data_26612 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26612 _Entry.Title ; Transmembrane domain of E. coli OmpA in 8 m Urea ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-15 _Entry.Accession_date 2015-07-15 _Entry.Last_release_date 2015-07-15 _Entry.Original_release_date 2015-07-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _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 Bjoern Burmann . M. . . 26612 2 Sebastian Hiller . . . . 26612 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26612 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 26612 '15N chemical shifts' 168 26612 '1H chemical shifts' 168 26612 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 . . 2020-08-30 . original BMRB . 26612 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26613 Skp 26612 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26612 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Regulation of chaperone function by coupled folding and oligomerization ; _Citation.Status accepted _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _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 G. Mas . . . . 26612 1 2 Sebastian Burmann . . . . 26612 1 3 T. Sharpe . M. . . 26612 1 4 B. Claudi . . . . 26612 1 5 D. Burmann . . . . 26612 1 6 Sebastian Hiller . . . . 26612 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26612 _Assembly.ID 1 _Assembly.Name tOmpA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19330 _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 tOmpA 1 $tOmpA A . yes denatured no no . . . 26612 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_tOmpA _Entity.Sf_category entity _Entity.Sf_framecode tOmpA _Entity.Entry_ID 26612 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name tOmpA _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 ; MAPKDNTWYTGAKLGWSQYH DTGFINNNGPTHENQLGAGA FGGYQVNPYVGFEMGYDWLG RMPYKGSVENGAYKAQGVQL TAKLGYPITDDLDIYTRLGG MVWRADTKSNVYGKNHDTGV SPVFAGGVEYAITPEIATRL EYQWTNNIGDAHTIGTRPDN GMLSLGVSYRFGQGEAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'this is the transmembrane domain of E. coli OmpA (1-177)' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 177 _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_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 0 MET . 26612 1 2 1 ALA . 26612 1 3 2 PRO . 26612 1 4 3 LYS . 26612 1 5 4 ASP . 26612 1 6 5 ASN . 26612 1 7 6 THR . 26612 1 8 7 TRP . 26612 1 9 8 TYR . 26612 1 10 9 THR . 26612 1 11 10 GLY . 26612 1 12 11 ALA . 26612 1 13 12 LYS . 26612 1 14 13 LEU . 26612 1 15 14 GLY . 26612 1 16 15 TRP . 26612 1 17 16 SER . 26612 1 18 17 GLN . 26612 1 19 18 TYR . 26612 1 20 19 HIS . 26612 1 21 20 ASP . 26612 1 22 21 THR . 26612 1 23 22 GLY . 26612 1 24 23 PHE . 26612 1 25 24 ILE . 26612 1 26 25 ASN . 26612 1 27 26 ASN . 26612 1 28 27 ASN . 26612 1 29 28 GLY . 26612 1 30 29 PRO . 26612 1 31 30 THR . 26612 1 32 31 HIS . 26612 1 33 32 GLU . 26612 1 34 33 ASN . 26612 1 35 34 GLN . 26612 1 36 35 LEU . 26612 1 37 36 GLY . 26612 1 38 37 ALA . 26612 1 39 38 GLY . 26612 1 40 39 ALA . 26612 1 41 40 PHE . 26612 1 42 41 GLY . 26612 1 43 42 GLY . 26612 1 44 43 TYR . 26612 1 45 44 GLN . 26612 1 46 45 VAL . 26612 1 47 46 ASN . 26612 1 48 47 PRO . 26612 1 49 48 TYR . 26612 1 50 49 VAL . 26612 1 51 50 GLY . 26612 1 52 51 PHE . 26612 1 53 52 GLU . 26612 1 54 53 MET . 26612 1 55 54 GLY . 26612 1 56 55 TYR . 26612 1 57 56 ASP . 26612 1 58 57 TRP . 26612 1 59 58 LEU . 26612 1 60 59 GLY . 26612 1 61 60 ARG . 26612 1 62 61 MET . 26612 1 63 62 PRO . 26612 1 64 63 TYR . 26612 1 65 64 LYS . 26612 1 66 65 GLY . 26612 1 67 66 SER . 26612 1 68 67 VAL . 26612 1 69 68 GLU . 26612 1 70 69 ASN . 26612 1 71 70 GLY . 26612 1 72 71 ALA . 26612 1 73 72 TYR . 26612 1 74 73 LYS . 26612 1 75 74 ALA . 26612 1 76 75 GLN . 26612 1 77 76 GLY . 26612 1 78 77 VAL . 26612 1 79 78 GLN . 26612 1 80 79 LEU . 26612 1 81 80 THR . 26612 1 82 81 ALA . 26612 1 83 82 LYS . 26612 1 84 83 LEU . 26612 1 85 84 GLY . 26612 1 86 85 TYR . 26612 1 87 86 PRO . 26612 1 88 87 ILE . 26612 1 89 88 THR . 26612 1 90 89 ASP . 26612 1 91 90 ASP . 26612 1 92 91 LEU . 26612 1 93 92 ASP . 26612 1 94 93 ILE . 26612 1 95 94 TYR . 26612 1 96 95 THR . 26612 1 97 96 ARG . 26612 1 98 97 LEU . 26612 1 99 98 GLY . 26612 1 100 99 GLY . 26612 1 101 100 MET . 26612 1 102 101 VAL . 26612 1 103 102 TRP . 26612 1 104 103 ARG . 26612 1 105 104 ALA . 26612 1 106 105 ASP . 26612 1 107 106 THR . 26612 1 108 107 LYS . 26612 1 109 108 SER . 26612 1 110 109 ASN . 26612 1 111 110 VAL . 26612 1 112 111 TYR . 26612 1 113 112 GLY . 26612 1 114 113 LYS . 26612 1 115 114 ASN . 26612 1 116 115 HIS . 26612 1 117 116 ASP . 26612 1 118 117 THR . 26612 1 119 118 GLY . 26612 1 120 119 VAL . 26612 1 121 120 SER . 26612 1 122 121 PRO . 26612 1 123 122 VAL . 26612 1 124 123 PHE . 26612 1 125 124 ALA . 26612 1 126 125 GLY . 26612 1 127 126 GLY . 26612 1 128 127 VAL . 26612 1 129 128 GLU . 26612 1 130 129 TYR . 26612 1 131 130 ALA . 26612 1 132 131 ILE . 26612 1 133 132 THR . 26612 1 134 133 PRO . 26612 1 135 134 GLU . 26612 1 136 135 ILE . 26612 1 137 136 ALA . 26612 1 138 137 THR . 26612 1 139 138 ARG . 26612 1 140 139 LEU . 26612 1 141 140 GLU . 26612 1 142 141 TYR . 26612 1 143 142 GLN . 26612 1 144 143 TRP . 26612 1 145 144 THR . 26612 1 146 145 ASN . 26612 1 147 146 ASN . 26612 1 148 147 ILE . 26612 1 149 148 GLY . 26612 1 150 149 ASP . 26612 1 151 150 ALA . 26612 1 152 151 HIS . 26612 1 153 152 THR . 26612 1 154 153 ILE . 26612 1 155 154 GLY . 26612 1 156 155 THR . 26612 1 157 156 ARG . 26612 1 158 157 PRO . 26612 1 159 158 ASP . 