ASP . 28041 1 93 . LEU . 28041 1 94 . ILE . 28041 1 95 . TYR . 28041 1 96 . GLN . 28041 1 97 . LEU . 28041 1 98 . LYS . 28041 1 99 . GLN . 28041 1 100 . LEU . 28041 1 101 . ASP . 28041 1 102 . CYS . 28041 1 103 . GLU . 28041 1 104 . GLN . 28041 1 105 . LEU . 28041 1 106 . LYS . 28041 1 107 . HIS . 28041 1 108 . ALA . 28041 1 109 . THR . 28041 1 110 . LYS . 28041 1 111 . GLN . 28041 1 112 . LEU . 28041 1 113 . PRO . 28041 1 114 . GLU . 28041 1 115 . LYS . 28041 1 116 . GLY . 28041 1 117 . GLN . 28041 1 118 . THR . 28041 1 119 . VAL . 28041 1 120 . ARG . 28041 1 121 . VAL . 28041 1 122 . ALA . 28041 1 123 . ARG . 28041 1 124 . GLY . 28041 1 125 . GLN . 28041 1 126 . PHE . 28041 1 127 . ALA . 28041 1 128 . GLY . 28041 1 129 . ILE . 28041 1 130 . GLU . 28041 1 131 . ALA . 28041 1 132 . ILE . 28041 1 133 . TYR . 28041 1 134 . LEU . 28041 1 135 . GLU . 28041 1 136 . PRO . 28041 1 137 . ASP . 28041 1 138 . GLY . 28041 1 139 . ASP . 28041 1 140 . THR . 28041 1 141 . ARG . 28041 1 142 . SER . 28041 1 143 . ILE . 28041 1 144 . MET . 28041 1 145 . LEU . 28041 1 146 . VAL . 28041 1 147 . LYS . 28041 1 148 . MET . 28041 1 149 . ILE . 28041 1 150 . SER . 28041 1 151 . GLN . 28041 1 152 . GLN . 28041 1 153 . VAL . 28041 1 154 . PRO . 28041 1 155 . MET . 28041 1 156 . SER . 28041 1 157 . ILE . 28041 1 158 . GLU . 28041 1 159 . ASN . 28041 1 160 . THR . 28041 1 161 . ASP . 28041 1 162 . TRP . 28041 1 163 . GLU . 28041 1 164 . VAL . 28041 1 165 . ALA . 28041 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 28041 1 . LYS 2 2 28041 1 . ARG 3 3 28041 1 . TRP 4 4 28041 1 . TYR 5 5 28041 1 . LEU 6 6 28041 1 . LEU 7 7 28041 1 . TYR 8 8 28041 1 . CYS 9 9 28041 1 . LYS 10 10 28041 1 . ARG 11 11 28041 1 . GLY 12 12 28041 1 . GLU 13 13 28041 1 . GLN 14 14 28041 1 . GLN 15 15 28041 1 . ARG 16 16 28041 1 . ALA 17 17 28041 1 . LYS 18 18 28041 1 . MET 19 19 28041 1 . HIS 20 20 28041 1 . LEU 21 21 28041 1 . GLU 22 22 28041 1 . ASN 23 23 28041 1 . GLN 24 24 28041 1 . SER 25 25 28041 1 . VAL 26 26 28041 1 . GLU 27 27 28041 1 . CYS 28 28 28041 1 . PHE 29 29 28041 1 . TYR 30 30 28041 1 . PRO 31 31 28041 1 . GLU 32 32 28041 1 . VAL 33 33 28041 1 . CYS 34 34 28041 1 . VAL 35 35 28041 1 . GLU 36 36 28041 1 . LYS 37 37 28041 1 . ILE 38 38 28041 1 . LEU 39 39 28041 1 . ARG 40 40 28041 1 . GLY 41 41 28041 1 . LYS 42 42 28041 1 . ARG 43 43 28041 1 . GLN 44 44 28041 1 . MET 45 45 28041 1 . VAL 46 46 28041 1 . GLN 47 47 28041 1 . GLU 48 48 28041 1 . PRO 49 49 28041 1 . LEU 50 50 28041 1 . PHE 51 51 28041 1 . PRO 52 52 28041 1 . SER 53 53 28041 1 . TYR 54 54 28041 1 . MET 55 55 28041 1 . PHE 56 56 28041 1 . VAL 57 57 28041 1 . ARG 58 58 28041 1 . PHE 59 59 28041 1 . ASP 60 60 28041 1 . PHE 61 61 28041 1 . GLU 62 62 28041 1 . ASN 63 63 28041 1 . GLY 64 64 28041 1 . PRO 65 65 28041 1 . SER 66 66 28041 1 . PHE 67 67 28041 1 . THR 68 68 28041 1 . THR 69 69 28041 1 . VAL 70 70 28041 1 . ARG 71 71 28041 1 . SER 72 72 28041 1 . THR 73 73 28041 1 . ARG 74 74 28041 1 . GLY 75 75 28041 1 . VAL 76 76 28041 1 . VAL 77 77 28041 1 . ASP 78 78 28041 1 . PHE 79 79 28041 1 . VAL 80 80 28041 1 . ARG 81 81 28041 1 . LEU 82 82 28041 1 . GLY 83 83 28041 1 . PRO 84 84 28041 1 . HIS 85 85 28041 1 . PRO 86 86 28041 1 . ARG 87 87 28041 1 . GLU 88 88 28041 1 . LEU 89 89 28041 1 . GLN 90 90 28041 1 . GLY 91 91 28041 1 . ASP 92 92 28041 1 . LEU 93 93 28041 1 . ILE 94 94 28041 1 . TYR 95 95 28041 1 . GLN 96 96 28041 1 . LEU 97 97 28041 1 . LYS 98 98 28041 1 . GLN 99 99 28041 1 . LEU 100 100 28041 1 . ASP 101 101 28041 1 . CYS 102 102 28041 1 . GLU 103 103 28041 1 . GLN 104 104 28041 1 . LEU 105 105 28041 1 . LYS 106 106 28041 1 . HIS 107 107 28041 1 . ALA 108 108 28041 1 . THR 109 109 28041 1 . LYS 110 110 28041 1 . GLN 111 111 28041 1 . LEU 112 112 28041 1 . PRO 113 113 28041 1 . GLU 114 114 28041 1 . LYS 115 115 28041 1 . GLY 116 116 28041 1 . GLN 117 117 28041 1 . THR 118 118 28041 1 . VAL 119 119 28041 1 . ARG 120 120 28041 1 . VAL 121 121 28041 1 . ALA 122 122 28041 1 . ARG 123 123 28041 1 . GLY 124 124 28041 1 . GLN 125 125 28041 1 . PHE 126 126 28041 1 . ALA 127 127 28041 1 . GLY 128 128 28041 1 . ILE 129 129 28041 1 . GLU 130 130 28041 1 . ALA 131 131 28041 1 . ILE 132 132 28041 1 . TYR 133 133 28041 1 . LEU 134 134 28041 1 . GLU 135 135 28041 1 . PRO 136 136 28041 1 . ASP 137 137 28041 1 . GLY 138 138 28041 1 . ASP 139 139 28041 1 . THR 140 140 28041 1 . ARG 141 141 28041 1 . SER 142 142 28041 1 . ILE 143 143 28041 1 . MET 144 144 28041 1 . LEU 145 145 28041 1 . VAL 146 146 28041 1 . LYS 147 147 28041 1 . MET 148 148 28041 1 . ILE 149 149 28041 1 . SER 150 150 28041 1 . GLN 151 151 28041 1 . GLN 152 152 28041 1 . VAL 153 153 28041 1 . PRO 154 154 28041 1 . MET 155 155 28041 1 . SER 156 156 28041 1 . ILE 157 157 28041 1 . GLU 158 158 28041 1 . ASN 159 159 28041 1 . THR 160 160 28041 1 . ASP 161 161 28041 1 . TRP 162 162 28041 1 . GLU 163 163 28041 1 . VAL 164 164 28041 1 . ALA 165 165 28041 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 28041 _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 $VcRfaH . 666 organism . 'Vibrio cholerae' . . . Bacteria . Vibrio cholerae . . . . . . . . . . . rfaH . 28041 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 28041 _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 $VcRfaH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli B 'BL21 (DE3)' . . . . pTYB1 . . . 28041 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28041 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VcRfaH '[U-99% 13C; U-99% 15N; U-80% 2H]' . . 1 $VcRfaH . . 0.3 . . mM . . . . 28041 1 2 'bis-tris propane' 'natural abundance' . . . . . . 25 . . mM . . . . 28041 1 3 'di sodium tartrate' 'natural abundance' . . . . . . 25 . . mM . . . . 28041 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 28041 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 28041 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.125 . M 28041 1 pH 6.5 . pH 28041 1 pressure 1 . atm 28041 1 temperature 293 . K 28041 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28041 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 'v3.5 pl5' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28041 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28041 1 stop_ save_ save_NMRViewJ _Software.Sf_category software _Software.Sf_framecode NMRViewJ _Software.Entry_ID 28041 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version v9.2.0-b2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 28041 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28041 2 'data analysis' . 28041 2 'peak picking' . 28041 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 28041 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Equipped with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 28041 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'Equipped with cryo probe' . . 28041 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 28041 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds were measured as BEST-TROSY versions with Non-uniform sampling' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N BEST-TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 1 4 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 1 7 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28041 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 28041 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Provided Chemical Shifts are uncorrected for Deuterium Shift' 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 . . . . . 28041 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28041 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28041 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 28041 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.20 _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 BEST-TROSY' . . . 28041 1 2 '3D HNCA' . . . 28041 1 3 '3D HNCO' . . . 28041 1 4 '3D HCACO' . . . 28041 1 5 '3D HN(CO)CA' . . . 28041 1 6 '3D HNCACB' . . . 28041 1 7 '3D HN(CO)CACB' . . . 28041 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 1 $TOPSPIN . . 28041 1 2 $NMRViewJ . . 28041 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 172.02 0.20 . 1 . . . . . 1 MET C . 28041 1 2 . 1 . 1 1 1 MET CA C 13 54.70 0.20 . 1 . . . . . 1 MET CA . 28041 1 3 . 1 . 1 1 1 MET CB C 13 32.77 0.20 . 1 . . . . . 