26612 1 160 159 ASN . 26612 1 161 160 GLY . 26612 1 162 161 MET . 26612 1 163 162 LEU . 26612 1 164 163 SER . 26612 1 165 164 LEU . 26612 1 166 165 GLY . 26612 1 167 166 VAL . 26612 1 168 167 SER . 26612 1 169 168 TYR . 26612 1 170 169 ARG . 26612 1 171 170 PHE . 26612 1 172 171 GLY . 26612 1 173 172 GLN . 26612 1 174 173 GLY . 26612 1 175 174 GLU . 26612 1 176 175 ALA . 26612 1 177 176 ALA . 26612 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 26612 1 . ALA 2 2 26612 1 . PRO 3 3 26612 1 . LYS 4 4 26612 1 . ASP 5 5 26612 1 . ASN 6 6 26612 1 . THR 7 7 26612 1 . TRP 8 8 26612 1 . TYR 9 9 26612 1 . THR 10 10 26612 1 . GLY 11 11 26612 1 . ALA 12 12 26612 1 . LYS 13 13 26612 1 . LEU 14 14 26612 1 . GLY 15 15 26612 1 . TRP 16 16 26612 1 . SER 17 17 26612 1 . GLN 18 18 26612 1 . TYR 19 19 26612 1 . HIS 20 20 26612 1 . ASP 21 21 26612 1 . THR 22 22 26612 1 . GLY 23 23 26612 1 . PHE 24 24 26612 1 . ILE 25 25 26612 1 . ASN 26 26 26612 1 . ASN 27 27 26612 1 . ASN 28 28 26612 1 . GLY 29 29 26612 1 . PRO 30 30 26612 1 . THR 31 31 26612 1 . HIS 32 32 26612 1 . GLU 33 33 26612 1 . ASN 34 34 26612 1 . GLN 35 35 26612 1 . LEU 36 36 26612 1 . GLY 37 37 26612 1 . ALA 38 38 26612 1 . GLY 39 39 26612 1 . ALA 40 40 26612 1 . PHE 41 41 26612 1 . GLY 42 42 26612 1 . GLY 43 43 26612 1 . TYR 44 44 26612 1 . GLN 45 45 26612 1 . VAL 46 46 26612 1 . ASN 47 47 26612 1 . PRO 48 48 26612 1 . TYR 49 49 26612 1 . VAL 50 50 26612 1 . GLY 51 51 26612 1 . PHE 52 52 26612 1 . GLU 53 53 26612 1 . MET 54 54 26612 1 . GLY 55 55 26612 1 . TYR 56 56 26612 1 . ASP 57 57 26612 1 . TRP 58 58 26612 1 . LEU 59 59 26612 1 . GLY 60 60 26612 1 . ARG 61 61 26612 1 . MET 62 62 26612 1 . PRO 63 63 26612 1 . TYR 64 64 26612 1 . LYS 65 65 26612 1 . GLY 66 66 26612 1 . SER 67 67 26612 1 . VAL 68 68 26612 1 . GLU 69 69 26612 1 . ASN 70 70 26612 1 . GLY 71 71 26612 1 . ALA 72 72 26612 1 . TYR 73 73 26612 1 . LYS 74 74 26612 1 . ALA 75 75 26612 1 . GLN 76 76 26612 1 . GLY 77 77 26612 1 . VAL 78 78 26612 1 . GLN 79 79 26612 1 . LEU 80 80 26612 1 . THR 81 81 26612 1 . ALA 82 82 26612 1 . LYS 83 83 26612 1 . LEU 84 84 26612 1 . GLY 85 85 26612 1 . TYR 86 86 26612 1 . PRO 87 87 26612 1 . ILE 88 88 26612 1 . THR 89 89 26612 1 . ASP 90 90 26612 1 . ASP 91 91 26612 1 . LEU 92 92 26612 1 . ASP 93 93 26612 1 . ILE 94 94 26612 1 . TYR 95 95 26612 1 . THR 96 96 26612 1 . ARG 97 97 26612 1 . LEU 98 98 26612 1 . GLY 99 99 26612 1 . GLY 100 100 26612 1 . MET 101 101 26612 1 . VAL 102 102 26612 1 . TRP 103 103 26612 1 . ARG 104 104 26612 1 . ALA 105 105 26612 1 . ASP 106 106 26612 1 . THR 107 107 26612 1 . LYS 108 108 26612 1 . SER 109 109 26612 1 . ASN 110 110 26612 1 . VAL 111 111 26612 1 . TYR 112 112 26612 1 . GLY 113 113 26612 1 . LYS 114 114 26612 1 . ASN 115 115 26612 1 . HIS 116 116 26612 1 . ASP 117 117 26612 1 . THR 118 118 26612 1 . GLY 119 119 26612 1 . VAL 120 120 26612 1 . SER 121 121 26612 1 . PRO 122 122 26612 1 . VAL 123 123 26612 1 . PHE 124 124 26612 1 . ALA 125 125 26612 1 . GLY 126 126 26612 1 . GLY 127 127 26612 1 . VAL 128 128 26612 1 . GLU 129 129 26612 1 . TYR 130 130 26612 1 . ALA 131 131 26612 1 . ILE 132 132 26612 1 . THR 133 133 26612 1 . PRO 134 134 26612 1 . GLU 135 135 26612 1 . ILE 136 136 26612 1 . ALA 137 137 26612 1 . THR 138 138 26612 1 . ARG 139 139 26612 1 . LEU 140 140 26612 1 . GLU 141 141 26612 1 . TYR 142 142 26612 1 . GLN 143 143 26612 1 . TRP 144 144 26612 1 . THR 145 145 26612 1 . ASN 146 146 26612 1 . ASN 147 147 26612 1 . ILE 148 148 26612 1 . GLY 149 149 26612 1 . ASP 150 150 26612 1 . ALA 151 151 26612 1 . HIS 152 152 26612 1 . THR 153 153 26612 1 . ILE 154 154 26612 1 . GLY 155 155 26612 1 . THR 156 156 26612 1 . ARG 157 157 26612 1 . PRO 158 158 26612 1 . ASP 159 159 26612 1 . ASN 160 160 26612 1 . GLY 161 161 26612 1 . MET 162 162 26612 1 . LEU 163 163 26612 1 . SER 164 164 26612 1 . LEU 165 165 26612 1 . GLY 166 166 26612 1 . VAL 167 167 26612 1 . SER 168 168 26612 1 . TYR 169 169 26612 1 . ARG 170 170 26612 1 . PHE 171 171 26612 1 . GLY 172 172 26612 1 . GLN 173 173 26612 1 . GLY 174 174 26612 1 . GLU 175 175 26612 1 . ALA 176 176 26612 1 . ALA 177 177 26612 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 26612 _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 $tOmpA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26612 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 26612 _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 $tOmpA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b . . . 26612 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26612 _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 tOmpA '[U-13C; U-15N; U-2H]' . . 1 $tOmpA . . 1 . . mM . . . . 26612 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26612 1 3 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 26612 1 4 MES 'natural abundance' . . . . . . 25 . . mM . . . . 26612 1 5 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 26612 1 6 urea 'natural abundance' . . . . . . 8 . . M . . . . 26612 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26612 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 26612 _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' 150 . mM 26612 1 pH 6.5 . pH 26612 1 pressure 1 . atm 26612 1 temperature 288.15 . K 26612 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26612 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26612 1 Guntert . . 26612 1 'Herrmann and Wuthrich' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 26612 1 'Keller and Wuthrich' . . 26612 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 26612 1 . collection 26612 1 . processing 26612 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 26612 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ascend _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 26612 _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 Ascend . 700 . . . 26612 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 26612 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26612 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26612 1 3 '5D APSY HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26612 1 4 '4D APSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26612 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 26612 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 26612 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26612 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26612 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 26612 _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 . _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' . . . 26612 1 2 '3D HNCACB' . . . 26612 1 3 '5D APSY HNCOCACB' . . . 26612 1 4 '4D APSY HNCACB' . . . 26612 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 2 2 ALA H H 1 8.74 0.02 . 1 . . . . . 2 ALA H . 26612 1 2 . 1 . 1 2 2 ALA CA C 13 50.7 0.3 . 1 . . . . . 2 ALA CA . 26612 1 3 . 1 . 1 2 2 ALA N N 15 128.1 0.3 . 1 . . . . . 2 ALA N . 26612 1 4 . 1 . 1 3 3 PRO C C 13 176.8 0.3 . 1 . . . . . 3 PRO C . 26612 1 5 . 1 . 1 3 3 PRO CA C 13 62.9 0.3 . 1 . . . . . 3 PRO CA . 26612 1 6 . 1 . 1 3 3 PRO CB C 13 31.3 0.3 . 1 . . . . . 3 PRO CB . 26612 1 7 . 1 . 1 4 4 LYS H H 1 8.37 0.02 . 1 . . . . . 4 LYS H . 26612 1 8 . 1 . 1 4 4 LYS C C 13 176.3 0.3 . 1 . . . . . 4 LYS C . 26612 1 9 . 1 . 1 4 4 LYS CA C 13 56.1 0.3 . 1 . . . . . 4 LYS CA . 26612 1 10 . 1 . 1 4 4 LYS CB C 13 32.3 0.3 . 1 . . . . . 4 LYS CB . 26612 1 11 . 1 . 1 4 4 LYS N N 15 121.3 0.3 . 1 . . . . . 4 LYS N . 26612 1 12 . 1 . 1 5 5 ASP H H 1 8.30 0.02 . 1 . . . . . 5 ASP H . 26612 1 13 . 1 . 1 5 5 ASP C C 13 176.0 0.3 . 1 . . . . . 5 ASP C . 26612 1 14 . 1 . 1 5 5 ASP CA C 13 53.9 0.3 . 1 . . . . . 5 ASP CA . 26612 1 15 . 1 . 1 5 5 ASP CB C 13 40.9 0.3 . 1 . . . . . 5 ASP CB . 26612 1 16 . 1 . 1 5 5 ASP N N 15 121.1 0.3 . 1 . . . . . 5 ASP N . 26612 1 17 . 1 . 1 6 6 ASN H H 1 8.46 0.02 . 1 . . . . . 6 ASN H . 26612 1 18 . 1 . 1 6 6 ASN C C 13 176.0 0.3 . 1 . . . . . 6 ASN C . 26612 1 19 . 1 . 1 6 6 ASN CA C 13 53.1 0.3 . 1 . . . . . 6 ASN CA . 26612 1 20 . 1 . 1 6 6 ASN CB C 13 38.4 0.3 . 1 . . . . . 6 ASN CB . 26612 1 21 . 1 . 1 6 6 ASN N N 15 119.7 0.3 . 1 . . . . . 6 ASN N . 26612 1 22 . 1 . 1 7 7 THR H H 1 8.17 0.02 . 1 . . . . . 7 THR H . 26612 1 23 . 1 . 1 7 7 THR C C 13 174.5 0.3 . 1 . . . . . 7 THR C . 26612 1 24 . 1 . 1 7 7 THR CA C 13 62.5 0.3 . 1 . . . . . 7 THR CA . 26612 1 25 . 1 . 1 7 7 THR CB C 13 69.4 0.3 . 1 . . . . . 7 THR CB . 26612 1 26 . 1 . 1 7 7 THR N N 15 113.9 0.3 . 1 . . . . . 7 THR N . 26612 1 27 . 1 . 1 8 8 TRP H H 1 8.05 0.02 . 1 . . . . . 8 TRP H . 26612 1 28 . 1 . 1 8 8 TRP C C 13 175.7 0.3 . 1 . . . . . 8 TRP C . 26612 1 29 . 1 . 1 8 8 TRP CA C 13 56.9 0.3 . 1 . . . . . 8 TRP CA . 26612 1 30 . 1 . 1 8 8 TRP CB C 13 29.1 0.3 . 1 . . . . . 8 TRP CB . 26612 1 31 . 1 . 1 8 8 TRP N N 15 122.8 0.3 . 1 . . . . . 8 TRP N . 26612 1 32 . 1 . 1 9 9 TYR H H 1 7.90 0.02 . 1 . . . . . 9 TYR H . 26612 1 33 . 1 . 1 9 9 TYR C C 13 175.9 0.3 . 1 . . . . . 9 TYR C . 26612 1 34 . 1 . 1 9 9 TYR CA C 13 57.8 0.3 . 1 . . . . . 9 TYR CA . 26612 1 35 . 1 . 1 9 9 TYR CB C 13 38.1 0.3 . 1 . . . . . 9 TYR CB . 26612 1 36 . 1 . 1 9 9 TYR N N 15 121.6 0.3 . 1 . . . . . 9 TYR N . 26612 1 37 . 1 . 1 10 10 THR H H 1 8.03 0.02 . 1 . . . . . 10 THR H . 26612 1 38 . 1 . 1 10 10 THR C C 13 174.8 0.3 . 1 . . . . . 10 THR C . 26612 1 39 . 1 . 1 10 10 THR CA C 13 61.5 0.3 . 1 . . . . . 10 THR CA . 26612 1 40 . 1 . 1 10 10 THR CB C 13 69.5 0.3 . 1 . . . . . 10 THR CB . 26612 1 41 . 1 . 1 10 10 THR N N 15 115.5 0.3 . 1 . . . . . 10 THR N . 26612 1 42 . 1 . 1 11 11 GLY H H 1 7.45 0.02 . 1 . . . . . 11 GLY H . 26612 1 43 . 1 . 1 11 11 GLY C C 13 173.4 0.3 . 1 . . . . . 11 GLY C . 26612 1 44 . 1 . 1 11 11 GLY CA C 13 44.8 0.3 . 1 . . . . . 11 GLY CA . 26612 1 45 . 1 . 1 11 11 GLY N N 15 109.7 0.3 . 1 . . . . . 11 GLY N . 26612 1 46 . 1 . 1 12 12 ALA H H 1 8.00 0.02 . 1 . . . . . 12 ALA H . 26612 1 47 . 1 . 1 12 12 ALA C C 13 177.7 0.3 . 1 . . . . . 12 ALA C . 26612 1 48 . 1 . 1 12 12 ALA CA C 13 52.2 0.3 . 1 . . . . . 12 ALA CA . 26612 1 49 . 1 . 1 12 12 ALA CB C 13 18.6 0.3 . 1 . . . . . 12 ALA CB . 26612 1 50 . 1 . 1 12 12 ALA N N 15 123.1 0.3 . 1 . . . . . 12 ALA N . 26612 1 51 . 1 . 1 13 13 LYS H H 1 8.27 0.02 . 1 . . . . . 13 LYS H . 26612 1 52 . 1 . 1 13 13 LYS C C 13 176.5 0.3 . 1 . . . . . 13 LYS C . 26612 1 53 . 1 . 1 13 13 LYS CA C 13 56.1 0.3 . 1 . . . . . 13 LYS CA . 26612 1 54 . 1 . 1 13 13 LYS CB C 13 32.2 0.3 . 1 . . . . . 13 LYS CB . 26612 1 55 . 1 . 1 13 13 LYS N N 15 120.9 0.3 . 1 . . . . . 13 LYS N . 26612 1 56 . 1 . 1 14 14 LEU H H 1 8.29 0.02 . 1 . . . . . 14 LEU H . 26612 1 57 . 1 . 1 14 14 LEU C C 13 177.8 0.3 . 1 . . . . . 14 LEU C . 26612 1 58 . 1 . 1 14 14 LEU CA C 13 54.8 0.3 . 1 . . . . . 14 LEU CA . 26612 1 59 . 1 . 1 14 14 LEU CB C 13 41.6 0.3 . 1 . . . . . 14 LEU CB . 26612 1 60 . 1 . 1 14 14 LEU N N 15 123.7 0.3 . 1 . . . . . 14 LEU N . 26612 1 61 . 1 . 1 15 15 GLY H H 1 8.30 0.02 . 1 . . . . . 15 GLY H . 26612 1 62 . 1 . 1 15 15 GLY C C 13 173.7 0.3 . 1 . . . . . 15 GLY C . 26612 1 63 . 1 . 1 15 15 GLY CA C 13 44.9 0.3 . 1 . . . . . 15 GLY CA . 26612 1 64 . 1 . 