1 MET CB . 28041 1 4 . 1 . 1 2 2 LYS H H 1 8.84 0.03 . 1 . . . . . 2 LYS H . 28041 1 5 . 1 . 1 2 2 LYS C C 13 175.28 0.20 . 1 . . . . . 2 LYS C . 28041 1 6 . 1 . 1 2 2 LYS CA C 13 56.69 0.20 . 1 . . . . . 2 LYS CA . 28041 1 7 . 1 . 1 2 2 LYS CB C 13 32.64 0.20 . 1 . . . . . 2 LYS CB . 28041 1 8 . 1 . 1 2 2 LYS N N 15 121.30 0.20 . 1 . . . . . 2 LYS N . 28041 1 9 . 1 . 1 3 3 ARG H H 1 7.70 0.03 . 1 . . . . . 3 ARG H . 28041 1 10 . 1 . 1 3 3 ARG C C 13 172.93 0.20 . 1 . . . . . 3 ARG C . 28041 1 11 . 1 . 1 3 3 ARG CA C 13 54.26 0.20 . 1 . . . . . 3 ARG CA . 28041 1 12 . 1 . 1 3 3 ARG CB C 13 33.73 0.20 . 1 . . . . . 3 ARG CB . 28041 1 13 . 1 . 1 3 3 ARG N N 15 121.73 0.20 . 1 . . . . . 3 ARG N . 28041 1 14 . 1 . 1 4 4 TRP H H 1 8.52 0.03 . 1 . . . . . 4 TRP H . 28041 1 15 . 1 . 1 4 4 TRP C C 13 175.18 0.20 . 1 . . . . . 4 TRP C . 28041 1 16 . 1 . 1 4 4 TRP CA C 13 56.72 0.20 . 1 . . . . . 4 TRP CA . 28041 1 17 . 1 . 1 4 4 TRP CB C 13 32.32 0.20 . 1 . . . . . 4 TRP CB . 28041 1 18 . 1 . 1 4 4 TRP N N 15 118.48 0.20 . 1 . . . . . 4 TRP N . 28041 1 19 . 1 . 1 5 5 TYR H H 1 9.95 0.03 . 1 . . . . . 5 TYR H . 28041 1 20 . 1 . 1 5 5 TYR C C 13 173.97 0.20 . 1 . . . . . 5 TYR C . 28041 1 21 . 1 . 1 5 5 TYR CA C 13 56.23 0.20 . 1 . . . . . 5 TYR CA . 28041 1 22 . 1 . 1 5 5 TYR CB C 13 42.65 0.20 . 1 . . . . . 5 TYR CB . 28041 1 23 . 1 . 1 5 5 TYR N N 15 117.55 0.20 . 1 . . . . . 5 TYR N . 28041 1 24 . 1 . 1 6 6 LEU H H 1 10.42 0.03 . 1 . . . . . 6 LEU H . 28041 1 25 . 1 . 1 6 6 LEU C C 13 174.12 0.20 . 1 . . . . . 6 LEU C . 28041 1 26 . 1 . 1 6 6 LEU CA C 13 53.61 0.20 . 1 . . . . . 6 LEU CA . 28041 1 27 . 1 . 1 6 6 LEU CB C 13 45.88 0.20 . 1 . . . . . 6 LEU CB . 28041 1 28 . 1 . 1 6 6 LEU N N 15 123.82 0.20 . 1 . . . . . 6 LEU N . 28041 1 29 . 1 . 1 7 7 LEU H H 1 9.19 0.03 . 1 . . . . . 7 LEU H . 28041 1 30 . 1 . 1 7 7 LEU C C 13 174.97 0.20 . 1 . . . . . 7 LEU C . 28041 1 31 . 1 . 1 7 7 LEU CA C 13 52.91 0.20 . 1 . . . . . 7 LEU CA . 28041 1 32 . 1 . 1 7 7 LEU CB C 13 44.08 0.20 . 1 . . . . . 7 LEU CB . 28041 1 33 . 1 . 1 7 7 LEU N N 15 123.22 0.20 . 1 . . . . . 7 LEU N . 28041 1 34 . 1 . 1 8 8 TYR H H 1 8.64 0.03 . 1 . . . . . 8 TYR H . 28041 1 35 . 1 . 1 8 8 TYR CA C 13 54.72 0.20 . 1 . . . . . 8 TYR CA . 28041 1 36 . 1 . 1 8 8 TYR CB C 13 39.17 0.20 . 1 . . . . . 8 TYR CB . 28041 1 37 . 1 . 1 8 8 TYR N N 15 120.66 0.20 . 1 . . . . . 8 TYR N . 28041 1 38 . 1 . 1 9 9 CYS C C 13 173.00 0.20 . 1 . . . . . 9 CYS C . 28041 1 39 . 1 . 1 9 9 CYS CA C 13 57.58 0.20 . 1 . . . . . 9 CYS CA . 28041 1 40 . 1 . 1 9 9 CYS CB C 13 30.12 0.20 . 1 . . . . . 9 CYS CB . 28041 1 41 . 1 . 1 10 10 LYS H H 1 8.36 0.03 . 1 . . . . . 10 LYS H . 28041 1 42 . 1 . 1 10 10 LYS C C 13 177.33 0.20 . 1 . . . . . 10 LYS C . 28041 1 43 . 1 . 1 10 10 LYS CA C 13 55.75 0.20 . 1 . . . . . 10 LYS CA . 28041 1 44 . 1 . 1 10 10 LYS CB C 13 31.82 0.20 . 1 . . . . . 10 LYS CB . 28041 1 45 . 1 . 1 10 10 LYS N N 15 121.60 0.20 . 1 . . . . . 10 LYS N . 28041 1 46 . 1 . 1 11 11 ARG H H 1 8.45 0.03 . 1 . . . . . 11 ARG H . 28041 1 47 . 1 . 1 11 11 ARG C C 13 177.82 0.20 . 1 . . . . . 11 ARG C . 28041 1 48 . 1 . 1 11 11 ARG CA C 13 57.99 0.20 . 1 . . . . . 11 ARG CA . 28041 1 49 . 1 . 1 11 11 ARG CB C 13 29.03 0.20 . 1 . . . . . 11 ARG CB . 28041 1 50 . 1 . 1 11 11 ARG N N 15 125.99 0.20 . 1 . . . . . 11 ARG N . 28041 1 51 . 1 . 1 12 12 GLY C C 13 175.66 0.20 . 1 . . . . . 12 GLY C . 28041 1 52 . 1 . 1 12 12 GLY CA C 13 45.26 0.20 . 1 . . . . . 12 GLY CA . 28041 1 53 . 1 . 1 13 13 GLU H H 1 7.99 0.03 . 1 . . . . . 13 GLU H . 28041 1 54 . 1 . 1 13 13 GLU C C 13 176.28 0.20 . 1 . . . . . 13 GLU C . 28041 1 55 . 1 . 1 13 13 GLU CA C 13 55.33 0.20 . 1 . . . . . 13 GLU CA . 28041 1 56 . 1 . 1 13 13 GLU CB C 13 30.12 0.20 . 1 . . . . . 13 GLU CB . 28041 1 57 . 1 . 1 13 13 GLU N N 15 117.69 0.20 . 1 . . . . . 13 GLU N . 28041 1 58 . 1 . 1 14 14 GLN C C 13 177.02 0.20 . 1 . . . . . 14 GLN C . 28041 1 59 . 1 . 1 14 14 GLN CA C 13 59.87 0.20 . 1 . . . . . 14 GLN CA . 28041 1 60 . 1 . 1 14 14 GLN CB C 13 25.30 0.20 . 1 . . . . . 14 GLN CB . 28041 1 61 . 1 . 1 15 15 GLN H H 1 8.46 0.03 . 1 . . . . . 15 GLN H . 28041 1 62 . 1 . 1 15 15 GLN C C 13 178.82 0.20 . 1 . . . . . 15 GLN C . 28041 1 63 . 1 . 1 15 15 GLN CA C 13 58.75 0.20 . 1 . . . . . 15 GLN CA . 28041 1 64 . 1 . 1 15 15 GLN CB C 13 26.80 0.20 . 1 . . . . . 15 GLN CB . 28041 1 65 . 1 . 1 15 15 GLN N N 15 118.16 0.20 . 1 . . . . . 15 GLN N . 28041 1 66 . 1 . 1 16 16 ARG H H 1 7.63 0.03 . 1 . . . . . 16 ARG H . 28041 1 67 . 1 . 1 16 16 ARG C C 13 178.18 0.20 . 1 . . . . . 16 ARG C . 28041 1 68 . 1 . 1 16 16 ARG CA C 13 58.59 0.20 . 1 . . . . . 16 ARG CA . 28041 1 69 . 1 . 1 16 16 ARG CB C 13 29.12 0.20 . 1 . . . . . 16 ARG CB . 28041 1 70 . 1 . 1 16 16 ARG N N 15 121.08 0.20 . 1 . . . . . 16 ARG N . 28041 1 71 . 1 . 1 17 17 ALA H H 1 8.23 0.03 . 1 . . . . . 17 ALA H . 28041 1 72 . 1 . 1 17 17 ALA C C 13 179.06 0.20 . 1 . . . . . 17 ALA C . 28041 1 73 . 1 . 1 17 17 ALA CA C 13 54.90 0.20 . 1 . . . . . 17 ALA CA . 28041 1 74 . 1 . 1 17 17 ALA CB C 13 17.24 0.20 . 1 . . . . . 17 ALA CB . 28041 1 75 . 1 . 1 17 17 ALA N N 15 122.33 0.20 . 1 . . . . . 17 ALA N . 28041 1 76 . 1 . 1 18 18 LYS H H 1 8.22 0.03 . 1 . . . . . 18 LYS H . 28041 1 77 . 1 . 1 18 18 LYS C C 13 177.43 0.20 . 1 . . . . . 18 LYS C . 28041 1 78 . 1 . 1 18 18 LYS CA C 13 59.15 0.20 . 1 . . . . . 18 LYS CA . 28041 1 79 . 1 . 1 18 18 LYS CB C 13 32.65 0.20 . 1 . . . . . 18 LYS CB . 28041 1 80 . 1 . 1 18 18 LYS N N 15 117.20 0.20 . 1 . . . . . 18 LYS N . 28041 1 81 . 1 . 1 19 19 MET H H 1 7.68 0.03 . 1 . . . . . 19 MET H . 28041 1 82 . 1 . 1 19 19 MET C C 13 179.05 0.20 . 1 . . . . . 19 MET C . 28041 1 83 . 1 . 1 19 19 MET CA C 13 58.52 0.20 . 1 . . . . . 19 MET CA . 28041 1 84 . 1 . 1 19 19 MET CB C 13 32.01 0.20 . 1 . . . . . 19 MET CB . 28041 1 85 . 1 . 1 19 19 MET N N 15 116.69 0.20 . 1 . . . . . 19 MET N . 28041 1 86 . 1 . 1 20 20 HIS H H 1 8.03 0.03 . 1 . . . . . 20 HIS H . 28041 1 87 . 1 . 1 20 20 HIS C C 13 179.46 0.20 . 1 . . . . . 20 HIS C . 28041 1 88 . 1 . 1 20 20 HIS CA C 13 59.23 0.20 . 1 . . . . . 20 HIS CA . 28041 1 89 . 1 . 1 20 20 HIS CB C 13 30.31 0.20 . 1 . . . . . 20 HIS CB . 28041 1 90 . 1 . 1 20 20 HIS N N 15 117.28 0.20 . 1 . . . . . 20 HIS N . 28041 1 91 . 1 . 1 21 21 LEU H H 1 8.89 0.03 . 1 . . . . . 21 LEU H . 28041 1 92 . 1 . 1 21 21 LEU C C 13 180.13 0.20 . 1 . . . . . 21 LEU C . 28041 1 93 . 1 . 1 21 21 LEU CA C 13 57.81 0.20 . 1 . . . . . 21 LEU CA . 28041 1 94 . 1 . 1 21 21 LEU CB C 13 39.95 0.20 . 1 . . . . . 21 LEU CB . 28041 1 95 . 1 . 1 21 21 LEU N N 15 121.52 0.20 . 1 . . . . . 21 LEU N . 28041 1 96 . 1 . 1 22 22 GLU H H 1 9.08 0.03 . 1 . . . . . 22 GLU H . 28041 1 97 . 1 . 1 22 22 GLU C C 13 181.39 0.20 . 1 . . . . . 22 GLU C . 28041 1 98 . 1 . 1 22 22 GLU CA C 13 59.35 0.20 . 1 . . . . . 22 GLU CA . 28041 1 99 . 1 . 1 22 22 GLU CB C 13 27.93 0.20 . 1 . . . . . 22 GLU CB . 28041 1 100 . 1 . 1 22 22 GLU N N 15 121.91 0.20 . 1 . . . . . 22 GLU N . 28041 1 101 . 1 . 1 23 23 ASN H H 1 7.81 0.03 . 1 . . . . . 23 ASN H . 28041 1 102 . 1 . 1 23 23 ASN C C 13 176.17 0.20 . 1 . . . . . 23 ASN C . 28041 1 103 . 1 . 1 23 23 ASN CA C 13 54.74 0.20 . 1 . . . . . 23 ASN CA . 28041 1 104 . 1 . 1 23 23 ASN CB C 13 38.05 0.20 . 1 . . . . . 23 ASN CB . 28041 1 105 . 1 . 1 23 23 ASN N N 15 118.18 0.20 . 1 . . . . . 23 ASN N . 28041 1 106 . 1 . 1 24 24 GLN H H 1 7.63 0.03 . 1 . . . . . 24 GLN H . 28041 1 107 . 1 . 1 24 24 GLN C C 13 175.10 0.20 . 1 . . . . . 24 GLN C . 28041 1 108 . 1 . 1 24 24 GLN CA C 13 54.64 0.20 . 1 . . . . . 24 GLN CA . 28041 1 109 . 1 . 1 24 24 GLN CB C 13 29.18 0.20 . 1 . . . . . 24 GLN CB . 28041 1 110 . 1 . 1 24 24 GLN N N 15 118.21 0.20 . 1 . . . . . 24 GLN N . 28041 1 111 . 1 . 1 25 25 SER H H 1 7.93 0.03 . 1 . . . . . 25 SER H . 28041 1 112 . 1 . 1 25 25 SER C C 13 173.65 0.20 . 1 . . . . . 25 SER C . 28041 1 113 . 1 . 1 25 25 SER CA C 13 59.50 0.20 . 1 . . . . . 25 SER CA . 28041 1 114 . 1 . 1 25 25 SER CB C 13 60.99 0.20 . 1 . . . . . 25 SER CB . 28041 1 115 . 1 . 1 25 25 SER N N 15 109.97 0.20 . 1 . . . . . 25 SER N . 28041 1 116 . 1 . 1 26 26 VAL H H 1 7.80 0.03 . 1 . . . . . 26 VAL H . 28041 1 117 . 1 . 1 26 26 VAL C C 13 175.08 0.20 . 1 . . . . . 26 VAL C . 28041 1 118 . 1 . 1 26 26 VAL CA C 13 61.65 0.20 . 1 . . . . . 26 VAL CA . 28041 1 119 . 1 . 