1 15 15 GLY N N 15 109.0 0.3 . 1 . . . . . 15 GLY N . 26612 1 65 . 1 . 1 16 16 TRP H H 1 8.06 0.02 . 1 . . . . . 16 TRP H . 26612 1 66 . 1 . 1 16 16 TRP C C 13 176.3 0.3 . 1 . . . . . 16 TRP C . 26612 1 67 . 1 . 1 16 16 TRP CA C 13 57.3 0.3 . 1 . . . . . 16 TRP CA . 26612 1 68 . 1 . 1 16 16 TRP CB C 13 29.4 0.3 . 1 . . . . . 16 TRP CB . 26612 1 69 . 1 . 1 16 16 TRP N N 15 121.0 0.3 . 1 . . . . . 16 TRP N . 26612 1 70 . 1 . 1 17 17 SER H H 1 8.18 0.02 . 1 . . . . . 17 SER H . 26612 1 71 . 1 . 1 17 17 SER C C 13 174.1 0.3 . 1 . . . . . 17 SER C . 26612 1 72 . 1 . 1 17 17 SER CA C 13 58.0 0.3 . 1 . . . . . 17 SER CA . 26612 1 73 . 1 . 1 17 17 SER CB C 13 63.5 0.3 . 1 . . . . . 17 SER CB . 26612 1 74 . 1 . 1 17 17 SER N N 15 117.3 0.3 . 1 . . . . . 17 SER N . 26612 1 75 . 1 . 1 18 18 GLN H H 1 8.22 0.02 . 1 . . . . . 18 GLN H . 26612 1 76 . 1 . 1 18 18 GLN C C 13 175.4 0.3 . 1 . . . . . 18 GLN C . 26612 1 77 . 1 . 1 18 18 GLN CA C 13 55.8 0.3 . 1 . . . . . 18 GLN CA . 26612 1 78 . 1 . 1 18 18 GLN CB C 13 28.8 0.3 . 1 . . . . . 18 GLN CB . 26612 1 79 . 1 . 1 18 18 GLN N N 15 121.9 0.3 . 1 . . . . . 18 GLN N . 26612 1 80 . 1 . 1 19 19 TYR H H 1 8.06 0.02 . 1 . . . . . 19 TYR H . 26612 1 81 . 1 . 1 19 19 TYR C C 13 175.4 0.3 . 1 . . . . . 19 TYR C . 26612 1 82 . 1 . 1 19 19 TYR CA C 13 57.8 0.3 . 1 . . . . . 19 TYR CA . 26612 1 83 . 1 . 1 19 19 TYR CB C 13 38.2 0.3 . 1 . . . . . 19 TYR CB . 26612 1 84 . 1 . 1 19 19 TYR N N 15 120.6 0.3 . 1 . . . . . 19 TYR N . 26612 1 85 . 1 . 1 20 20 HIS H H 1 8.18 0.02 . 1 . . . . . 20 HIS H . 26612 1 86 . 1 . 1 20 20 HIS C C 13 173.7 0.3 . 1 . . . . . 20 HIS C . 26612 1 87 . 1 . 1 20 20 HIS CA C 13 54.9 0.3 . 1 . . . . . 20 HIS CA . 26612 1 88 . 1 . 1 20 20 HIS CB C 13 29.4 0.3 . 1 . . . . . 20 HIS CB . 26612 1 89 . 1 . 1 20 20 HIS N N 15 120.9 0.3 . 1 . . . . . 20 HIS N . 26612 1 90 . 1 . 1 21 21 ASP H H 1 8.35 0.02 . 1 . . . . . 21 ASP H . 26612 1 91 . 1 . 1 21 21 ASP C C 13 176.5 0.3 . 1 . . . . . 21 ASP C . 26612 1 92 . 1 . 1 21 21 ASP CA C 13 54.1 0.3 . 1 . . . . . 21 ASP CA . 26612 1 93 . 1 . 1 21 21 ASP CB C 13 41.0 0.3 . 1 . . . . . 21 ASP CB . 26612 1 94 . 1 . 1 21 21 ASP N N 15 122.2 0.3 . 1 . . . . . 21 ASP N . 26612 1 95 . 1 . 1 22 22 THR H H 1 8.18 0.02 . 1 . . . . . 22 THR H . 26612 1 96 . 1 . 1 22 22 THR C C 13 175.3 0.3 . 1 . . . . . 22 THR C . 26612 1 97 . 1 . 1 22 22 THR CA C 13 61.7 0.3 . 1 . . . . . 22 THR CA . 26612 1 98 . 1 . 1 22 22 THR CB C 13 69.5 0.3 . 1 . . . . . 22 THR CB . 26612 1 99 . 1 . 1 22 22 THR N N 15 113.9 0.3 . 1 . . . . . 22 THR N . 26612 1 100 . 1 . 1 23 23 GLY H H 1 8.42 0.02 . 1 . . . . . 23 GLY H . 26612 1 101 . 1 . 1 23 23 GLY C C 13 173.6 0.3 . 1 . . . . . 23 GLY C . 26612 1 102 . 1 . 1 23 23 GLY CA C 13 44.8 0.3 . 1 . . . . . 23 GLY CA . 26612 1 103 . 1 . 1 23 23 GLY N N 15 110.8 0.3 . 1 . . . . . 23 GLY N . 26612 1 104 . 1 . 1 24 24 PHE H H 1 7.99 0.02 . 1 . . . . . 24 PHE H . 26612 1 105 . 1 . 1 24 24 PHE C C 13 175.4 0.3 . 1 . . . . . 24 PHE C . 26612 1 106 . 1 . 1 24 24 PHE CA C 13 57.6 0.3 . 1 . . . . . 24 PHE CA . 26612 1 107 . 1 . 1 24 24 PHE CB C 13 39.1 0.3 . 1 . . . . . 24 PHE CB . 26612 1 108 . 1 . 1 24 24 PHE N N 15 120.1 0.3 . 1 . . . . . 24 PHE N . 26612 1 109 . 1 . 1 25 25 ILE H H 1 8.11 0.02 . 1 . . . . . 25 ILE H . 26612 1 110 . 1 . 1 25 25 ILE C C 13 175.4 0.3 . 1 . . . . . 25 ILE C . 26612 1 111 . 1 . 1 25 25 ILE CA C 13 60.6 0.3 . 1 . . . . . 25 ILE CA . 26612 1 112 . 1 . 1 25 25 ILE CB C 13 38.0 0.3 . 1 . . . . . 25 ILE CB . 26612 1 113 . 1 . 1 25 25 ILE N N 15 123.3 0.3 . 1 . . . . . 25 ILE N . 26612 1 114 . 1 . 1 26 26 ASN H H 1 8.42 0.02 . 1 . . . . . 26 ASN H . 26612 1 115 . 1 . 1 26 26 ASN C C 13 174.9 0.3 . 1 . . . . . 26 ASN C . 26612 1 116 . 1 . 1 26 26 ASN CA C 13 52.8 0.3 . 1 . . . . . 26 ASN CA . 26612 1 117 . 1 . 1 26 26 ASN CB C 13 38.5 0.3 . 1 . . . . . 26 ASN CB . 26612 1 118 . 1 . 1 26 26 ASN N N 15 122.8 0.3 . 1 . . . . . 26 ASN N . 26612 1 119 . 1 . 1 27 27 ASN H H 1 8.46 0.02 . 1 . . . . . 27 ASN H . 26612 1 120 . 1 . 1 27 27 ASN C C 13 176.0 0.3 . 1 . . . . . 27 ASN C . 26612 1 121 . 1 . 1 27 27 ASN CA C 13 52.9 0.3 . 1 . . . . . 27 ASN CA . 26612 1 122 . 1 . 1 27 27 ASN CB C 13 38.5 0.3 . 1 . . . . . 27 ASN CB . 26612 1 123 . 1 . 1 27 27 ASN N N 15 120.2 0.3 . 1 . . . . . 27 ASN N . 26612 1 124 . 1 . 1 28 28 ASN H H 1 8.38 0.02 . 1 . . . . . 28 ASN H . 26612 1 125 . 1 . 1 28 28 ASN C C 13 175.6 0.3 . 1 . . . . . 28 ASN C . 26612 1 126 . 1 . 1 28 28 ASN CA C 13 52.9 0.3 . 1 . . . . . 28 ASN CA . 26612 1 127 . 1 . 1 28 28 ASN CB C 13 38.7 0.3 . 1 . . . . . 28 ASN CB . 26612 1 128 . 1 . 1 28 28 ASN N N 15 118.9 0.3 . 1 . . . . . 28 ASN N . 26612 1 129 . 1 . 1 29 29 GLY H H 1 8.11 0.02 . 1 . . . . . 29 GLY H . 26612 1 130 . 1 . 1 29 29 GLY CA C 13 44.3 0.3 . 1 . . . . . 29 GLY CA . 26612 1 131 . 1 . 1 29 29 GLY N N 15 108.6 0.3 . 1 . . . . . 29 GLY N . 26612 1 132 . 1 . 1 30 30 PRO C C 13 177.3 0.3 . 1 . . . . . 30 PRO C . 26612 1 133 . 1 . 1 30 30 PRO CA C 13 62.9 0.3 . 1 . . . . . 30 PRO CA . 26612 1 134 . 1 . 1 30 30 PRO CB C 13 31.5 0.3 . 1 . . . . . 30 PRO CB . 26612 1 135 . 1 . 1 31 31 THR H H 1 8.25 0.02 . 1 . . . . . 31 THR H . 26612 1 136 . 1 . 1 31 31 THR C C 13 174.5 0.3 . 1 . . . . . 31 THR C . 26612 1 137 . 1 . 1 31 31 THR CA C 13 61.6 0.3 . 1 . . . . . 31 THR CA . 26612 1 138 . 1 . 1 31 31 THR CB C 13 69.6 0.3 . 1 . . . . . 31 THR CB . 26612 1 139 . 1 . 1 31 31 THR N N 15 113.9 0.3 . 1 . . . . . 31 THR N . 26612 1 140 . 1 . 1 32 32 HIS H H 1 8.45 0.02 . 1 . . . . . 32 HIS H . 26612 1 141 . 1 . 1 32 32 HIS C C 13 174.6 0.3 . 1 . . . . . 32 HIS C . 26612 1 142 . 1 . 1 32 32 HIS CA C 13 55.4 0.3 . 1 . . . . . 32 HIS CA . 26612 1 143 . 1 . 1 32 32 HIS CB C 13 29.2 0.3 . 1 . . . . . 32 HIS CB . 26612 1 144 . 1 . 1 32 32 HIS N N 15 120.4 0.3 . 1 . . . . . 32 HIS N . 26612 1 145 . 1 . 1 33 33 GLU H H 1 8.50 0.02 . 1 . . . . . 33 GLU H . 26612 1 146 . 1 . 1 33 33 GLU C C 13 176.2 0.3 . 1 . . . . . 33 GLU C . 26612 1 147 . 1 . 1 33 33 GLU CA C 13 56.3 0.3 . 1 . . . . . 33 GLU CA . 26612 1 148 . 1 . 1 33 33 GLU CB C 13 29.4 0.3 . 1 . . . . . 33 GLU CB . 26612 1 149 . 1 . 1 33 33 GLU N N 15 122.0 0.3 . 1 . . . . . 33 GLU N . 26612 1 150 . 1 . 1 34 34 ASN H H 1 8.60 0.02 . 1 . . . . . 34 ASN H . 26612 1 151 . 1 . 1 34 34 ASN C C 13 175.2 0.3 . 1 . . . . . 34 ASN C . 26612 1 152 . 1 . 1 34 34 ASN CA C 13 53.1 0.3 . 1 . . . . . 34 ASN CA . 26612 1 153 . 1 . 1 34 34 ASN CB C 13 38.4 0.3 . 1 . . . . . 34 ASN CB . 26612 1 154 . 1 . 1 34 34 ASN N N 15 119.9 0.3 . 1 . . . . . 34 ASN N . 26612 1 155 . 1 . 1 35 35 GLN H H 1 8.40 0.02 . 1 . . . . . 35 GLN H . 26612 1 156 . 1 . 1 35 35 GLN C C 13 176.0 0.3 . 1 . . . . . 35 GLN C . 26612 1 157 . 1 . 1 35 35 GLN CA C 13 55.6 0.3 . 1 . . . . . 35 GLN CA . 26612 1 158 . 1 . 1 35 35 GLN CB C 13 28.8 0.3 . 1 . . . . . 35 GLN CB . 26612 1 159 . 1 . 1 35 35 GLN N N 15 120.8 0.3 . 1 . . . . . 35 GLN N . 26612 1 160 . 1 . 1 36 36 LEU H H 1 8.29 0.02 . 1 . . . . . 36 LEU H . 26612 1 161 . 1 . 1 36 36 LEU C C 13 177.8 0.3 . 1 . . . . . 36 LEU C . 26612 1 162 . 1 . 1 36 36 LEU CA C 13 55.0 0.3 . 1 . . . . . 36 LEU CA . 26612 1 163 . 1 . 1 36 36 LEU CB C 13 41.4 0.3 . 1 . . . . . 36 LEU CB . 26612 1 164 . 1 . 1 36 36 LEU N N 15 123.0 0.3 . 1 . . . . . 36 LEU N . 26612 1 165 . 1 . 1 37 37 GLY H H 1 8.34 0.02 . 1 . . . . . 37 GLY H . 26612 1 166 . 1 . 1 37 37 GLY C C 13 173.8 0.3 . 1 . . . . . 37 GLY C . 26612 1 167 . 1 . 1 37 37 GLY CA C 13 44.8 0.3 . 1 . . . . . 37 GLY CA . 26612 1 168 . 1 . 1 37 37 GLY N N 15 109.5 0.3 . 1 . . . . . 37 GLY N . 26612 1 169 . 1 . 1 38 38 ALA H H 1 8.16 0.02 . 1 . . . . . 38 ALA H . 26612 1 170 . 1 . 1 38 38 ALA C C 13 178.3 0.3 . 1 . . . . . 38 ALA C . 26612 1 171 . 1 . 1 38 38 ALA CA C 13 52.5 0.3 . 1 . . . . . 38 ALA CA . 26612 1 172 . 1 . 1 38 38 ALA CB C 13 18.5 0.3 . 1 . . . . . 38 ALA CB . 26612 1 173 . 1 . 1 38 38 ALA N N 15 123.4 0.3 . 1 . . . . . 38 ALA N . 26612 1 174 . 1 . 1 39 39 GLY H H 1 8.31 0.02 . 1 . . . . . 39 GLY H . 26612 1 175 . 1 . 1 39 39 GLY C C 13 173.9 0.3 . 1 . . . . . 39 GLY C . 26612 1 176 . 1 . 1 39 39 GLY CA C 13 44.8 0.3 . 1 . . . . . 39 GLY CA . 26612 1 177 . 1 . 1 39 39 GLY N N 15 107.7 0.3 . 1 . . . . . 39 GLY N . 26612 1 178 . 1 . 1 40 40 ALA H H 1 8.00 0.02 . 1 . . . . . 40 ALA H . 26612 1 179 . 1 . 1 40 40 ALA C C 13 177.5 0.3 . 1 . . . . . 40 ALA C . 26612 1 180 . 1 . 1 40 40 ALA CA C 13 52.2 0.3 . 1 . . . . . 40 ALA CA . 26612 1 181 . 1 . 1 40 40 ALA CB C 13 18.6 0.3 . 1 . . . . . 40 ALA CB . 26612 1 182 . 1 . 1 40 40 ALA N N 15 123.2 0.3 . 1 . . . . . 40 ALA N . 26612 1 183 . 1 . 1 41 41 PHE H H 1 8.25 0.02 . 1 . . . . . 41 PHE H . 26612 1 184 . 1 . 1 41 41 PHE C C 13 176.3 0.3 . 1 . . . . . 41 PHE C . 26612 1 185 . 1 . 1 41 41 PHE CA C 13 57.5 0.3 . 1 . . . . . 41 PHE CA . 26612 1 186 . 1 . 1 41 41 PHE CB C 13 38.8 0.3 . 1 . . . . . 41 PHE CB . 26612 1 187 . 1 . 1 41 41 PHE N N 15 119.2 0.3 . 1 . . . . . 41 PHE N . 26612 1 188 . 1 . 1 42 42 GLY H H 1 8.23 0.02 . 1 . . . . . 42 GLY H . 26612 1 189 . 1 . 1 42 42 GLY CA C 13 44.9 0.3 . 1 . . . . . 42 GLY CA . 26612 1 190 . 1 . 1 42 42 GLY N N 15 110.6 0.3 . 1 . . . . . 42 GLY N . 26612 1 191 . 1 . 1 43 43 GLY H H 1 7.64 0.02 . 1 . . . . . 43 GLY H . 26612 1 192 . 1 . 1 43 43 GLY C C 13 173.6 0.3 . 1 . . . . . 43 GLY C . 26612 1 193 . 1 . 1 43 43 GLY CA C 13 44.8 0.3 . 1 . . . . . 43 GLY CA . 26612 1 194 . 1 . 1 43 43 GLY N N 15 107.7 0.3 . 1 . . . . . 43 GLY N . 26612 1 195 . 1 . 1 44 44 TYR H H 1 7.97 0.02 . 1 . . . . . 44 TYR H . 26612 1 196 . 1 . 1 44 44 TYR C C 13 175.6 0.3 . 1 . . . . . 44 TYR C . 26612 1 197 . 1 . 1 44 44 TYR CA C 13 57.7 0.3 . 1 . . . . . 44 TYR CA . 26612 1 198 . 1 . 1 44 44 TYR CB C 13 38.3 0.3 . 1 . . . . . 44 TYR CB . 26612 1 199 . 1 . 1 44 44 TYR N N 15 119.7 0.3 . 1 . . . . . 44 TYR N . 26612 1 200 . 1 . 1 45 45 GLN H H 1 8.35 0.02 . 1 . . . . . 45 GLN H . 26612 1 201 . 1 . 1 45 45 GLN C C 13 175.3 0.3 . 1 . . . . . 45 GLN C . 26612 1 202 . 1 . 1 45 45 GLN CA C 13 55.2 0.3 . 1 . . . . . 45 GLN CA . 26612 1 203 . 1 . 1 45 45 GLN CB C 13 29.1 0.3 . 1 . . . . . 45 GLN CB . 26612 1 204 . 1 . 1 45 45 GLN N N 15 122.6 0.3 . 1 . . . . . 45 GLN N . 26612 1 205 . 1 . 1 46 46 VAL H H 1 8.13 0.02 . 1 . . . . . 46 VAL H . 26612 1 206 . 1 . 1 46 46 VAL C C 13 175.5 0.3 . 1 . . . . . 46 VAL C . 26612 1 207 . 1 . 1 46 46 VAL CA C 13 61.9 0.3 . 1 . . . . . 46 VAL CA . 26612 1 208 . 1 . 1 46 46 VAL CB C 13 32.2 0.3 . 1 . . . . . 46 VAL CB . 26612 1 209 . 1 . 1 46 46 VAL N N 15 121.6 0.3 . 1 . . . . . 46 VAL N . 26612 1 210 . 1 . 1 47 47 ASN H H 1 8.52 0.02 . 1 . . . . . 47 ASN H . 26612 1 211 . 1 . 1 47 47 ASN CA C 13 50.8 0.3 . 1 . . . . . 47 ASN CA . 26612 1 212 . 1 . 1 47 47 ASN CB C 13 38.3 0.3 . 1 . . . . . 47 ASN CB . 26612 1 213 . 1 . 1 47 47 ASN N N 15 123.0 0.3 . 1 . . . . . 47 ASN N . 26612 1 214 . 1 . 1 48 48 PRO C C 13 176.3 0.3 . 1 . . . . . 48 PRO C . 26612 1 215 . 1 . 1 48 48 PRO CA C 13 63.0 0.3 . 1 . . . . . 48 PRO CA . 26612 1 216 . 1 . 1 48 48 PRO CB C 13 31.3 0.3 . 1 . . . . . 48 PRO CB . 26612 1 217 . 1 . 1 49 49 TYR H H 1 8.10 0.02 . 1 . . . . . 49 TYR H . 26612 1 218 . 1 . 1 49 49 TYR C C 13 175.7 0.3 . 1 . . . . . 49 TYR C . 