1 26 26 VAL CB C 13 31.38 0.20 . 1 . . . . . 26 VAL CB . 28041 1 120 . 1 . 1 26 26 VAL N N 15 121.08 0.20 . 1 . . . . . 26 VAL N . 28041 1 121 . 1 . 1 27 27 GLU H H 1 7.91 0.03 . 1 . . . . . 27 GLU H . 28041 1 122 . 1 . 1 27 27 GLU C C 13 175.46 0.20 . 1 . . . . . 27 GLU C . 28041 1 123 . 1 . 1 27 27 GLU CA C 13 55.37 0.20 . 1 . . . . . 27 GLU CA . 28041 1 124 . 1 . 1 27 27 GLU CB C 13 29.84 0.20 . 1 . . . . . 27 GLU CB . 28041 1 125 . 1 . 1 27 27 GLU N N 15 128.26 0.20 . 1 . . . . . 27 GLU N . 28041 1 126 . 1 . 1 28 28 CYS H H 1 9.30 0.03 . 1 . . . . . 28 CYS H . 28041 1 127 . 1 . 1 28 28 CYS C C 13 174.57 0.20 . 1 . . . . . 28 CYS C . 28041 1 128 . 1 . 1 28 28 CYS CA C 13 58.05 0.20 . 1 . . . . . 28 CYS CA . 28041 1 129 . 1 . 1 28 28 CYS CB C 13 32.19 0.20 . 1 . . . . . 28 CYS CB . 28041 1 130 . 1 . 1 28 28 CYS N N 15 123.31 0.20 . 1 . . . . . 28 CYS N . 28041 1 131 . 1 . 1 29 29 PHE H H 1 9.90 0.03 . 1 . . . . . 29 PHE H . 28041 1 132 . 1 . 1 29 29 PHE C C 13 172.32 0.20 . 1 . . . . . 29 PHE C . 28041 1 133 . 1 . 1 29 29 PHE CA C 13 55.46 0.20 . 1 . . . . . 29 PHE CA . 28041 1 134 . 1 . 1 29 29 PHE CB C 13 41.07 0.20 . 1 . . . . . 29 PHE CB . 28041 1 135 . 1 . 1 29 29 PHE N N 15 124.59 0.20 . 1 . . . . . 29 PHE N . 28041 1 136 . 1 . 1 30 30 TYR H H 1 9.40 0.03 . 1 . . . . . 30 TYR H . 28041 1 137 . 1 . 1 30 30 TYR C C 13 172.32 0.20 . 1 . . . . . 30 TYR C . 28041 1 138 . 1 . 1 30 30 TYR CA C 13 52.94 0.20 . 1 . . . . . 30 TYR CA . 28041 1 139 . 1 . 1 30 30 TYR CB C 13 39.40 0.20 . 1 . . . . . 30 TYR CB . 28041 1 140 . 1 . 1 30 30 TYR N N 15 131.58 0.20 . 1 . . . . . 30 TYR N . 28041 1 141 . 1 . 1 31 31 PRO C C 13 176.44 0.20 . 1 . . . . . 31 PRO C . 28041 1 142 . 1 . 1 31 31 PRO CA C 13 61.34 0.20 . 1 . . . . . 31 PRO CA . 28041 1 143 . 1 . 1 31 31 PRO CB C 13 30.86 0.20 . 1 . . . . . 31 PRO CB . 28041 1 144 . 1 . 1 32 32 GLU H H 1 9.12 0.03 . 1 . . . . . 32 GLU H . 28041 1 145 . 1 . 1 32 32 GLU C C 13 174.34 0.20 . 1 . . . . . 32 GLU C . 28041 1 146 . 1 . 1 32 32 GLU CA C 13 54.81 0.20 . 1 . . . . . 32 GLU CA . 28041 1 147 . 1 . 1 32 32 GLU CB C 13 32.83 0.20 . 1 . . . . . 32 GLU CB . 28041 1 148 . 1 . 1 32 32 GLU N N 15 121.13 0.20 . 1 . . . . . 32 GLU N . 28041 1 149 . 1 . 1 33 33 VAL H H 1 9.41 0.03 . 1 . . . . . 33 VAL H . 28041 1 150 . 1 . 1 33 33 VAL C C 13 173.27 0.20 . 1 . . . . . 33 VAL C . 28041 1 151 . 1 . 1 33 33 VAL CA C 13 58.49 0.20 . 1 . . . . . 33 VAL CA . 28041 1 152 . 1 . 1 33 33 VAL CB C 13 34.89 0.20 . 1 . . . . . 33 VAL CB . 28041 1 153 . 1 . 1 33 33 VAL N N 15 119.68 0.20 . 1 . . . . . 33 VAL N . 28041 1 154 . 1 . 1 34 34 CYS H H 1 8.47 0.03 . 1 . . . . . 34 CYS H . 28041 1 155 . 1 . 1 34 34 CYS C C 13 173.83 0.20 . 1 . . . . . 34 CYS C . 28041 1 156 . 1 . 1 34 34 CYS CA C 13 54.86 0.20 . 1 . . . . . 34 CYS CA . 28041 1 157 . 1 . 1 34 34 CYS CB C 13 46.65 0.20 . 1 . . . . . 34 CYS CB . 28041 1 158 . 1 . 1 34 34 CYS N N 15 124.00 0.20 . 1 . . . . . 34 CYS N . 28041 1 159 . 1 . 1 35 35 VAL H H 1 8.95 0.03 . 1 . . . . . 35 VAL H . 28041 1 160 . 1 . 1 35 35 VAL C C 13 173.35 0.20 . 1 . . . . . 35 VAL C . 28041 1 161 . 1 . 1 35 35 VAL CA C 13 59.18 0.20 . 1 . . . . . 35 VAL CA . 28041 1 162 . 1 . 1 35 35 VAL CB C 13 34.97 0.20 . 1 . . . . . 35 VAL CB . 28041 1 163 . 1 . 1 35 35 VAL N N 15 122.96 0.20 . 1 . . . . . 35 VAL N . 28041 1 164 . 1 . 1 36 36 GLU H H 1 8.59 0.03 . 1 . . . . . 36 GLU H . 28041 1 165 . 1 . 1 36 36 GLU C C 13 176.03 0.20 . 1 . . . . . 36 GLU C . 28041 1 166 . 1 . 1 36 36 GLU CA C 13 55.69 0.20 . 1 . . . . . 36 GLU CA . 28041 1 167 . 1 . 1 36 36 GLU CB C 13 30.31 0.20 . 1 . . . . . 36 GLU CB . 28041 1 168 . 1 . 1 36 36 GLU N N 15 125.43 0.20 . 1 . . . . . 36 GLU N . 28041 1 169 . 1 . 1 37 37 LYS H H 1 8.97 0.03 . 1 . . . . . 37 LYS H . 28041 1 170 . 1 . 1 37 37 LYS C C 13 174.46 0.20 . 1 . . . . . 37 LYS C . 28041 1 171 . 1 . 1 37 37 LYS CA C 13 54.25 0.20 . 1 . . . . . 37 LYS CA . 28041 1 172 . 1 . 1 37 37 LYS CB C 13 35.67 0.20 . 1 . . . . . 37 LYS CB . 28041 1 173 . 1 . 1 37 37 LYS N N 15 125.03 0.20 . 1 . . . . . 37 LYS N . 28041 1 174 . 1 . 1 38 38 ILE H H 1 8.48 0.03 . 1 . . . . . 38 ILE H . 28041 1 175 . 1 . 1 38 38 ILE C C 13 175.65 0.20 . 1 . . . . . 38 ILE C . 28041 1 176 . 1 . 1 38 38 ILE CA C 13 60.35 0.20 . 1 . . . . . 38 ILE CA . 28041 1 177 . 1 . 1 38 38 ILE CB C 13 35.96 0.20 . 1 . . . . . 38 ILE CB . 28041 1 178 . 1 . 1 38 38 ILE N N 15 120.55 0.20 . 1 . . . . . 38 ILE N . 28041 1 179 . 1 . 1 39 39 LEU H H 1 8.55 0.03 . 1 . . . . . 39 LEU H . 28041 1 180 . 1 . 1 39 39 LEU C C 13 176.16 0.20 . 1 . . . . . 39 LEU C . 28041 1 181 . 1 . 1 39 39 LEU CA C 13 53.46 0.20 . 1 . . . . . 39 LEU CA . 28041 1 182 . 1 . 1 39 39 LEU CB C 13 43.39 0.20 . 1 . . . . . 39 LEU CB . 28041 1 183 . 1 . 1 39 39 LEU N N 15 129.58 0.20 . 1 . . . . . 39 LEU N . 28041 1 184 . 1 . 1 40 40 ARG H H 1 9.57 0.03 . 1 . . . . . 40 ARG H . 28041 1 185 . 1 . 1 40 40 ARG C C 13 176.89 0.20 . 1 . . . . . 40 ARG C . 28041 1 186 . 1 . 1 40 40 ARG CA C 13 56.57 0.20 . 1 . . . . . 40 ARG CA . 28041 1 187 . 1 . 1 40 40 ARG CB C 13 27.00 0.20 . 1 . . . . . 40 ARG CB . 28041 1 188 . 1 . 1 40 40 ARG N N 15 125.18 0.20 . 1 . . . . . 40 ARG N . 28041 1 189 . 1 . 1 41 41 GLY H H 1 8.35 0.03 . 1 . . . . . 41 GLY H . 28041 1 190 . 1 . 1 41 41 GLY C C 13 173.65 0.20 . 1 . . . . . 41 GLY C . 28041 1 191 . 1 . 1 41 41 GLY CA C 13 45.03 0.20 . 1 . . . . . 41 GLY CA . 28041 1 192 . 1 . 1 41 41 GLY N N 15 102.87 0.20 . 1 . . . . . 41 GLY N . 28041 1 193 . 1 . 1 42 42 LYS H H 1 7.80 0.03 . 1 . . . . . 42 LYS H . 28041 1 194 . 1 . 1 42 42 LYS C C 13 175.13 0.20 . 1 . . . . . 42 LYS C . 28041 1 195 . 1 . 1 42 42 LYS CA C 13 54.11 0.20 . 1 . . . . . 42 LYS CA . 28041 1 196 . 1 . 1 42 42 LYS CB C 13 34.33 0.20 . 1 . . . . . 42 LYS CB . 28041 1 197 . 1 . 1 42 42 LYS N N 15 121.08 0.20 . 1 . . . . . 42 LYS N . 28041 1 198 . 1 . 1 43 43 ARG H H 1 8.79 0.03 . 1 . . . . . 43 ARG H . 28041 1 199 . 1 . 1 43 43 ARG C C 13 175.95 0.20 . 1 . . . . . 43 ARG C . 28041 1 200 . 1 . 1 43 43 ARG CA C 13 56.31 0.20 . 1 . . . . . 43 ARG CA . 28041 1 201 . 1 . 1 43 43 ARG CB C 13 29.67 0.20 . 1 . . . . . 43 ARG CB . 28041 1 202 . 1 . 1 43 43 ARG N N 15 126.31 0.20 . 1 . . . . . 43 ARG N . 28041 1 203 . 1 . 1 44 44 GLN H H 1 9.19 0.03 . 1 . . . . . 44 GLN H . 28041 1 204 . 1 . 1 44 44 GLN C C 13 173.41 0.20 . 1 . . . . . 44 GLN C . 28041 1 205 . 1 . 1 44 44 GLN CA C 13 54.24 0.20 . 1 . . . . . 44 GLN CA . 28041 1 206 . 1 . 1 44 44 GLN CB C 13 32.11 0.20 . 1 . . . . . 44 GLN CB . 28041 1 207 . 1 . 1 44 44 GLN N N 15 124.46 0.20 . 1 . . . . . 44 GLN N . 28041 1 208 . 1 . 1 45 45 MET H H 1 8.65 0.03 . 1 . . . . . 45 MET H . 28041 1 209 . 1 . 1 45 45 MET C C 13 176.13 0.20 . 1 . . . . . 45 MET C . 28041 1 210 . 1 . 1 45 45 MET CA C 13 54.17 0.20 . 1 . . . . . 45 MET CA . 28041 1 211 . 1 . 1 45 45 MET CB C 13 30.69 0.20 . 1 . . . . . 45 MET CB . 28041 1 212 . 1 . 1 45 45 MET N N 15 121.69 0.20 . 1 . . . . . 45 MET N . 28041 1 213 . 1 . 1 46 46 VAL H H 1 9.15 0.03 . 1 . . . . . 46 VAL H . 28041 1 214 . 1 . 1 46 46 VAL C C 13 173.80 0.20 . 1 . . . . . 46 VAL C . 28041 1 215 . 1 . 1 46 46 VAL CA C 13 60.49 0.20 . 1 . . . . . 46 VAL CA . 28041 1 216 . 1 . 1 46 46 VAL CB C 13 34.14 0.20 . 1 . . . . . 46 VAL CB . 28041 1 217 . 1 . 1 46 46 VAL N N 15 125.88 0.20 . 1 . . . . . 46 VAL N . 28041 1 218 . 1 . 1 47 47 GLN H H 1 8.47 0.03 . 1 . . . . . 47 GLN H . 28041 1 219 . 1 . 1 47 47 GLN C C 13 175.27 0.20 . 1 . . . . . 47 GLN C . 28041 1 220 . 1 . 1 47 47 GLN CA C 13 54.02 0.20 . 1 . . . . . 47 GLN CA . 28041 1 221 . 1 . 1 47 47 GLN CB C 13 29.48 0.20 . 1 . . . . . 47 GLN CB . 28041 1 222 . 1 . 1 47 47 GLN N N 15 124.69 0.20 . 1 . . . . . 47 GLN N . 28041 1 223 . 1 . 1 48 48 GLU H H 1 9.03 0.03 . 1 . . . . . 48 GLU H . 28041 1 224 . 1 . 1 48 48 GLU C C 13 172.41 0.20 . 1 . . . . . 48 GLU C . 28041 1 225 . 1 . 1 48 48 GLU CA C 13 52.82 0.20 . 1 . . . . . 48 GLU CA . 28041 1 226 . 1 . 1 48 48 GLU CB C 13 30.14 0.20 . 1 . . . . . 48 GLU CB . 28041 1 227 . 1 . 1 48 48 GLU N N 15 123.68 0.20 . 1 . . . . . 48 GLU N . 28041 1 228 . 1 . 1 49 49 PRO C C 13 176.89 0.20 . 1 . . . . . 49 PRO C . 28041 1 229 . 1 . 1 49 49 PRO CA C 13 62.56 0.20 . 1 . . . . . 49 PRO CA . 28041 1 230 . 1 . 1 49 49 PRO CB C 13 31.24 0.20 . 1 . . . . . 49 PRO CB . 28041 1 231 . 1 . 1 50 50 LEU H H 1 8.47 0.03 . 1 . . . . . 50 LEU H . 28041 1 232 . 1 . 1 50 50 LEU C C 13 175.92 0.20 . 1 . . . . . 50 LEU C . 28041 1 233 . 1 . 1 50 50 LEU CA C 13 56.94 0.20 . 1 . . . . . 50 LEU CA . 28041 1 234 . 1 . 1 50 50 LEU CB C 13 41.00 0.20 . 1 . . . . . 50 LEU CB . 28041 1 235 . 1 . 1 50 50 LEU N N 15 126.96 0.20 . 1 . . . . . 50 LEU N . 28041 1 236 . 1 . 1 51 51 PHE H H 1 8.51 0.03 . 1 . . . . . 51 PHE H . 28041 1 237 . 1 . 1 51 51 PHE C C 13 172.91 0.20 . 1 . . . . . 51 PHE C . 28041 1 238 . 1 . 1 51 51 PHE CA C 13 51.52 0.20 . 1 . . . . . 51 PHE CA . 28041 1 239 . 1 . 1 51 51 PHE CB C 13 38.46 0.20 . 1 . . . . . 51 PHE CB . 28041 1 240 . 1 . 1 51 51 PHE N N 15 114.93 0.20 . 1 . . . . . 51 PHE N . 28041 1 241 . 1 . 1 52 52 PRO C C 13 179.19 0.20 . 1 . . . . . 52 PRO C . 28041 1 242 . 1 . 1 52 52 PRO CA C 13 64.68 0.20 . 1 . . . . . 52 PRO CA . 28041 1 243 . 1 . 1 52 52 PRO CB C 13 30.82 0.20 . 1 . . . . . 52 PRO CB . 28041 1 244 . 1 . 1 53 53 SER H H 1 8.82 0.03 . 1 . . . . . 53 SER H . 28041 1 245 . 1 . 1 53 53 SER CA C 13 60.05 0.20 . 1 . . . . . 53 SER CA . 28041 1 246 . 1 . 1 53 53 SER CB C 13 63.39 0.20 . 1 . . . . . 53 SER CB . 28041 1 247 . 1 . 1 53 53 SER N N 15 112.03 0.20 . 1 . . . . . 53 SER N . 28041 1 248 . 1 . 1 54 54 TYR C C 13 173.82 0.20 . 1 . . . . . 54 TYR C . 28041 1 249 . 1 . 1 54 54 TYR CA C 13 57.03 0.20 . 1 . . . . . 54 TYR CA . 28041 1 250 . 1 . 1 54 54 TYR CB C 13 40.24 0.20 . 1 . . . . . 54 TYR CB . 28041 1 251 . 1 . 1 55 55 MET H H 1 8.88 0.03 . 1 . . . . . 55 MET H . 28041 1 252 . 1 . 1 55 55 MET C C 13 173.93 0.20 . 1 . . . . . 55 MET C . 28041 1 253 . 1 . 1 55 55 MET CA C 13 54.80 0.20 . 1 . . . . . 55 MET CA . 28041 1 254 . 1 . 1 55 55 MET CB C 13 37.75 0.20 . 1 . . . . . 55 MET CB . 28041 1 255 . 1 . 1 55 55 MET N N 15 117.25 0.20 . 1 . . . . . 55 MET N . 28041 1 256 . 1 . 1 56 56 PHE H H 1 8.77 0.03 . 1 . . . . . 56 PHE H . 28041 1 257 . 1 . 1 56 56 PHE C C 13 176.44 0.20 . 1 . . . . . 56 PHE C . 28041 1 258 . 1 . 1 56 56 PHE CA C 13 57.52 0.20 . 1 . . . . . 56 PHE CA . 28041 1 259 . 1 . 1 56 56 PHE CB C 13 40.00 0.20 . 1 . . . . . 56 PHE CB . 28041 1 260 . 1 . 1 56 56 PHE N N 15 126.64 0.20 . 1 . . . . . 56 PHE N . 28041 1 261 . 1 . 1 57 57 VAL H H 1 9.60 0.03 . 1 . . . . . 57 VAL H . 28041 1 262 . 1 . 1 57 57 VAL C C 13 174.12 0.20 . 1 . . . . . 57 VAL C . 28041 1 263 . 1 . 1 57 57 VAL CA C 13 58.28 0.20 . 1 . . . . . 57 VAL CA . 28041 1 264 . 1 . 1 57 57 VAL CB C 13 35.60 0.20 . 1 . . . . . 57 VAL CB . 28041 1 265 . 1 . 1 57 57 VAL N N 15 115.27 0.20 . 1 . . . . . 57 VAL N . 28041 1 266 . 1 . 1 58 58 ARG H H 1 9.19 0.03 . 1 . . . . . 58 ARG H . 28041 1 267 . 1 . 1 58 58 ARG C C 13 176.40 0.20 . 1 . . . . . 58 ARG C . 28041 1 268 . 1 . 1 58 58 ARG CA C 13 52.91 0.20 . 1 . . . . . 58 ARG CA . 28041 1 269 . 1 . 1 58 58 ARG CB C 13 30.43 0.20 . 1 . . . . . 58 ARG CB . 28041 1 270 . 1 . 1 58 58 ARG N N 15 123.22 0.20 . 1 . . . . . 58 ARG N . 28041 1 271 . 1 . 1 59 59 PHE H H 1 8.63 0.03 . 1 . . . . . 59 PHE H . 28041 1 272 . 1 . 1 59 59 PHE C C 13 172.59 0.20 . 1 . . . . . 59 PHE C . 28041 1 273 . 1 . 1 59 59 PHE CA C 13 56.27 0.20 . 1 . . . . . 59 PHE CA . 28041 1 274 . 1 . 1 59 59 PHE CB C 13 42.25 0.20 . 1 . . . . . 59 PHE CB . 28041 1 275 . 1 . 1 59 59 PHE N N 15 120.36 0.20 . 1 . . . . . 59 PHE N . 28041 1 276 . 1 . 1 60 60 ASP H H 1 9.81 0.03 . 1 . . . . . 60 ASP H . 28041 1 277 . 1 . 1 60 60 ASP C C 13 175.80 0.20 . 1 . . . . . 60 ASP C . 28041 1 278 . 1 . 1 60 60 ASP CA C 13 51.74 0.20 . 1 . . . . . 60 ASP CA . 28041 1 279 . 1 . 1 60 60 ASP CB C 13 42.20 0.20 . 1 . . . . . 60 ASP CB . 28041 1 280 . 1 . 1 60 60 ASP N N 15 125.19 0.20 . 1 . . . . . 60 ASP N . 28041 1 281 . 1 . 1 61 61 PHE H H 1 8.20 0.03 . 1 . . . . . 61 PHE H . 28041 1 282 . 1 . 1 61 61 PHE C C 13 175.65 0.20 . 1 . . . . . 61 PHE C . 28041 1 283 . 1 . 1 61 61 PHE CA C 13 58.12 0.20 . 1 . . . . . 61 PHE CA . 28041 1 284 . 1 . 1 61 61 PHE CB C 13 37.37 0.20 . 1 . . . . . 61 PHE CB . 28041 1 285 . 1 . 1 61 61 PHE N N 15 122.95 0.20 . 1 . . . . . 61 PHE N . 28041 1 286 . 1 . 1 62 62 GLU H H 1 7.82 0.03 . 1 . . . . . 62 GLU H . 28041 1 287 . 1 . 1 62 62 GLU C C 13 176.49 0.20 . 1 . . . . . 62 GLU C . 28041 1 288 . 1 . 1 62 62 GLU CA C 13 56.43 0.20 . 1 . . . . . 62 GLU CA . 28041 1 289 . 1 . 1 62 62 GLU CB C 13 29.89 0.20 . 1 . . . . . 62 GLU CB . 28041 1 290 . 1 . 1 62 62 GLU N N 15 119.34 0.20 . 1 . . . . . 62 GLU N . 28041 1 291 . 1 . 1 63 63 ASN H H 1 7.18 0.03 . 1 . . . . . 63 ASN H . 28041 1 292 . 1 . 1 63 63 ASN C C 13 174.15 0.20 . 1 . . . . . 63 ASN C . 28041 1 293 . 1 . 1 63 63 ASN CA C 13 52.23 0.20 . 1 . . . . . 63 ASN CA . 28041 1 294 . 1 . 1 63 63 ASN CB C 13 39.07 0.20 . 1 . . . . . 63 ASN CB . 28041 1 295 . 1 . 1 63 63 ASN N N 15 117.23 0.20 . 1 . . . . . 63 ASN N . 28041 1 296 . 1 . 1 64 64 GLY H H 1 7.70 0.03 . 1 . . . . . 64 GLY H . 28041 1 297 . 1 . 1 64 64 GLY C C 13 170.55 0.20 . 1 . . . . . 64 GLY C . 28041 1 298 . 1 . 1 64 64 GLY CA C 13 44.22 0.20 . 1 . . . . . 64 GLY CA . 28041 1 299 . 1 . 1 64 64 GLY N N 15 112.61 0.20 . 1 . . . . . 64 GLY N . 28041 1 300 . 1 . 1 65 65 PRO C C 13 173.37 0.20 . 1 . . . . . 65 PRO C . 28041 1 301 . 1 . 1 65 65 PRO CA C 13 61.78 0.20 . 1 . . . . . 65 PRO CA . 28041 1 302 . 1 . 1 65 65 PRO CB C 13 30.85 0.20 . 1 . . . . . 65 PRO CB . 28041 1 303 . 1 . 1 66 66 SER H H 1 7.87 0.03 . 1 . . . . . 66 SER H . 28041 1 304 . 1 . 1 66 66 SER C C 13 176.03 0.20 . 1 . . . . . 66 SER C . 28041 1 305 . 1 . 1 66 66 SER CA C 13 55.96 0.20 . 1 . . . . . 66 SER CA . 28041 1 306 . 1 . 1 66 66 SER CB C 13 65.45 0.20 . 1 . . . . . 66 SER CB . 28041 1 307 . 1 . 1 66 66 SER N N 15 110.84 0.20 . 1 . . . . . 66 SER N . 28041 1 308 . 1 . 1 67 67 PHE H H 1 8.43 0.03 . 1 . . . . . 67 PHE H . 28041 1 309 . 1 . 1 67 67 PHE C C 13 179.35 0.20 . 1 . . . . . 67 PHE C . 28041 1 310 . 1 . 1 67 67 PHE CA C 13 61.28 0.20 . 1 . . . . . 67 PHE CA . 28041 1 311 . 1 . 1 67 67 PHE CB C 13 37.49 0.20 . 1 . . . . . 67 PHE CB . 28041 1 312 . 1 . 1 67 67 PHE N N 15 116.98 0.20 . 1 . . . . . 67 PHE N . 28041 1 313 . 1 . 1 68 68 THR H H 1 8.34 0.03 . 1 . . . . . 68 THR H . 28041 1 314 . 1 . 1 68 68 THR C C 13 176.74 0.20 . 1 . . . . . 68 THR C . 28041 1 315 . 1 . 1 68 68 THR CA C 13 66.11 0.20 . 1 . . . . . 68 THR CA . 28041 1 316 . 1 . 1 68 68 THR CB C 13 68.06 0.20 . 1 . . . . . 68 THR CB . 28041 1 317 . 1 . 1 68 68 THR N N 15 113.48 0.20 . 1 . . . . . 68 THR N . 28041 1 318 . 1 . 1 69 69 THR H H 1 8.23 0.03 . 1 . . . . . 69 THR H . 28041 1 319 . 1 . 1 69 69 THR C C 13 177.03 0.20 . 1 . . . . . 69 THR C . 28041 1 320 . 1 . 1 69 69 THR CA C 13 66.20 0.20 . 1 . . . . . 69 THR CA . 28041 1 321 . 1 . 1 69 69 THR CB C 13 67.47 0.20 . 1 . . . . . 69 THR CB . 28041 1 322 . 1 . 1 69 69 THR N N 15 123.03 0.20 . 1 . . . . . 69 THR N . 28041 1 323 . 1 . 1 70 70 VAL H H 1 8.13 0.03 . 1 . . . . . 70 VAL H . 28041 1 324 . 1 . 1 70 70 VAL C C 13 178.31 0.20 . 1 . . . . . 70 VAL C . 28041 1 325 . 1 . 1 70 70 VAL CA C 13 67.39 0.20 . 1 . . . . . 70 VAL CA . 28041 1 326 . 1 . 1 70 70 VAL CB C 13 30.62 0.20 . 1 . . . . . 70 VAL CB . 28041 1 327 . 1 . 1 70 70 VAL N N 15 121.75 0.20 . 1 . . . . . 70 VAL N . 28041 1 328 . 1 . 1 71 71 ARG H H 1 8.52 0.03 . 1 . . . . . 71 ARG H . 28041 1 329 . 1 . 1 71 71 ARG C C 13 175.36 0.20 . 1 . . . . . 71 ARG C . 28041 1 330 . 1 . 1 71 71 ARG CA C 13 58.15 0.20 . 1 . . . . . 71 ARG CA . 28041 1 331 . 1 . 1 71 71 ARG CB C 13 28.83 0.20 . 1 . . . . . 71 ARG CB . 28041 1 332 . 1 . 1 71 71 ARG N N 15 117.11 0.20 . 1 . . . . . 71 ARG N . 28041 1 333 . 1 . 1 72 72 SER H H 1 7.45 0.03 . 1 . . . . . 72 SER H . 28041 1 334 . 1 . 1 72 72 SER C C 13 173.81 0.20 . 1 . . . . . 72 SER C . 28041 1 335 . 1 . 1 72 72 SER CA C 13 58.53 0.20 . 1 . . . . . 72 SER CA . 28041 1 336 . 1 . 1 72 72 SER CB C 13 63.24 0.20 . 1 . . . . . 72 SER CB . 28041 1 337 . 1 . 1 72 72 SER N N 15 110.68 0.20 . 1 . . . . . 72 SER N . 28041 1 338 . 1 . 1 73 73 THR H H 1 7.28 0.03 . 1 . . . . . 73 THR H . 28041 1 339 . 1 . 1 73 73 THR C C 13 173.55 0.20 . 1 . . . . . 73 THR C . 28041 1 340 . 1 . 1 73 73 THR CA C 13 63.90 0.20 . 1 . . . . . 73 THR CA . 28041 1 341 . 1 . 1 73 73 THR CB C 13 68.84 0.20 . 1 . . . . . 73 THR CB . 28041 1 342 . 1 . 1 73 73 THR N N 15 121.05 0.20 . 1 . . . . . 73 THR N . 28041 1 343 . 1 . 1 74 74 ARG H H 1 8.52 0.03 . 1 . . . . . 74 ARG H . 28041 1 344 . 1 . 1 74 74 ARG C C 13 175.29 0.20 . 