26612 1 219 . 1 . 1 49 49 TYR CA C 13 57.8 0.3 . 1 . . . . . 49 TYR CA . 26612 1 220 . 1 . 1 49 49 TYR CB C 13 37.8 0.3 . 1 . . . . . 49 TYR CB . 26612 1 221 . 1 . 1 49 49 TYR N N 15 119.8 0.3 . 1 . . . . . 49 TYR N . 26612 1 222 . 1 . 1 50 50 VAL H H 1 7.81 0.02 . 1 . . . . . 50 VAL H . 26612 1 223 . 1 . 1 50 50 VAL C C 13 175.9 0.3 . 1 . . . . . 50 VAL C . 26612 1 224 . 1 . 1 50 50 VAL CA C 13 61.8 0.3 . 1 . . . . . 50 VAL CA . 26612 1 225 . 1 . 1 50 50 VAL CB C 13 32.2 0.3 . 1 . . . . . 50 VAL CB . 26612 1 226 . 1 . 1 50 50 VAL N N 15 121.9 0.3 . 1 . . . . . 50 VAL N . 26612 1 227 . 1 . 1 51 51 GLY H H 1 7.92 0.02 . 1 . . . . . 51 GLY H . 26612 1 228 . 1 . 1 51 51 GLY C C 13 173.5 0.3 . 1 . . . . . 51 GLY C . 26612 1 229 . 1 . 1 51 51 GLY CA C 13 44.8 0.3 . 1 . . . . . 51 GLY CA . 26612 1 230 . 1 . 1 51 51 GLY N N 15 111.3 0.3 . 1 . . . . . 51 GLY N . 26612 1 231 . 1 . 1 52 52 PHE H H 1 8.02 0.02 . 1 . . . . . 52 PHE H . 26612 1 232 . 1 . 1 52 52 PHE C C 13 175.7 0.3 . 1 . . . . . 52 PHE C . 26612 1 233 . 1 . 1 52 52 PHE CA C 13 57.5 0.3 . 1 . . . . . 52 PHE CA . 26612 1 234 . 1 . 1 52 52 PHE CB C 13 39.1 0.3 . 1 . . . . . 52 PHE CB . 26612 1 235 . 1 . 1 52 52 PHE N N 15 119.7 0.3 . 1 . . . . . 52 PHE N . 26612 1 236 . 1 . 1 53 53 GLU H H 1 8.51 0.02 . 1 . . . . . 53 GLU H . 26612 1 237 . 1 . 1 53 53 GLU C C 13 176.2 0.3 . 1 . . . . . 53 GLU C . 26612 1 238 . 1 . 1 53 53 GLU CA C 13 56.3 0.3 . 1 . . . . . 53 GLU CA . 26612 1 239 . 1 . 1 53 53 GLU CB C 13 29.3 0.3 . 1 . . . . . 53 GLU CB . 26612 1 240 . 1 . 1 53 53 GLU N N 15 122.4 0.3 . 1 . . . . . 53 GLU N . 26612 1 241 . 1 . 1 54 54 MET H H 1 8.28 0.02 . 1 . . . . . 54 MET H . 26612 1 242 . 1 . 1 54 54 MET C C 13 176.6 0.3 . 1 . . . . . 54 MET C . 26612 1 243 . 1 . 1 54 54 MET CA C 13 55.3 0.3 . 1 . . . . . 54 MET CA . 26612 1 244 . 1 . 1 54 54 MET CB C 13 32.1 0.3 . 1 . . . . . 54 MET CB . 26612 1 245 . 1 . 1 54 54 MET N N 15 120.9 0.3 . 1 . . . . . 54 MET N . 26612 1 246 . 1 . 1 55 55 GLY H H 1 8.27 0.02 . 1 . . . . . 55 GLY H . 26612 1 247 . 1 . 1 55 55 GLY C C 13 173.5 0.3 . 1 . . . . . 55 GLY C . 26612 1 248 . 1 . 1 55 55 GLY CA C 13 44.8 0.3 . 1 . . . . . 55 GLY CA . 26612 1 249 . 1 . 1 55 55 GLY N N 15 109.2 0.3 . 1 . . . . . 55 GLY N . 26612 1 250 . 1 . 1 56 56 TYR H H 1 8.05 0.02 . 1 . . . . . 56 TYR H . 26612 1 251 . 1 . 1 56 56 TYR C C 13 175.5 0.3 . 1 . . . . . 56 TYR C . 26612 1 252 . 1 . 1 56 56 TYR CA C 13 57.8 0.3 . 1 . . . . . 56 TYR CA . 26612 1 253 . 1 . 1 56 56 TYR CB C 13 38.3 0.3 . 1 . . . . . 56 TYR CB . 26612 1 254 . 1 . 1 56 56 TYR N N 15 119.8 0.3 . 1 . . . . . 56 TYR N . 26612 1 255 . 1 . 1 57 57 ASP H H 1 8.32 0.02 . 1 . . . . . 57 ASP H . 26612 1 256 . 1 . 1 57 57 ASP C C 13 176.2 0.3 . 1 . . . . . 57 ASP C . 26612 1 257 . 1 . 1 57 57 ASP CA C 13 53.7 0.3 . 1 . . . . . 57 ASP CA . 26612 1 258 . 1 . 1 57 57 ASP CB C 13 40.6 0.3 . 1 . . . . . 57 ASP CB . 26612 1 259 . 1 . 1 57 57 ASP N N 15 121.7 0.3 . 1 . . . . . 57 ASP N . 26612 1 260 . 1 . 1 58 58 TRP H H 1 7.95 0.02 . 1 . . . . . 58 TRP H . 26612 1 261 . 1 . 1 58 58 TRP C C 13 176.4 0.3 . 1 . . . . . 58 TRP C . 26612 1 262 . 1 . 1 58 58 TRP CA C 13 57.8 0.3 . 1 . . . . . 58 TRP CA . 26612 1 263 . 1 . 1 58 58 TRP CB C 13 28.7 0.3 . 1 . . . . . 58 TRP CB . 26612 1 264 . 1 . 1 58 58 TRP N N 15 121.6 0.3 . 1 . . . . . 58 TRP N . 26612 1 265 . 1 . 1 59 59 LEU H H 1 7.91 0.02 . 1 . . . . . 59 LEU H . 26612 1 266 . 1 . 1 59 59 LEU C C 13 177.7 0.3 . 1 . . . . . 59 LEU C . 26612 1 267 . 1 . 1 59 59 LEU CA C 13 55.1 0.3 . 1 . . . . . 59 LEU CA . 26612 1 268 . 1 . 1 59 59 LEU CB C 13 41.1 0.3 . 1 . . . . . 59 LEU CB . 26612 1 269 . 1 . 1 59 59 LEU N N 15 122.4 0.3 . 1 . . . . . 59 LEU N . 26612 1 270 . 1 . 1 60 60 GLY H H 1 7.76 0.02 . 1 . . . . . 60 GLY H . 26612 1 271 . 1 . 1 60 60 GLY C C 13 173.7 0.3 . 1 . . . . . 60 GLY C . 26612 1 272 . 1 . 1 60 60 GLY CA C 13 44.9 0.3 . 1 . . . . . 60 GLY CA . 26612 1 273 . 1 . 1 60 60 GLY N N 15 108.1 0.3 . 1 . . . . . 60 GLY N . 26612 1 274 . 1 . 1 61 61 ARG H H 1 8.00 0.02 . 1 . . . . . 61 ARG H . 26612 1 275 . 1 . 1 61 61 ARG C C 13 176.3 0.3 . 1 . . . . . 61 ARG C . 26612 1 276 . 1 . 1 61 61 ARG CA C 13 55.8 0.3 . 1 . . . . . 61 ARG CA . 26612 1 277 . 1 . 1 61 61 ARG CB C 13 30.1 0.3 . 1 . . . . . 61 ARG CB . 26612 1 278 . 1 . 1 61 61 ARG N N 15 119.8 0.3 . 1 . . . . . 61 ARG N . 26612 1 279 . 1 . 1 62 62 MET H H 1 8.43 0.02 . 1 . . . . . 62 MET H . 26612 1 280 . 1 . 1 62 62 MET CA C 13 53.0 0.3 . 1 . . . . . 62 MET CA . 26612 1 281 . 1 . 1 62 62 MET CB C 13 31.8 0.3 . 1 . . . . . 62 MET CB . 26612 1 282 . 1 . 1 62 62 MET N N 15 122.5 0.3 . 1 . . . . . 62 MET N . 26612 1 283 . 1 . 1 63 63 PRO C C 13 176.3 0.3 . 1 . . . . . 63 PRO C . 26612 1 284 . 1 . 1 63 63 PRO CA C 13 62.8 0.3 . 1 . . . . . 63 PRO CA . 26612 1 285 . 1 . 1 63 63 PRO CB C 13 31.3 0.3 . 1 . . . . . 63 PRO CB . 26612 1 286 . 1 . 1 64 64 TYR H H 1 8.25 0.02 . 1 . . . . . 64 TYR H . 26612 1 287 . 1 . 1 64 64 TYR C C 13 175.8 0.3 . 1 . . . . . 64 TYR C . 26612 1 288 . 1 . 1 64 64 TYR CA C 13 57.8 0.3 . 1 . . . . . 64 TYR CA . 26612 1 289 . 1 . 1 64 64 TYR CB C 13 38.2 0.3 . 1 . . . . . 64 TYR CB . 26612 1 290 . 1 . 1 64 64 TYR N N 15 121.4 0.3 . 1 . . . . . 64 TYR N . 26612 1 291 . 1 . 1 65 65 LYS H H 1 8.28 0.02 . 1 . . . . . 65 LYS H . 26612 1 292 . 1 . 1 65 65 LYS C C 13 176.2 0.3 . 1 . . . . . 65 LYS C . 26612 1 293 . 1 . 1 65 65 LYS CA C 13 55.9 0.3 . 1 . . . . . 65 LYS CA . 26612 1 294 . 1 . 1 65 65 LYS CB C 13 32.4 0.3 . 1 . . . . . 65 LYS CB . 26612 1 295 . 1 . 1 65 65 LYS N N 15 125.1 0.3 . 1 . . . . . 65 LYS N . 