1 . . . . . 74 ARG C . 28041 1 345 . 1 . 1 74 74 ARG CA C 13 57.66 0.20 . 1 . . . . . 74 ARG CA . 28041 1 346 . 1 . 1 74 74 ARG CB C 13 28.64 0.20 . 1 . . . . . 74 ARG CB . 28041 1 347 . 1 . 1 74 74 ARG N N 15 129.07 0.20 . 1 . . . . . 74 ARG N . 28041 1 348 . 1 . 1 75 75 GLY H H 1 8.44 0.03 . 1 . . . . . 75 GLY H . 28041 1 349 . 1 . 1 75 75 GLY C C 13 173.65 0.20 . 1 . . . . . 75 GLY C . 28041 1 350 . 1 . 1 75 75 GLY CA C 13 44.69 0.20 . 1 . . . . . 75 GLY CA . 28041 1 351 . 1 . 1 75 75 GLY N N 15 110.36 0.20 . 1 . . . . . 75 GLY N . 28041 1 352 . 1 . 1 76 76 VAL H H 1 7.80 0.03 . 1 . . . . . 76 VAL H . 28041 1 353 . 1 . 1 76 76 VAL C C 13 175.79 0.20 . 1 . . . . . 76 VAL C . 28041 1 354 . 1 . 1 76 76 VAL CA C 13 62.89 0.20 . 1 . . . . . 76 VAL CA . 28041 1 355 . 1 . 1 76 76 VAL CB C 13 31.88 0.20 . 1 . . . . . 76 VAL CB . 28041 1 356 . 1 . 1 76 76 VAL N N 15 121.08 0.20 . 1 . . . . . 76 VAL N . 28041 1 357 . 1 . 1 77 77 VAL H H 1 8.97 0.03 . 1 . . . . . 77 VAL H . 28041 1 358 . 1 . 1 77 77 VAL C C 13 175.46 0.20 . 1 . . . . . 77 VAL C . 28041 1 359 . 1 . 1 77 77 VAL CA C 13 64.35 0.20 . 1 . . . . . 77 VAL CA . 28041 1 360 . 1 . 1 77 77 VAL CB C 13 31.27 0.20 . 1 . . . . . 77 VAL CB . 28041 1 361 . 1 . 1 77 77 VAL N N 15 126.63 0.20 . 1 . . . . . 77 VAL N . 28041 1 362 . 1 . 1 78 78 ASP H H 1 7.34 0.03 . 1 . . . . . 78 ASP H . 28041 1 363 . 1 . 1 78 78 ASP C C 13 175.50 0.20 . 1 . . . . . 78 ASP C . 28041 1 364 . 1 . 1 78 78 ASP CA C 13 52.40 0.20 . 1 . . . . . 78 ASP CA . 28041 1 365 . 1 . 1 78 78 ASP CB C 13 42.09 0.20 . 1 . . . . . 78 ASP CB . 28041 1 366 . 1 . 1 78 78 ASP N N 15 110.66 0.20 . 1 . . . . . 78 ASP N . 28041 1 367 . 1 . 1 79 79 PHE H H 1 9.38 0.03 . 1 . . . . . 79 PHE H . 28041 1 368 . 1 . 1 79 79 PHE C C 13 176.91 0.20 . 1 . . . . . 79 PHE C . 28041 1 369 . 1 . 1 79 79 PHE CA C 13 58.42 0.20 . 1 . . . . . 79 PHE CA . 28041 1 370 . 1 . 1 79 79 PHE CB C 13 40.84 0.20 . 1 . . . . . 79 PHE CB . 28041 1 371 . 1 . 1 79 79 PHE N N 15 117.51 0.20 . 1 . . . . . 79 PHE N . 28041 1 372 . 1 . 1 80 80 VAL H H 1 8.92 0.03 . 1 . . . . . 80 VAL H . 28041 1 373 . 1 . 1 80 80 VAL C C 13 176.83 0.20 . 1 . . . . . 80 VAL C . 28041 1 374 . 1 . 1 80 80 VAL CA C 13 64.01 0.20 . 1 . . . . . 80 VAL CA . 28041 1 375 . 1 . 1 80 80 VAL CB C 13 31.12 0.20 . 1 . . . . . 80 VAL CB . 28041 1 376 . 1 . 1 80 80 VAL N N 15 120.82 0.20 . 1 . . . . . 80 VAL N . 28041 1 377 . 1 . 1 81 81 ARG H H 1 9.03 0.03 . 1 . . . . . 81 ARG H . 28041 1 378 . 1 . 1 81 81 ARG C C 13 175.16 0.20 . 1 . . . . . 81 ARG C . 28041 1 379 . 1 . 1 81 81 ARG CA C 13 55.97 0.20 . 1 . . . . . 81 ARG CA . 28041 1 380 . 1 . 1 81 81 ARG CB C 13 32.77 0.20 . 1 . . . . . 81 ARG CB . 28041 1 381 . 1 . 1 81 81 ARG N N 15 130.18 0.20 . 1 . . . . . 81 ARG N . 28041 1 382 . 1 . 1 82 82 LEU H H 1 8.47 0.03 . 1 . . . . . 82 LEU H . 28041 1 383 . 1 . 1 82 82 LEU C C 13 176.55 0.20 . 1 . . . . . 82 LEU C . 28041 1 384 . 1 . 1 82 82 LEU CA C 13 54.04 0.20 . 1 . . . . . 82 LEU CA . 28041 1 385 . 1 . 1 82 82 LEU CB C 13 42.11 0.20 . 1 . . . . . 82 LEU CB . 28041 1 386 . 1 . 1 82 82 LEU N N 15 123.47 0.20 . 1 . . . . . 82 LEU N . 28041 1 387 . 1 . 1 83 83 GLY H H 1 9.00 0.03 . 1 . . . . . 83 GLY H . 28041 1 388 . 1 . 1 83 83 GLY C C 13 173.30 0.20 . 1 . . . . . 83 GLY C . 28041 1 389 . 1 . 1 83 83 GLY CA C 13 44.17 0.20 . 1 . . . . . 83 GLY CA . 28041 1 390 . 1 . 1 83 83 GLY N N 15 118.31 0.20 . 1 . . . . . 83 GLY N . 28041 1 391 . 1 . 1 84 84 PRO C C 13 177.67 0.20 . 1 . . . . . 84 PRO C . 28041 1 392 . 1 . 1 84 84 PRO CA C 13 63.13 0.20 . 1 . . . . . 84 PRO CA . 28041 1 393 . 1 . 1 84 84 PRO CB C 13 31.76 0.20 . 1 . . . . . 84 PRO CB . 28041 1 394 . 1 . 1 85 85 HIS H H 1 7.23 0.03 . 1 . . . . . 85 HIS H . 28041 1 395 . 1 . 1 85 85 HIS C C 13 172.50 0.20 . 1 . . . . . 85 HIS C . 28041 1 396 . 1 . 1 85 85 HIS CA C 13 53.43 0.20 . 1 . . . . . 85 HIS CA . 28041 1 397 . 1 . 1 85 85 HIS CB C 13 30.89 0.20 . 1 . . . . . 85 HIS CB . 28041 1 398 . 1 . 1 85 85 HIS N N 15 117.40 0.20 . 1 . . . . . 85 HIS N . 28041 1 399 . 1 . 1 86 86 PRO C C 13 175.68 0.20 . 1 . . . . . 86 PRO C . 28041 1 400 . 1 . 1 86 86 PRO CA C 13 63.38 0.20 . 1 . . . . . 86 PRO CA . 28041 1 401 . 1 . 1 86 86 PRO CB C 13 31.81 0.20 . 1 . . . . . 86 PRO CB . 28041 1 402 . 1 . 1 87 87 ARG H H 1 8.74 0.03 . 1 . . . . . 87 ARG H . 28041 1 403 . 1 . 1 87 87 ARG C C 13 174.76 0.20 . 1 . . . . . 87 ARG C . 28041 1 404 . 1 . 1 87 87 ARG CA C 13 55.39 0.20 . 1 . . . . . 87 ARG CA . 28041 1 405 . 1 . 1 87 87 ARG CB C 13 30.61 0.20 . 1 . . . . . 87 ARG CB . 28041 1 406 . 1 . 1 87 87 ARG N N 15 125.71 0.20 . 1 . . . . . 87 ARG N . 28041 1 407 . 1 . 1 88 88 GLU H H 1 8.94 0.03 . 1 . . . . . 88 GLU H . 28041 1 408 . 1 . 1 88 88 GLU C C 13 176.69 0.20 . 1 . . . . . 88 GLU C . 28041 1 409 . 1 . 1 88 88 GLU CA C 13 55.19 0.20 . 1 . . . . . 88 GLU CA . 28041 1 410 . 1 . 1 88 88 GLU CB C 13 29.38 0.20 . 1 . . . . . 88 GLU CB . 28041 1 411 . 1 . 1 88 88 GLU N N 15 129.26 0.20 . 1 . . . . . 88 GLU N . 28041 1 412 . 1 . 1 89 89 LEU H H 1 8.85 0.03 . 1 . . . . . 89 LEU H . 28041 1 413 . 1 . 1 89 89 LEU C C 13 176.08 0.20 . 1 . . . . . 89 LEU C . 28041 1 414 . 1 . 1 89 89 LEU CA C 13 52.58 0.20 . 1 . . . . . 89 LEU CA . 28041 1 415 . 1 . 1 89 89 LEU CB C 13 42.37 0.20 . 1 . . . . . 89 LEU CB . 28041 1 416 . 1 . 1 89 89 LEU N N 15 127.25 0.20 . 1 . . . . . 89 LEU N . 28041 1 417 . 1 . 1 90 90 GLN H H 1 8.83 0.03 . 1 . . . . . 90 GLN H . 28041 1 418 . 1 . 1 90 90 GLN C C 13 177.95 0.20 . 1 . . . . . 90 GLN C . 28041 1 419 . 1 . 1 90 90 GLN CA C 13 55.50 0.20 . 1 . . . . . 90 GLN CA . 28041 1 420 . 1 . 1 90 90 GLN CB C 13 28.52 0.20 . 1 . . . . . 90 GLN CB . 28041 1 421 . 1 . 1 90 90 GLN N N 15 120.53 0.20 . 1 . . . . . 90 GLN N . 28041 1 422 . 1 . 1 91 91 GLY H H 1 9.15 0.03 . 1 . . . . . 91 GLY H . 28041 1 423 . 1 . 1 91 91 GLY C C 13 176.52 0.20 . 1 . . . . . 91 GLY C . 28041 1 424 . 1 . 1 91 91 GLY CA C 13 47.03 0.20 . 1 . . . . . 91 GLY CA . 28041 1 425 . 1 . 1 91 91 GLY N N 15 111.01 0.20 . 1 . . . . . 91 GLY N . 28041 1 426 . 1 . 1 92 92 ASP H H 1 8.81 0.03 . 1 . . . . . 92 ASP H . 28041 1 427 . 1 . 1 92 92 ASP C C 13 178.04 0.20 . 1 . . . . . 92 ASP C . 28041 1 428 . 1 . 1 92 92 ASP CA C 13 56.47 0.20 . 1 . . . . . 92 ASP CA . 28041 1 429 . 1 . 1 92 92 ASP CB C 13 40.07 0.20 . 1 . . . . . 92 ASP CB . 28041 1 430 . 1 . 1 92 92 ASP N N 15 119.33 0.20 . 1 . . . . . 92 ASP N . 28041 1 431 . 1 . 1 93 93 LEU H H 1 7.18 0.03 . 1 . . . . . 93 LEU H . 28041 1 432 . 1 . 1 93 93 LEU C C 13 177.18 0.20 . 1 . . . . . 93 LEU C . 28041 1 433 . 1 . 1 93 93 LEU CA C 13 57.47 0.20 . 1 . . . . . 93 LEU CA . 28041 1 434 . 1 . 1 93 93 LEU CB C 13 39.67 0.20 . 1 . . . . . 93 LEU CB . 28041 1 435 . 1 . 1 93 93 LEU N N 15 120.36 0.20 . 1 . . . . . 93 LEU N . 28041 1 436 . 1 . 1 94 94 ILE H H 1 6.45 0.03 . 1 . . . . . 94 ILE H . 28041 1 437 . 1 . 1 94 94 ILE C C 13 177.35 0.20 . 1 . . . . . 94 ILE C . 28041 1 438 . 1 . 1 94 94 ILE CA C 13 62.96 0.20 . 1 . . . . . 94 ILE CA . 28041 1 439 . 1 . 1 94 94 ILE CB C 13 34.44 0.20 . 1 . . . . . 94 ILE CB . 28041 1 440 . 1 . 1 94 94 ILE N N 15 117.56 0.20 . 1 . . . . . 94 ILE N . 28041 1 441 . 1 . 1 95 95 TYR H H 1 7.89 0.03 . 1 . . . . . 95 TYR H . 28041 1 442 . 1 . 1 95 95 TYR C C 13 178.05 0.20 . 1 . . . . . 95 TYR C . 28041 1 443 . 1 . 1 95 95 TYR CA C 13 61.31 0.20 . 1 . . . . . 95 TYR CA . 28041 1 444 . 1 . 1 95 95 TYR CB C 13 37.28 0.20 . 1 . . . . . 95 TYR CB . 28041 1 445 . 1 . 1 95 95 TYR N N 15 117.83 0.20 . 1 . . . . . 95 TYR N . 28041 1 446 . 1 . 1 96 96 GLN H H 1 7.73 0.03 . 1 . . . . . 96 GLN H . 28041 1 447 . 1 . 1 96 96 GLN C C 13 179.27 0.20 . 1 . . . . . 96 GLN C . 28041 1 448 . 1 . 1 96 96 GLN CA C 13 58.54 0.20 . 1 . . . . . 96 GLN CA . 28041 1 449 . 1 . 1 96 96 GLN CB C 13 27.73 0.20 . 1 . . . . . 96 GLN CB . 28041 1 450 . 1 . 1 96 96 GLN N N 15 117.13 0.20 . 1 . . . . . 96 GLN N . 28041 1 451 . 1 . 1 97 97 LEU H H 1 7.91 0.03 . 1 . . . . . 97 LEU H . 28041 1 452 . 1 . 1 97 97 LEU C C 13 180.11 0.20 . 1 . . . . . 97 LEU C . 28041 1 453 . 1 . 1 97 97 LEU CA C 13 57.19 0.20 . 1 . . . . . 97 LEU CA . 28041 1 454 . 1 . 1 97 97 LEU CB C 13 41.72 0.20 . 1 . . . . . 97 LEU CB . 28041 1 455 . 1 . 1 97 97 LEU N N 15 118.13 0.20 . 1 . . . . . 97 LEU N . 28041 1 456 . 1 . 1 98 98 LYS H H 1 8.40 0.03 . 1 . . . . . 98 LYS H . 28041 1 457 . 1 . 1 98 98 LYS C C 13 178.43 0.20 . 1 . . . . . 98 LYS C . 28041 1 458 . 1 . 1 98 98 LYS CA C 13 59.23 0.20 . 1 . . . . . 98 LYS CA . 28041 1 459 . 1 . 1 98 98 LYS CB C 13 31.65 0.20 . 1 . . . . . 98 LYS CB . 28041 1 460 . 1 . 1 98 98 LYS N N 15 119.81 0.20 . 1 . . . . . 98 LYS N . 28041 1 461 . 1 . 1 99 99 GLN H H 1 7.30 0.03 . 1 . . . . . 99 GLN H . 28041 1 462 . 1 . 1 99 99 GLN C C 13 176.45 0.20 . 1 . . . . . 99 GLN C . 28041 1 463 . 1 . 1 99 99 GLN CA C 13 56.43 0.20 . 1 . . . . . 99 GLN CA . 28041 1 464 . 1 . 1 99 99 GLN CB C 13 27.78 0.20 . 1 . . . . . 99 GLN CB . 28041 1 465 . 1 . 1 99 99 GLN N N 15 114.76 0.20 . 1 . . . . . 99 GLN N . 28041 1 466 . 1 . 1 100 100 LEU H H 1 6.91 0.03 . 1 . . . . . 100 LEU H . 28041 1 467 . 1 . 1 100 100 LEU C C 13 175.96 0.20 . 1 . . . . . 100 LEU C . 28041 1 468 . 1 . 1 100 100 LEU CA C 13 53.88 0.20 . 1 . . . . . 100 LEU CA . 28041 1 469 . 1 . 1 100 100 LEU CB C 13 41.21 0.20 . 1 . . . . . 100 LEU CB . 28041 1 470 . 1 . 1 100 100 LEU N N 15 116.38 0.20 . 1 . . . . . 100 LEU N . 28041 1 471 . 1 . 1 101 101 ASP H H 1 7.13 0.03 . 1 . . . . . 101 ASP H . 28041 1 472 . 1 . 1 101 101 ASP C C 13 176.74 0.20 . 1 . . . . . 101 ASP C . 28041 1 473 . 1 . 1 101 101 ASP CA C 13 54.03 0.20 . 1 . . . . . 101 ASP CA . 28041 1 474 . 1 . 1 101 101 ASP CB C 13 42.28 0.20 . 1 . . . . . 101 ASP CB . 28041 1 475 . 1 . 1 101 101 ASP N N 15 120.85 0.20 . 1 . . . . . 101 ASP N . 28041 1 476 . 1 . 1 102 102 CYS H H 1 8.83 0.03 . 1 . . . . . 102 CYS H . 28041 1 477 . 1 . 1 102 102 CYS C C 13 175.84 0.20 . 1 . . . . . 102 CYS C . 28041 1 478 . 1 . 1 102 102 CYS CA C 13 57.64 0.20 . 1 . . . . . 102 CYS CA . 28041 1 479 . 1 . 1 102 102 CYS CB C 13 42.77 0.20 . 1 . . . . . 102 CYS CB . 28041 1 480 . 1 . 1 102 102 CYS N N 15 124.34 0.20 . 1 . . . . . 102 CYS N . 28041 1 481 . 1 . 1 103 103 GLU H H 1 8.63 0.03 . 1 . . . . . 103 GLU H . 28041 1 482 . 1 . 1 103 103 GLU C C 13 178.23 0.20 . 1 . . . . . 103 GLU C . 28041 1 483 . 1 . 1 103 103 GLU CA C 13 58.08 0.20 . 1 . . . . . 103 GLU CA . 28041 1 484 . 1 . 1 103 103 GLU CB C 13 28.74 0.20 . 1 . . . . . 103 GLU CB . 28041 1 485 . 1 . 1 103 103 GLU N N 15 119.95 0.20 . 1 . . . . . 103 GLU N . 28041 1 486 . 1 . 1 104 104 GLN H H 1 8.04 0.03 . 1 . . . . . 104 GLN H . 28041 1 487 . 1 . 1 104 104 GLN C C 13 177.95 0.20 . 1 . . . . . 104 GLN C . 28041 1 488 . 1 . 1 104 104 GLN CA C 13 56.89 0.20 . 1 . . . . . 104 GLN CA . 28041 1 489 . 1 . 1 104 104 GLN CB C 13 28.26 0.20 . 1 . . . . . 104 GLN CB . 28041 1 490 . 1 . 1 104 104 GLN N N 15 118.51 0.20 . 1 . . . . . 104 GLN N . 28041 1 491 . 1 . 1 105 105 LEU H H 1 8.09 0.03 . 1 . . . . . 105 LEU H . 28041 1 492 . 1 . 1 105 105 LEU C C 13 178.83 0.20 . 1 . . . . . 105 LEU C . 28041 1 493 . 1 . 1 105 105 LEU CA C 13 56.44 0.20 . 1 . . . . . 105 LEU CA . 28041 1 494 . 1 . 1 105 105 LEU CB C 13 41.08 0.20 . 1 . . . . . 105 LEU CB . 28041 1 495 . 1 . 1 105 105 LEU N N 15 120.32 0.20 . 1 . . . . . 105 LEU N . 28041 1 496 . 1 . 1 106 106 LYS H H 1 7.89 0.03 . 1 . . . . . 106 LYS H . 28041 1 497 . 1 . 1 106 106 LYS C C 13 177.30 0.20 . 1 . . . . . 106 LYS C . 28041 1 498 . 1 . 1 106 106 LYS CA C 13 57.41 0.20 . 1 . . . . . 106 LYS CA . 28041 1 499 . 1 . 1 106 106 LYS CB C 13 31.81 0.20 . 1 . . . . . 106 LYS CB . 28041 1 500 . 1 . 1 106 106 LYS N N 15 118.54 0.20 . 1 . . . . . 106 LYS N . 28041 1 501 . 1 . 1 107 107 HIS H H 1 7.80 0.03 . 1 . . . . . 107 HIS H . 28041 1 502 . 1 . 1 107 107 HIS C C 13 175.10 0.20 . 1 . . . . . 107 HIS C . 28041 1 503 . 1 . 1 107 107 HIS CA C 13 55.63 0.20 . 1 . . . . . 107 HIS CA . 28041 1 504 . 1 . 1 107 107 HIS CB C 13 29.45 0.20 . 1 . . . . . 107 HIS CB . 28041 1 505 . 1 . 1 107 107 HIS N N 15 117.00 0.20 . 1 . . . . . 107 HIS N . 28041 1 506 . 1 . 1 108 108 ALA H H 1 8.05 0.03 . 1 . . . . . 108 ALA H . 28041 1 507 . 1 . 1 108 108 ALA C C 13 178.20 0.20 . 1 . . . . . 108 ALA C . 28041 1 508 . 1 . 1 108 108 ALA CA C 13 52.74 0.20 . 1 . . . . . 108 ALA CA . 28041 1 509 . 1 . 1 108 108 ALA CB C 13 18.64 0.20 . 1 . . . . . 108 ALA CB . 28041 1 510 . 1 . 1 108 108 ALA N N 15 123.74 0.20 . 1 . . . . . 108 ALA N . 28041 1 511 . 1 . 1 109 109 THR H H 1 8.19 0.03 . 1 . . . . . 109 THR H . 28041 1 512 . 1 . 1 109 109 THR C C 13 174.65 0.20 . 1 . . . . . 109 THR C . 28041 1 513 . 1 . 1 109 109 THR CA C 13 61.87 0.20 . 1 . . . . . 109 THR CA . 28041 1 514 . 1 . 1 109 109 THR CB C 13 69.42 0.20 . 1 . . . . . 109 THR CB . 28041 1 515 . 1 . 1 109 109 THR N N 15 112.96 0.20 . 1 . . . . . 109 THR N . 28041 1 516 . 1 . 1 110 110 LYS H H 1 8.23 0.03 . 1 . . . . . 110 LYS H . 28041 1 517 . 1 . 1 110 110 LYS C C 13 176.29 0.20 . 1 . . . . . 110 LYS C . 28041 1 518 . 1 . 1 110 110 LYS CA C 13 56.01 0.20 . 1 . . . . . 110 LYS CA . 28041 1 519 . 1 . 1 110 110 LYS CB C 13 32.08 0.20 . 1 . . . . . 110 LYS CB . 28041 1 520 . 1 . 1 110 110 LYS N N 15 123.06 0.20 . 1 . . . . . 110 LYS N . 28041 1 521 . 1 . 1 111 111 GLN H H 1 8.30 0.03 . 1 . . . . . 111 GLN H . 28041 1 522 . 1 . 1 111 111 GLN C C 13 175.60 0.20 . 1 . . . . . 111 GLN C . 28041 1 523 . 1 . 1 111 111 GLN CA C 13 55.04 0.20 . 1 . . . . . 111 GLN CA . 28041 1 524 . 1 . 1 111 111 GLN CB C 13 28.90 0.20 . 1 . . . . . 111 GLN CB . 28041 1 525 . 1 . 1 111 111 GLN N N 15 120.99 0.20 . 1 . . . . . 111 GLN N . 28041 1 526 . 1 . 1 112 112 LEU H H 1 8.36 0.03 . 1 . . . . . 112 LEU H . 28041 1 527 . 1 . 1 112 112 LEU C C 13 175.40 0.20 . 1 . . . . . 112 LEU C . 28041 1 528 . 1 . 1 112 112 LEU CA C 13 52.82 0.20 . 1 . . . . . 112 LEU CA . 28041 1 529 . 1 . 1 112 112 LEU CB C 13 40.67 0.20 . 1 . . . . . 112 LEU CB . 28041 1 530 . 1 . 1 112 112 LEU N N 15 124.83 0.20 . 1 . . . . . 112 LEU N . 28041 1 531 . 1 . 1 113 113 PRO C C 13 177.05 0.20 . 1 . . . . . 113 PRO C . 28041 1 532 . 1 . 1 113 113 PRO CA C 13 62.83 0.20 . 1 . . . . . 113 PRO CA . 28041 1 533 . 1 . 1 113 113 PRO CB C 13 31.29 0.20 . 1 . . . . . 113 PRO CB . 28041 1 534 . 1 . 1 114 114 GLU H H 1 8.49 0.03 . 1 . . . . . 114 GLU H . 28041 1 535 . 1 . 1 114 114 GLU C C 13 176.77 0.20 . 1 . . . . . 114 GLU C . 28041 1 536 . 1 . 1 114 114 GLU CA C 13 56.15 0.20 . 1 . . . . . 114 GLU CA . 28041 1 537 . 1 . 1 114 114 GLU CB C 13 29.61 0.20 . 1 . . . . . 114 GLU CB . 28041 1 538 . 1 . 1 114 114 GLU N N 15 120.75 0.20 . 1 . . . . . 114 GLU N . 28041 1 539 . 1 . 1 115 115 LYS H H 1 8.42 0.03 . 1 . . . . . 115 LYS H . 28041 1 540 . 1 . 1 115 115 LYS C C 13 177.31 0.20 . 1 . . . . . 115 LYS C . 28041 1 541 . 1 . 1 115 115 LYS CA C 13 56.35 0.20 . 1 . . . . . 115 LYS CA . 28041 1 542 . 1 . 1 115 115 LYS CB C 13 31.94 0.20 . 1 . . . . . 115 LYS CB . 28041 1 543 . 1 . 1 115 115 LYS N N 15 121.91 0.20 . 1 . . . . . 115 LYS N . 28041 1 544 . 1 . 1 116 116 GLY H H 1 8.51 0.03 . 1 . . . . . 116 GLY H . 28041 1 545 . 1 . 1 116 116 GLY C C 13 174.18 0.20 . 1 . . . . . 116 GLY C . 28041 1 546 . 1 . 1 116 116 GLY CA C 13 44.95 0.20 . 1 . . . . . 116 GLY CA . 28041 1 547 . 1 . 1 116 116 GLY N N 15 109.94 0.20 . 1 . . . . . 116 GLY N . 28041 1 548 . 1 . 1 117 117 GLN H H 1 8.20 0.03 . 1 . . . . . 117 GLN H . 28041 1 549 . 1 . 1 117 117 GLN C C 13 176.21 0.20 . 1 . . . . . 117 GLN C . 28041 1 550 . 1 . 1 117 117 GLN CA C 13 55.39 0.20 . 1 . . . . . 117 GLN CA . 28041 1 551 . 1 . 1 117 117 GLN CB C 13 28.90 0.20 . 1 . . . . . 117 GLN CB . 28041 1 552 . 1 . 1 117 117 GLN N N 15 119.60 0.20 . 1 . . . . . 117 GLN N . 28041 1 553 . 1 . 1 118 118 THR H H 1 8.29 0.03 . 1 . . . . . 118 THR H . 28041 1 554 . 1 . 1 118 118 THR C C 13 174.54 0.20 . 1 . . . . . 118 THR C . 28041 1 555 . 1 . 1 118 118 THR CA C 13 61.88 0.20 . 1 . . . . . 118 THR CA . 28041 1 556 . 1 . 1 118 118 THR CB C 13 69.41 0.20 . 1 . . . . . 118 THR CB . 28041 1 557 . 1 . 1 118 118 THR N N 15 116.14 0.20 . 1 . . . . . 118 THR N . 28041 1 558 . 1 . 1 119 119 VAL H H 1 8.21 0.03 . 1 . . . . . 119 VAL H . 28041 1 559 . 1 . 1 119 119 VAL C C 13 175.81 0.20 . 1 . . . . . 119 VAL C . 28041 1 560 . 1 . 1 119 119 VAL CA C 13 61.97 0.20 . 1 . . . . . 119 VAL CA . 28041 1 561 . 1 . 1 119 119 VAL CB C 13 31.99 0.20 . 1 . . . . . 119 VAL CB . 28041 1 562 . 1 . 1 119 119 VAL N N 15 123.06 0.20 . 1 . . . . . 119 VAL N . 28041 1 563 . 1 . 1 120 120 ARG H H 1 8.44 0.03 . 1 . . . . . 120 ARG H . 28041 1 564 . 1 . 1 120 120 ARG C C 13 176.07 0.20 . 1 . . . . . 120 ARG C . 28041 1 565 . 1 . 1 120 120 ARG CA C 13 55.54 0.20 . 