26612 1 296 . 1 . 1 66 66 GLY H H 1 7.62 0.02 . 1 . . . . . 66 GLY H . 26612 1 297 . 1 . 1 66 66 GLY C C 13 173.6 0.3 . 1 . . . . . 66 GLY C . 26612 1 298 . 1 . 1 66 66 GLY CA C 13 44.7 0.3 . 1 . . . . . 66 GLY CA . 26612 1 299 . 1 . 1 66 66 GLY N N 15 109.2 0.3 . 1 . . . . . 66 GLY N . 26612 1 300 . 1 . 1 67 67 SER H H 1 8.20 0.02 . 1 . . . . . 67 SER H . 26612 1 301 . 1 . 1 67 67 SER C C 13 174.8 0.3 . 1 . . . . . 67 SER C . 26612 1 302 . 1 . 1 67 67 SER CA C 13 58.0 0.3 . 1 . . . . . 67 SER CA . 26612 1 303 . 1 . 1 67 67 SER CB C 13 63.6 0.3 . 1 . . . . . 67 SER CB . 26612 1 304 . 1 . 1 67 67 SER N N 15 115.3 0.3 . 1 . . . . . 67 SER N . 26612 1 305 . 1 . 1 68 68 VAL H H 1 8.24 0.02 . 1 . . . . . 68 VAL H . 26612 1 306 . 1 . 1 68 68 VAL C C 13 176.2 0.3 . 1 . . . . . 68 VAL C . 26612 1 307 . 1 . 1 68 68 VAL CA C 13 62.0 0.3 . 1 . . . . . 68 VAL CA . 26612 1 308 . 1 . 1 68 68 VAL CB C 13 32.1 0.3 . 1 . . . . . 68 VAL CB . 26612 1 309 . 1 . 1 68 68 VAL N N 15 121.5 0.3 . 1 . . . . . 68 VAL N . 26612 1 310 . 1 . 1 69 69 GLU H H 1 8.45 0.02 . 1 . . . . . 69 GLU H . 26612 1 311 . 1 . 1 69 69 GLU C C 13 176.3 0.3 . 1 . . . . . 69 GLU C . 26612 1 312 . 1 . 1 69 69 GLU CA C 13 56.3 0.3 . 1 . . . . . 69 GLU CA . 26612 1 313 . 1 . 1 69 69 GLU CB C 13 29.6 0.3 . 1 . . . . . 69 GLU CB . 26612 1 314 . 1 . 1 69 69 GLU N N 15 123.9 0.3 . 1 . . . . . 69 GLU N . 26612 1 315 . 1 . 1 70 70 ASN H H 1 8.42 0.02 . 1 . . . . . 70 ASN H . 26612 1 316 . 1 . 1 70 70 ASN C C 13 175.8 0.3 . 1 . . . . . 70 ASN C . 26612 1 317 . 1 . 1 70 70 ASN CA C 13 53.2 0.3 . 1 . . . . . 70 ASN CA . 26612 1 318 . 1 . 1 70 70 ASN CB C 13 38.5 0.3 . 1 . . . . . 70 ASN CB . 26612 1 319 . 1 . 1 70 70 ASN N N 15 119.9 0.3 . 1 . . . . . 70 ASN N . 26612 1 320 . 1 . 1 71 71 GLY H H 1 8.35 0.02 . 1 . . . . . 71 GLY H . 26612 1 321 . 1 . 1 71 71 GLY C C 13 173.4 0.3 . 1 . . . . . 71 GLY C . 26612 1 322 . 1 . 1 71 71 GLY CA C 13 45.0 0.3 . 1 . . . . . 71 GLY CA . 26612 1 323 . 1 . 1 71 71 GLY N N 15 109.2 0.3 . 1 . . . . . 71 GLY N . 26612 1 324 . 1 . 1 72 72 ALA H H 1 8.01 0.02 . 1 . . . . . 72 ALA H . 26612 1 325 . 1 . 1 72 72 ALA C C 13 177.4 0.3 . 1 . . . . . 72 ALA C . 26612 1 326 . 1 . 1 72 72 ALA CA C 13 52.3 0.3 . 1 . . . . . 72 ALA CA . 26612 1 327 . 1 . 1 72 72 ALA CB C 13 18.6 0.3 . 1 . . . . . 72 ALA CB . 26612 1 328 . 1 . 1 72 72 ALA N N 15 123.1 0.3 . 1 . . . . . 72 ALA N . 26612 1 329 . 1 . 1 73 73 TYR H H 1 8.09 0.02 . 1 . . . . . 73 TYR H . 26612 1 330 . 1 . 1 73 73 TYR C C 13 175.5 0.3 . 1 . . . . . 73 TYR C . 26612 1 331 . 1 . 1 73 73 TYR CA C 13 57.8 0.3 . 1 . . . . . 73 TYR CA . 26612 1 332 . 1 . 1 73 73 TYR CB C 13 38.1 0.3 . 1 . . . . . 73 TYR CB . 26612 1 333 . 1 . 1 73 73 TYR N N 15 119.5 0.3 . 1 . . . . . 73 TYR N . 26612 1 334 . 1 . 1 74 74 LYS H H 1 8.10 0.02 . 1 . . . . . 74 LYS H . 26612 1 335 . 1 . 1 74 74 LYS C C 13 175.6 0.3 . 1 . . . . . 74 LYS C . 26612 1 336 . 1 . 1 74 74 LYS CA C 13 55.4 0.3 . 1 . . . . . 74 LYS CA . 26612 1 337 . 1 . 1 74 74 LYS CB C 13 32.5 0.3 . 1 . . . . . 74 LYS CB . 26612 1 338 . 1 . 1 74 74 LYS N N 15 124.4 0.3 . 1 . . . . . 74 LYS N . 26612 1 339 . 1 . 1 75 75 ALA H H 1 8.21 0.02 . 1 . . . . . 75 ALA H . 26612 1 340 . 1 . 1 75 75 ALA C C 13 177.5 0.3 . 1 . . . . . 75 ALA C . 26612 1 341 . 1 . 1 75 75 ALA CA C 13 52.2 0.3 . 1 . . . . . 75 ALA CA . 26612 1 342 . 1 . 1 75 75 ALA CB C 13 18.4 0.3 . 1 . . . . . 75 ALA CB . 26612 1 343 . 1 . 1 75 75 ALA N N 15 125.7 0.3 . 1 . . . . . 75 ALA N . 26612 1 344 . 1 . 1 76 76 GLN H H 1 8.37 0.02 . 1 . . . . . 76 GLN H . 26612 1 345 . 1 . 1 76 76 GLN C C 13 176.4 0.3 . 1 . . . . . 76 GLN C . 26612 1 346 . 1 . 1 76 76 GLN CA C 13 55.5 0.3 . 1 . . . . . 76 GLN CA . 26612 1 347 . 1 . 1 76 76 GLN CB C 13 29.2 0.3 . 1 . . . . . 76 GLN CB . 26612 1 348 . 1 . 1 76 76 GLN N N 15 119.6 0.3 . 1 . . . . . 76 GLN N . 26612 1 349 . 1 . 1 77 77 GLY H H 1 8.35 0.02 . 1 . . . . . 77 GLY H . 26612 1 350 . 1 . 1 77 77 GLY C C 13 173.9 0.3 . 1 . . . . . 77 GLY C . 26612 1 351 . 1 . 1 77 77 GLY CA C 13 44.8 0.3 . 1 . . . . . 77 GLY CA . 26612 1 352 . 1 . 1 77 77 GLY N N 15 109.9 0.3 . 1 . . . . . 77 GLY N . 26612 1 353 . 1 . 1 78 78 VAL H H 1 7.96 0.02 . 1 . . . . . 78 VAL H . 26612 1 354 . 1 . 1 78 78 VAL C C 13 176.0 0.3 . 1 . . . . . 78 VAL C . 26612 1 355 . 1 . 1 78 78 VAL CA C 13 61.8 0.3 . 1 . . . . . 78 VAL CA . 26612 1 356 . 1 . 1 78 78 VAL CB C 13 32.2 0.3 . 1 . . . . . 78 VAL CB . 26612 1 357 . 1 . 1 78 78 VAL N N 15 119.0 0.3 . 1 . . . . . 78 VAL N . 26612 1 358 . 1 . 1 79 79 GLN H H 1 8.49 0.02 . 1 . . . . . 79 GLN H . 26612 1 359 . 1 . 1 79 79 GLN C C 13 175.8 0.3 . 1 . . . . . 79 GLN C . 26612 1 360 . 1 . 1 79 79 GLN CA C 13 55.2 0.3 . 1 . . . . . 79 GLN CA . 26612 1 361 . 1 . 1 79 79 GLN CB C 13 28.8 0.3 . 1 . . . . . 79 GLN CB . 26612 1 362 . 1 . 1 79 79 GLN N N 15 124.2 0.3 . 1 . . . . . 79 GLN N . 26612 1 363 . 1 . 1 80 80 LEU H H 1 8.41 0.02 . 1 . . . . . 80 LEU H . 26612 1 364 . 1 . 1 80 80 LEU C C 13 177.5 0.3 . 1 . . . . . 80 LEU C . 26612 1 365 . 1 . 1 80 80 LEU CA C 13 54.9 0.3 . 1 . . . . . 80 LEU CA . 26612 1 366 . 1 . 1 80 80 LEU CB C 13 41.5 0.3 . 1 . . . . . 80 LEU CB . 26612 1 367 . 1 . 1 80 80 LEU N N 15 124.5 0.3 . 1 . . . . . 80 LEU N . 26612 1 368 . 1 . 1 81 81 THR H H 1 8.15 0.02 . 1 . . . . . 81 THR H . 26612 1 369 . 1 . 1 81 81 THR C C 13 174.2 0.3 . 1 . . . . . 81 THR C . 26612 1 370 . 1 . 1 81 81 THR CA C 13 61.4 0.3 . 1 . . . . . 81 THR CA . 26612 1 371 . 1 . 1 81 81 THR CB C 13 69.7 0.3 . 1 . . . . . 81 THR CB . 26612 1 372 . 1 . 1 81 81 THR N N 15 114.8 0.3 . 1 . . . . . 81 THR N . 26612 1 373 . 