1 . . . . . 120 ARG CA . 28041 1 566 . 1 . 1 120 120 ARG CB C 13 30.06 0.20 . 1 . . . . . 120 ARG CB . 28041 1 567 . 1 . 1 120 120 ARG N N 15 125.45 0.20 . 1 . . . . . 120 ARG N . 28041 1 568 . 1 . 1 121 121 VAL H H 1 8.20 0.03 . 1 . . . . . 121 VAL H . 28041 1 569 . 1 . 1 121 121 VAL C C 13 175.69 0.20 . 1 . . . . . 121 VAL C . 28041 1 570 . 1 . 1 121 121 VAL CA C 13 61.61 0.20 . 1 . . . . . 121 VAL CA . 28041 1 571 . 1 . 1 121 121 VAL CB C 13 32.30 0.20 . 1 . . . . . 121 VAL CB . 28041 1 572 . 1 . 1 121 121 VAL N N 15 121.98 0.20 . 1 . . . . . 121 VAL N . 28041 1 573 . 1 . 1 122 122 ALA H H 1 8.47 0.03 . 1 . . . . . 122 ALA H . 28041 1 574 . 1 . 1 122 122 ALA C C 13 177.45 0.20 . 1 . . . . . 122 ALA C . 28041 1 575 . 1 . 1 122 122 ALA CA C 13 51.94 0.20 . 1 . . . . . 122 ALA CA . 28041 1 576 . 1 . 1 122 122 ALA CB C 13 18.56 0.20 . 1 . . . . . 122 ALA CB . 28041 1 577 . 1 . 1 122 122 ALA N N 15 127.95 0.20 . 1 . . . . . 122 ALA N . 28041 1 578 . 1 . 1 123 123 ARG H H 1 8.39 0.03 . 1 . . . . . 123 ARG H . 28041 1 579 . 1 . 1 123 123 ARG C C 13 177.05 0.20 . 1 . . . . . 123 ARG C . 28041 1 580 . 1 . 1 123 123 ARG CA C 13 55.74 0.20 . 1 . . . . . 123 ARG CA . 28041 1 581 . 1 . 1 123 123 ARG CB C 13 30.27 0.20 . 1 . . . . . 123 ARG CB . 28041 1 582 . 1 . 1 123 123 ARG N N 15 120.44 0.20 . 1 . . . . . 123 ARG N . 28041 1 583 . 1 . 1 124 124 GLY H H 1 8.54 0.03 . 1 . . . . . 124 GLY H . 28041 1 584 . 1 . 1 124 124 GLY C C 13 174.72 0.20 . 1 . . . . . 124 GLY C . 28041 1 585 . 1 . 1 124 124 GLY CA C 13 45.07 0.20 . 1 . . . . . 124 GLY CA . 28041 1 586 . 1 . 1 124 124 GLY N N 15 109.94 0.20 . 1 . . . . . 124 GLY N . 28041 1 587 . 1 . 1 125 125 GLN H H 1 8.41 0.03 . 1 . . . . . 125 GLN H . 28041 1 588 . 1 . 1 125 125 GLN C C 13 176.11 0.20 . 1 . . . . . 125 GLN C . 28041 1 589 . 1 . 1 125 125 GLN CA C 13 56.35 0.20 . 1 . . . . . 125 GLN CA . 28041 1 590 . 1 . 1 125 125 GLN CB C 13 28.62 0.20 . 1 . . . . . 125 GLN CB . 28041 1 591 . 1 . 1 125 125 GLN N N 15 120.87 0.20 . 1 . . . . . 125 GLN N . 28041 1 592 . 1 . 1 126 126 PHE H H 1 8.51 0.03 . 1 . . . . . 126 PHE H . 28041 1 593 . 1 . 1 126 126 PHE C C 13 175.93 0.20 . 1 . . . . . 126 PHE C . 28041 1 594 . 1 . 1 126 126 PHE CA C 13 56.87 0.20 . 1 . . . . . 126 PHE CA . 28041 1 595 . 1 . 1 126 126 PHE CB C 13 38.04 0.20 . 1 . . . . . 126 PHE CB . 28041 1 596 . 1 . 1 126 126 PHE N N 15 119.54 0.20 . 1 . . . . . 126 PHE N . 28041 1 597 . 1 . 1 127 127 ALA H H 1 8.13 0.03 . 1 . . . . . 127 ALA H . 28041 1 598 . 1 . 1 127 127 ALA C C 13 179.33 0.20 . 1 . . . . . 127 ALA C . 28041 1 599 . 1 . 1 127 127 ALA CA C 13 53.97 0.20 . 1 . . . . . 127 ALA CA . 28041 1 600 . 1 . 1 127 127 ALA CB C 13 17.99 0.20 . 1 . . . . . 127 ALA CB . 28041 1 601 . 1 . 1 127 127 ALA N N 15 124.84 0.20 . 1 . . . . . 127 ALA N . 28041 1 602 . 1 . 1 128 128 GLY H H 1 8.75 0.03 . 1 . . . . . 128 GLY H . 28041 1 603 . 1 . 1 128 128 GLY C C 13 176.11 0.20 . 1 . . . . . 128 GLY C . 28041 1 604 . 1 . 1 128 128 GLY CA C 13 45.72 0.20 . 1 . . . . . 128 GLY CA . 28041 1 605 . 1 . 1 128 128 GLY N N 15 107.23 0.20 . 1 . . . . . 128 GLY N . 28041 1 606 . 1 . 1 129 129 ILE H H 1 7.92 0.03 . 1 . . . . . 129 ILE H . 28041 1 607 . 1 . 1 129 129 ILE C C 13 176.82 0.20 . 1 . . . . . 129 ILE C . 28041 1 608 . 1 . 1 129 129 ILE CA C 13 63.36 0.20 . 1 . . . . . 129 ILE CA . 28041 1 609 . 1 . 1 129 129 ILE CB C 13 36.87 0.20 . 1 . . . . . 129 ILE CB . 28041 1 610 . 1 . 1 129 129 ILE N N 15 120.83 0.20 . 1 . . . . . 129 ILE N . 28041 1 611 . 1 . 1 130 130 GLU H H 1 8.33 0.03 . 1 . . . . . 130 GLU H . 28041 1 612 . 1 . 1 130 130 GLU C C 13 178.23 0.20 . 1 . . . . . 130 GLU C . 28041 1 613 . 1 . 1 130 130 GLU CA C 13 59.44 0.20 . 1 . . . . . 130 GLU CA . 28041 1 614 . 1 . 1 130 130 GLU CB C 13 28.17 0.20 . 1 . . . . . 130 GLU CB . 28041 1 615 . 1 . 1 130 130 GLU N N 15 120.08 0.20 . 1 . . . . . 130 GLU N . 28041 1 616 . 1 . 1 131 131 ALA H H 1 7.58 0.03 . 1 . . . . . 131 ALA H . 28041 1 617 . 1 . 1 131 131 ALA C C 13 180.79 0.20 . 1 . . . . . 131 ALA C . 28041 1 618 . 1 . 1 131 131 ALA CA C 13 54.14 0.20 . 1 . . . . . 131 ALA CA . 28041 1 619 . 1 . 1 131 131 ALA CB C 13 17.61 0.20 . 1 . . . . . 131 ALA CB . 28041 1 620 . 1 . 1 131 131 ALA N N 15 118.38 0.20 . 1 . . . . . 131 ALA N . 28041 1 621 . 1 . 1 132 132 ILE H H 1 7.55 0.03 . 1 . . . . . 132 ILE H . 28041 1 622 . 1 . 1 132 132 ILE C C 13 176.83 0.20 . 1 . . . . . 132 ILE C . 28041 1 623 . 1 . 1 132 132 ILE CA C 13 65.32 0.20 . 1 . . . . . 132 ILE CA . 28041 1 624 . 1 . 1 132 132 ILE CB C 13 37.12 0.20 . 1 . . . . . 132 ILE CB . 28041 1 625 . 1 . 1 132 132 ILE N N 15 118.66 0.20 . 1 . . . . . 132 ILE N . 28041 1 626 . 1 . 1 133 133 TYR H H 1 7.46 0.03 . 1 . . . . . 133 TYR H . 28041 1 627 . 1 . 1 133 133 TYR C C 13 176.45 0.20 . 1 . . . . . 133 TYR C . 28041 1 628 . 1 . 1 133 133 TYR CA C 13 60.47 0.20 . 1 . . . . . 133 TYR CA . 28041 1 629 . 1 . 1 133 133 TYR CB C 13 37.68 0.20 . 1 . . . . . 133 TYR CB . 28041 1 630 . 1 . 1 133 133 TYR N N 15 114.89 0.20 . 1 . . . . . 133 TYR N . 28041 1 631 . 1 . 1 134 134 LEU H H 1 7.18 0.03 . 1 . . . . . 134 LEU H . 28041 1 632 . 1 . 1 134 134 LEU C C 13 177.21 0.20 . 1 . . . . . 134 LEU C . 28041 1 633 . 1 . 1 134 134 LEU CA C 13 54.28 0.20 . 1 . . . . . 134 LEU CA . 28041 1 634 . 1 . 1 134 134 LEU CB C 13 41.94 0.20 . 1 . . . . . 134 LEU CB . 28041 1 635 . 1 . 1 134 134 LEU N N 15 115.56 0.20 . 1 . . . . . 134 LEU N . 28041 1 636 . 1 . 1 135 135 GLU H H 1 7.36 0.03 . 1 . . . . . 135 GLU H . 28041 1 637 . 1 . 1 135 135 GLU C C 13 175.07 0.20 . 1 . . . . . 135 GLU C . 28041 1 638 . 1 . 1 135 135 GLU CA C 13 52.05 0.20 . 1 . . . . . 135 GLU CA . 28041 1 639 . 1 . 1 135 135 GLU CB C 13 29.26 0.20 . 1 . . . . . 135 GLU CB . 28041 1 640 . 1 . 1 135 135 GLU N N 15 125.50 0.20 . 1 . . . . . 135 GLU N . 28041 1 641 . 1 . 1 136 136 PRO C C 13 176.71 0.20 . 1 . . . . . 136 PRO C . 28041 1 642 . 1 . 1 136 136 PRO CA C 13 64.16 0.20 . 1 . . . . . 136 PRO CA . 28041 1 643 . 1 . 1 136 136 PRO CB C 13 32.00 0.20 . 1 . . . . . 136 PRO CB . 28041 1 644 . 1 . 1 137 137 ASP H H 1 9.56 0.03 . 1 . . . . . 137 ASP H . 28041 1 645 . 1 . 1 137 137 ASP C C 13 176.80 0.20 . 1 . . . . . 137 ASP C . 28041 1 646 . 1 . 1 137 137 ASP CA C 13 53.74 0.20 . 1 . . . . . 137 ASP CA . 28041 1 647 . 1 . 1 137 137 ASP CB C 13 42.44 0.20 . 1 . . . . . 137 ASP CB . 28041 1 648 . 1 . 1 137 137 ASP N N 15 121.95 0.20 . 1 . . . . . 137 ASP N . 28041 1 649 . 1 . 1 138 138 GLY H H 1 9.45 0.03 . 1 . . . . . 138 GLY H . 28041 1 650 . 1 . 1 138 138 GLY C C 13 175.41 0.20 . 1 . . . . . 138 GLY C . 28041 1 651 . 1 . 1 138 138 GLY CA C 13 47.51 0.20 . 1 . . . . . 138 GLY CA . 28041 1 652 . 1 . 1 138 138 GLY N N 15 117.79 0.20 . 1 . . . . . 138 GLY N . 28041 1 653 . 1 . 1 139 139 ASP H H 1 8.77 0.03 . 1 . . . . . 139 ASP H . 28041 1 654 . 1 . 1 139 139 ASP C C 13 179.49 0.20 . 1 . . . . . 139 ASP C . 28041 1 655 . 1 . 1 139 139 ASP CA C 13 57.76 0.20 . 1 . . . . . 139 ASP CA . 28041 1 656 . 1 . 1 139 139 ASP CB C 13 39.21 0.20 . 1 . . . . . 139 ASP CB . 28041 1 657 . 1 . 1 139 139 ASP N N 15 122.13 0.20 . 1 . . . . . 139 ASP N . 28041 1 658 . 1 . 1 140 140 THR H H 1 8.02 0.03 . 1 . . . . . 140 THR H . 28041 1 659 . 1 . 1 140 140 THR C C 13 176.51 0.20 . 1 . . . . . 140 THR C . 28041 1 660 . 1 . 1 140 140 THR CA C 13 66.80 0.20 . 1 . . . . . 140 THR CA . 28041 1 661 . 1 . 1 140 140 THR N N 15 119.34 0.20 . 1 . . . . . 140 THR N . 28041 1 662 . 1 . 1 141 141 ARG H H 1 8.61 0.03 . 1 . . . . . 141 ARG H . 28041 1 663 . 1 . 1 141 141 ARG C C 13 179.21 0.20 . 1 . . . . . 141 ARG C . 28041 1 664 . 1 . 1 141 141 ARG CA C 13 61.65 0.20 . 1 . . . . . 141 ARG CA . 28041 1 665 . 1 . 1 141 141 ARG CB C 13 30.25 0.20 . 1 . . . . . 141 ARG CB . 28041 1 666 . 1 . 1 141 141 ARG N N 15 122.79 0.20 . 1 . . . . . 141 ARG N . 28041 1 667 . 1 . 1 142 142 SER H H 1 8.36 0.03 . 1 . . . . . 142 SER H . 28041 1 668 . 1 . 1 142 142 SER C C 13 175.29 0.20 . 1 . . . . . 142 SER C . 28041 1 669 . 1 . 1 142 142 SER CA C 13 62.12 0.20 . 1 . . . . . 142 SER CA . 28041 1 670 . 1 . 1 142 142 SER N N 15 114.50 0.20 . 1 . . . . . 142 SER N . 28041 1 671 . 1 . 1 143 143 ILE H H 1 7.56 0.03 . 1 . . . . . 143 ILE H . 28041 1 672 . 1 . 1 143 143 ILE C C 13 179.16 0.20 . 1 . . . . . 143 ILE C . 28041 1 673 . 1 . 1 143 143 ILE CA C 13 64.61 0.20 . 1 . . . . . 143 ILE CA . 28041 1 674 . 1 . 1 143 143 ILE CB C 13 37.23 0.20 . 1 . . . . . 143 ILE CB . 28041 1 675 . 1 . 1 143 143 ILE N N 15 122.72 0.20 . 1 . . . . . 143 ILE N . 28041 1 676 . 1 . 1 144 144 MET H H 1 8.41 0.03 . 1 . . . . . 144 MET H . 28041 1 677 . 1 . 1 144 144 MET C C 13 179.54 0.20 . 1 . . . . . 144 MET C . 28041 1 678 . 1 . 1 144 144 MET CA C 13 59.23 0.20 . 1 . . . . . 144 MET CA . 28041 1 679 . 1 . 1 144 144 MET CB C 13 33.98 0.20 . 1 . . . . . 144 MET CB . 28041 1 680 . 1 . 1 144 144 MET N N 15 119.57 0.20 . 1 . . . . . 144 MET N . 28041 1 681 . 1 . 1 145 145 LEU H H 1 8.28 0.03 . 1 . . . . . 145 LEU H . 28041 1 682 . 1 . 1 145 145 LEU C C 13 177.56 0.20 . 1 . . . . . 145 LEU C . 28041 1 683 . 1 . 1 145 145 LEU CA C 13 57.72 0.20 . 1 . . . . . 145 LEU CA . 28041 1 684 . 1 . 1 145 145 LEU CB C 13 39.16 0.20 . 1 . . . . . 145 LEU CB . 28041 1 685 . 1 . 1 145 145 LEU N N 15 122.06 0.20 . 1 . . . . . 145 LEU N . 28041 1 686 . 1 . 1 146 146 VAL H H 1 7.72 0.03 . 1 . . . . . 146 VAL H . 28041 1 687 . 1 . 1 146 146 VAL C C 13 179.22 0.20 . 1 . . . . . 146 VAL C . 28041 1 688 . 1 . 1 146 146 VAL CA C 13 66.74 0.20 . 1 . . . . . 146 VAL CA . 28041 1 689 . 1 . 1 146 146 VAL CB C 13 30.65 0.20 . 1 . . . . . 146 VAL CB . 28041 1 690 . 1 . 1 146 146 VAL N N 15 117.97 0.20 . 1 . . . . . 146 VAL N . 28041 1 691 . 1 . 1 147 147 LYS H H 1 8.20 0.03 . 1 . . . . . 147 LYS H . 28041 1 692 . 1 . 1 147 147 LYS C C 13 178.92 0.20 . 1 . . . . . 147 LYS C . 28041 1 693 . 1 . 1 147 147 LYS CA C 13 59.39 0.20 . 1 . . . . . 147 LYS CA . 28041 1 694 . 1 . 1 147 147 LYS CB C 13 31.45 0.20 . 1 . . . . . 147 LYS CB . 28041 1 695 . 1 . 1 147 147 LYS N N 15 121.24 0.20 . 1 . . . . . 147 LYS N . 28041 1 696 . 1 . 1 148 148 MET H H 1 8.00 0.03 . 1 . . . . . 148 MET H . 28041 1 697 . 1 . 1 148 148 MET C C 13 179.54 0.20 . 1 . . . . . 148 MET C . 28041 1 698 . 1 . 1 148 148 MET CA C 13 58.92 0.20 . 1 . . . . . 148 MET CA . 28041 1 699 . 1 . 1 148 148 MET CB C 13 32.28 0.20 . 1 . . . . . 148 MET CB . 28041 1 700 . 1 . 1 148 148 MET N N 15 119.47 0.20 . 1 . . . . . 148 MET N . 28041 1 701 . 1 . 1 149 149 ILE H H 1 8.34 0.03 . 1 . . . . . 149 ILE H . 28041 1 702 . 1 . 1 149 149 ILE C C 13 177.40 0.20 . 1 . . . . . 149 ILE C . 28041 1 703 . 1 . 1 149 149 ILE CA C 13 63.42 0.20 . 1 . . . . . 149 ILE CA . 28041 1 704 . 1 . 1 149 149 ILE CB C 13 36.99 0.20 . 1 . . . . . 149 ILE CB . 28041 1 705 . 1 . 1 149 149 ILE N N 15 114.50 0.20 . 1 . . . . . 149 ILE N . 28041 1 706 . 1 . 1 150 150 SER H H 1 7.81 0.03 . 1 . . . . . 150 SER H . 28041 1 707 . 1 . 1 150 150 SER C C 13 174.42 0.20 . 1 . . . . . 150 SER C . 28041 1 708 . 1 . 1 150 150 SER CA C 13 59.70 0.20 . 1 . . . . . 150 SER CA . 28041 1 709 . 1 . 1 150 150 SER CB C 13 63.08 0.20 . 1 . . . . . 150 SER CB . 28041 1 710 . 1 . 1 150 150 SER N N 15 114.65 0.20 . 1 . . . . . 150 SER N . 28041 1 711 . 1 . 1 151 151 GLN H H 1 7.47 0.03 . 1 . . . . . 151 GLN H . 28041 1 712 . 1 . 1 151 151 GLN C C 13 175.88 0.20 . 1 . . . . . 151 GLN C . 28041 1 713 . 1 . 1 151 151 GLN CA C 13 55.52 0.20 . 1 . . . . . 151 GLN CA . 28041 1 714 . 1 . 1 151 151 GLN CB C 13 28.68 0.20 . 1 . . . . . 151 GLN CB . 28041 1 715 . 1 . 1 151 151 GLN N N 15 119.00 0.20 . 1 . . . . . 151 GLN N . 28041 1 716 . 1 . 1 152 152 GLN H H 1 8.06 0.03 . 1 . . . . . 152 GLN H . 28041 1 717 . 1 . 1 152 152 GLN C C 13 175.92 0.20 . 1 . . . . . 152 GLN C . 28041 1 718 . 1 . 1 152 152 GLN CA C 13 55.43 0.20 . 1 . . . . . 152 GLN CA . 28041 1 719 . 1 . 1 152 152 GLN CB C 13 28.64 0.20 . 1 . . . . . 152 GLN CB . 28041 1 720 . 1 . 1 152 152 GLN N N 15 120.96 0.20 . 1 . . . . . 152 GLN N . 28041 1 721 . 1 . 1 153 153 VAL H H 1 8.31 0.03 . 1 . . . . . 153 VAL H . 28041 1 722 . 1 . 1 153 153 VAL CA C 13 59.65 0.20 . 1 . . . . . 153 VAL CA . 28041 1 723 . 1 . 1 153 153 VAL CB C 13 31.81 0.20 . 1 . . . . . 153 VAL CB . 28041 1 724 . 1 . 1 153 153 VAL N N 15 123.17 0.20 . 1 . . . . . 153 VAL N . 28041 1 725 . 1 . 1 154 154 PRO C C 13 176.86 0.20 . 1 . . . . . 154 PRO C . 28041 1 726 . 1 . 1 154 154 PRO CA C 13 62.81 0.20 . 1 . . . . . 154 PRO CA . 28041 1 727 . 1 . 1 154 154 PRO CB C 13 31.37 0.20 . 1 . . . . . 154 PRO CB . 28041 1 728 . 1 . 1 155 155 MET H H 1 8.53 0.03 . 1 . . . . . 155 MET H . 28041 1 729 . 1 . 1 155 155 MET C C 13 176.21 0.20 . 1 . . . . . 155 MET C . 28041 1 730 . 1 . 1 155 155 MET CA C 13 55.37 0.20 . 1 . . . . . 155 MET CA . 28041 1 731 . 1 . 1 155 155 MET CB C 13 32.50 0.20 . 1 . . . . . 155 MET CB . 28041 1 732 . 1 . 1 155 155 MET N N 15 120.79 0.20 . 1 . . . . . 155 MET N . 28041 1 733 . 1 . 1 156 156 SER H H 1 8.33 0.03 . 1 . . . . . 156 SER H . 28041 1 734 . 1 . 1 156 156 SER C C 13 174.53 0.20 . 1 . . . . . 156 SER C . 28041 1 735 . 1 . 1 156 156 SER CA C 13 57.67 0.20 . 1 . . . . . 156 SER CA . 28041 1 736 . 1 . 1 156 156 SER CB C 13 63.59 0.20 . 1 . . . . . 156 SER CB . 28041 1 737 . 1 . 1 156 156 SER N N 15 116.68 0.20 . 1 . . . . . 156 SER N . 28041 1 738 . 1 . 1 157 157 ILE H H 1 8.28 0.03 . 1 . . . . . 157 ILE H . 28041 1 739 . 1 . 1 157 157 ILE C C 13 176.29 0.20 . 1 . . . . . 157 ILE C . 28041 1 740 . 1 . 1 157 157 ILE CA C 13 60.93 0.20 . 1 . . . . . 157 ILE CA . 28041 1 741 . 1 . 1 157 157 ILE CB C 13 38.08 0.20 . 1 . . . . . 157 ILE CB . 28041 1 742 . 1 . 1 157 157 ILE N N 15 122.06 0.20 . 1 . . . . . 157 ILE N . 28041 1 743 . 1 . 1 158 158 GLU H H 1 8.49 0.03 . 1 . . . . . 158 GLU H . 28041 1 744 . 1 . 1 158 158 GLU C C 13 176.13 0.20 . 1 . . . . . 158 GLU C . 28041 1 745 . 1 . 1 158 158 GLU CA C 13 56.21 0.20 . 1 . . . . . 158 GLU CA . 28041 1 746 . 1 . 1 158 158 GLU CB C 13 29.65 0.20 . 1 . . . . . 158 GLU CB . 28041 1 747 . 1 . 1 158 158 GLU N N 15 123.96 0.20 . 1 . . . . . 158 GLU N . 28041 1 748 . 1 . 1 159 159 ASN H H 1 8.44 0.03 . 1 . . . . . 159 ASN H . 28041 1 749 . 1 . 1 159 159 ASN C C 13 175.35 0.20 . 1 . . . . . 159 ASN C . 28041 1 750 . 1 . 1 159 159 ASN CA C 13 52.99 0.20 . 1 . . . . . 159 ASN CA . 28041 1 751 . 1 . 1 159 159 ASN CB C 13 38.51 0.20 . 1 . . . . . 159 ASN CB . 28041 1 752 . 1 . 1 159 159 ASN N N 15 119.71 0.20 . 1 . . . . . 159 ASN N . 28041 1 753 . 1 . 1 160 160 THR H H 1 8.16 0.03 . 1 . . . . . 160 THR H . 28041 1 754 . 1 . 1 160 160 THR C C 13 174.35 0.20 . 1 . . . . . 160 THR C . 28041 1 755 . 1 . 1 160 160 THR CA C 13 61.65 0.20 . 1 . . . . . 160 THR CA . 28041 1 756 . 1 . 1 160 160 THR CB C 13 69.28 0.20 . 1 . . . . . 160 THR CB . 28041 1 757 . 1 . 1 160 160 THR N N 15 114.33 0.20 . 1 . . . . . 160 THR N . 28041 1 758 . 1 . 1 161 161 ASP H H 1 8.31 0.03 . 1 . . . . . 161 ASP H . 28041 1 759 . 1 . 1 161 161 ASP C C 13 175.95 0.20 . 1 . . . . . 161 ASP C . 28041 1 760 . 1 . 1 161 161 ASP CA C 13 54.10 0.20 . 1 . . . . . 161 ASP CA . 28041 1 761 . 1 . 1 161 161 ASP CB C 13 40.32 0.20 . 1 . . . . . 161 ASP CB . 28041 1 762 . 1 . 1 161 161 ASP N N 15 122.28 0.20 . 1 . . . . . 161 ASP N . 28041 1 763 . 1 . 1 162 162 TRP H H 1 7.92 0.03 . 1 . . . . . 162 TRP H . 28041 1 764 . 1 . 1 162 162 TRP C C 13 176.12 0.20 . 1 . . . . . 162 TRP C . 28041 1 765 . 1 . 1 162 162 TRP CA C 13 56.75 0.20 . 1 . . . . . 162 TRP CA . 28041 1 766 . 1 . 1 162 162 TRP CB C 13 29.29 0.20 . 1 . . . . . 162 TRP CB . 28041 1 767 . 1 . 1 162 162 TRP N N 15 120.83 0.20 . 1 . . . . . 162 TRP N . 28041 1 768 . 1 . 1 163 163 GLU H H 1 8.13 0.03 . 1 . . . . . 163 GLU H . 28041 1 769 . 1 . 1 163 163 GLU C C 13 176.05 0.20 . 1 . . . . . 163 GLU C . 28041 1 770 . 1 . 1 163 163 GLU CA C 13 56.15 0.20 . 1 . . . . . 163 GLU CA . 28041 1 771 . 1 . 1 163 163 GLU CB C 13 29.67 0.20 . 1 . . . . . 163 GLU CB . 28041 1 772 . 1 . 1 163 163 GLU N N 15 121.96 0.20 . 1 . . . . . 163 GLU N . 28041 1 773 . 1 . 1 164 164 VAL H H 1 8.02 0.03 . 1 . . . . . 164 VAL H . 28041 1 774 . 1 . 1 164 164 VAL C C 13 174.97 0.20 . 1 . . . . . 164 VAL C . 28041 1 775 . 1 . 1 164 164 VAL CA C 13 61.76 0.20 . 1 . . . . . 164 VAL CA . 28041 1 776 . 1 . 1 164 164 VAL CB C 13 32.15 0.20 . 1 . . . . . 164 VAL CB . 28041 1 777 . 1 . 1 164 164 VAL N N 15 120.96 0.20 . 1 . . . . . 164 VAL N . 28041 1 778 . 1 . 1 165 165 ALA H H 1 7.97 0.03 . 1 . . . . . 165 ALA H . 28041 1 779 . 1 . 1 165 165 ALA CA C 13 53.46 0.20 . 1 . . . . . 165 ALA CA . 28041 1 780 . 1 . 1 165 165 ALA CB C 13 19.62 0.20 . 1 . . . . . 165 ALA CB . 28041 1 781 . 1 . 1 165 165 ALA N N 15 133.22 0.20 . 1 . . . . . 165 ALA N . 28041 1 stop_ save_