1 . 1 82 82 ALA H H 1 8.27 0.02 . 1 . . . . . 82 ALA H . 26612 1 374 . 1 . 1 82 82 ALA C C 13 177.7 0.3 . 1 . . . . . 82 ALA C . 26612 1 375 . 1 . 1 82 82 ALA CA C 13 52.1 0.3 . 1 . . . . . 82 ALA CA . 26612 1 376 . 1 . 1 82 82 ALA CB C 13 18.7 0.3 . 1 . . . . . 82 ALA CB . 26612 1 377 . 1 . 1 82 82 ALA N N 15 126.2 0.3 . 1 . . . . . 82 ALA N . 26612 1 378 . 1 . 1 83 83 LYS H H 1 8.30 0.02 . 1 . . . . . 83 LYS H . 26612 1 379 . 1 . 1 83 83 LYS C C 13 176.5 0.3 . 1 . . . . . 83 LYS C . 26612 1 380 . 1 . 1 83 83 LYS CA C 13 56.0 0.3 . 1 . . . . . 83 LYS CA . 26612 1 381 . 1 . 1 83 83 LYS CB C 13 32.2 0.3 . 1 . . . . . 83 LYS CB . 26612 1 382 . 1 . 1 83 83 LYS N N 15 121.2 0.3 . 1 . . . . . 83 LYS N . 26612 1 383 . 1 . 1 84 84 LEU H H 1 8.26 0.02 . 1 . . . . . 84 LEU H . 26612 1 384 . 1 . 1 84 84 LEU C C 13 177.7 0.3 . 1 . . . . . 84 LEU C . 26612 1 385 . 1 . 1 84 84 LEU CA C 13 54.8 0.3 . 1 . . . . . 84 LEU CA . 26612 1 386 . 1 . 1 84 84 LEU CB C 13 41.5 0.3 . 1 . . . . . 84 LEU CB . 26612 1 387 . 1 . 1 84 84 LEU N N 15 123.6 0.3 . 1 . . . . . 84 LEU N . 26612 1 388 . 1 . 1 85 85 GLY H H 1 8.33 0.02 . 1 . . . . . 85 GLY H . 26612 1 389 . 1 . 1 85 85 GLY C C 13 173.2 0.3 . 1 . . . . . 85 GLY C . 26612 1 390 . 1 . 1 85 85 GLY CA C 13 44.6 0.3 . 1 . . . . . 85 GLY CA . 26612 1 391 . 1 . 1 85 85 GLY N N 15 109.4 0.3 . 1 . . . . . 85 GLY N . 26612 1 392 . 1 . 1 86 86 TYR H H 1 7.98 0.02 . 1 . . . . . 86 TYR H . 26612 1 393 . 1 . 1 86 86 TYR CA C 13 55.6 0.3 . 1 . . . . . 86 TYR CA . 26612 1 394 . 1 . 1 86 86 TYR CB C 13 37.5 0.3 . 1 . . . . . 86 TYR CB . 26612 1 395 . 1 . 1 86 86 TYR N N 15 120.5 0.3 . 1 . . . . . 86 TYR N . 26612 1 396 . 1 . 1 87 87 PRO C C 13 176.6 0.3 . 1 . . . . . 87 PRO C . 26612 1 397 . 1 . 1 87 87 PRO CA C 13 62.8 0.3 . 1 . . . . . 87 PRO CA . 26612 1 398 . 1 . 1 87 87 PRO CB C 13 31.3 0.3 . 1 . . . . . 87 PRO CB . 26612 1 399 . 1 . 1 88 88 ILE H H 1 8.28 0.02 . 1 . . . . . 88 ILE H . 26612 1 400 . 1 . 1 88 88 ILE C C 13 176.6 0.3 . 1 . . . . . 88 ILE C . 26612 1 401 . 1 . 1 88 88 ILE CA C 13 61.1 0.3 . 1 . . . . . 88 ILE CA . 26612 1 402 . 1 . 1 88 88 ILE CB C 13 38.0 0.3 . 1 . . . . . 88 ILE CB . 26612 1 403 . 1 . 1 88 88 ILE N N 15 121.4 0.3 . 1 . . . . . 88 ILE N . 26612 1 404 . 1 . 1 89 89 THR H H 1 8.15 0.02 . 1 . . . . . 89 THR H . 26612 1 405 . 1 . 1 89 89 THR C C 13 174.1 0.3 . 1 . . . . . 89 THR C . 26612 1 406 . 1 . 1 89 89 THR CA C 13 61.0 0.3 . 1 . . . . . 89 THR CA . 26612 1 407 . 1 . 1 89 89 THR CB C 13 69.7 0.3 . 1 . . . . . 89 THR CB . 26612 1 408 . 1 . 1 89 89 THR N N 15 117.4 0.3 . 1 . . . . . 89 THR N . 26612 1 409 . 1 . 1 90 90 ASP H H 1 8.31 0.02 . 1 . . . . . 90 ASP H . 26612 1 410 . 1 . 1 90 90 ASP C C 13 175.8 0.3 . 1 . . . . . 90 ASP C . 26612 1 411 . 1 . 1 90 90 ASP CA C 13 54.2 0.3 . 1 . . . . . 90 ASP CA . 26612 1 412 . 1 . 1 90 90 ASP CB C 13 41.0 0.3 . 1 . . . . . 90 ASP CB . 26612 1 413 . 1 . 1 90 90 ASP N N 15 122.4 0.3 . 1 . . . . . 90 ASP N . 26612 1 414 . 1 . 1 91 91 ASP H H 1 8.30 0.02 . 1 . . . . . 91 ASP H . 26612 1 415 . 1 . 1 91 91 ASP C C 13 177.3 0.3 . 1 . . . . . 91 ASP C . 26612 1 416 . 1 . 1 91 91 ASP CA C 13 54.3 0.3 . 1 . . . . . 91 ASP CA . 26612 1 417 . 1 . 1 91 91 ASP CB C 13 40.7 0.3 . 1 . . . . . 91 ASP CB . 26612 1 418 . 1 . 1 91 91 ASP N N 15 120.4 0.3 . 1 . . . . . 91 ASP N . 26612 1 419 . 1 . 1 92 92 LEU H H 1 8.13 0.02 . 1 . . . . . 92 LEU H . 26612 1 420 . 1 . 1 92 92 LEU C C 13 177.3 0.3 . 1 . . . . . 92 LEU C . 26612 1 421 . 1 . 1 92 92 LEU CA C 13 55.1 0.3 . 1 . . . . . 92 LEU CA . 26612 1 422 . 1 . 1 92 92 LEU CB C 13 41.5 0.3 . 1 . . . . . 92 LEU CB . 26612 1 423 . 1 . 1 92 92 LEU N N 15 121.6 0.3 . 1 . . . . . 92 LEU N . 26612 1 424 . 1 . 1 93 93 ASP H H 1 8.30 0.02 . 1 . . . . . 93 ASP H . 26612 1 425 . 1 . 1 93 93 ASP C C 13 176.6 0.3 . 1 . . . . . 93 ASP C . 26612 1 426 . 1 . 1 93 93 ASP CA C 13 54.3 0.3 . 1 . . . . . 93 ASP CA . 26612 1 427 . 1 . 1 93 93 ASP CB C 13 40.7 0.3 . 1 . . . . . 93 ASP CB . 26612 1 428 . 1 . 1 93 93 ASP N N 15 120.7 0.3 . 1 . . . . . 93 ASP N . 26612 1 429 . 1 . 1 94 94 ILE H H 1 7.78 0.02 . 1 . . . . . 94 ILE H . 26612 1 430 . 1 . 1 94 94 ILE C C 13 176.1 0.3 . 1 . . . . . 94 ILE C . 26612 1 431 . 1 . 1 94 94 ILE CA C 13 61.7 0.3 . 1 . . . . . 94 ILE CA . 26612 1 432 . 1 . 1 94 94 ILE CB C 13 37.7 0.3 . 1 . . . . . 94 ILE CB . 26612 1 433 . 1 . 1 94 94 ILE N N 15 119.1 0.3 . 1 . . . . . 94 ILE N . 26612 1 434 . 1 . 1 95 95 TYR H H 1 8.06 0.02 . 1 . . . . . 95 TYR H . 26612 1 435 . 1 . 1 95 95 TYR C C 13 176.4 0.3 . 1 . . . . . 95 TYR C . 26612 1 436 . 1 . 1 95 95 TYR CA C 13 58.1 0.3 . 1 . . . . . 95 TYR CA . 26612 1 437 . 1 . 1 95 95 TYR CB C 13 37.9 0.3 . 1 . . . . . 95 TYR CB . 26612 1 438 . 1 . 1 95 95 TYR N N 15 121.6 0.3 . 1 . . . . . 95 TYR N . 26612 1 439 . 1 . 1 96 96 THR H H 1 7.98 0.02 . 1 . . . . . 96 THR H . 26612 1 440 . 1 . 1 96 96 THR C C 13 174.6 0.3 . 1 . . . . . 96 THR C . 26612 1 441 . 1 . 1 96 96 THR CA C 13 62.2 0.3 . 1 . . . . . 96 THR CA . 26612 1 442 . 1 . 1 96 96 THR CB C 13 69.5 0.3 . 1 . . . . . 96 THR CB . 26612 1 443 . 1 . 1 96 96 THR N N 15 115.4 0.3 . 1 . . . . . 96 THR N . 26612 1 444 . 1 . 1 97 97 ARG H H 1 8.22 0.02 . 1 . . . . . 97 ARG H . 26612 1 445 . 1 . 1 97 97 ARG C C 13 176.4 0.3 . 1 . . . . . 97 ARG C . 26612 1 446 . 1 . 1 97 97 ARG CA C 13 56.1 0.3 . 1 . . . . . 97 ARG CA . 26612 1 447 . 1 . 1 97 97 ARG CB C 13 30.0 0.3 . 1 . . . . . 97 ARG CB . 26612 1 448 . 1 . 1 97 97 ARG N N 15 123.3 0.3 . 1 . . . . . 97 ARG N . 26612 1 449 . 1 . 1 98 98 LEU H H 1 8.27 0.02 . 1 . . . . . 98 LEU H . 26612 1 450 . 1 . 1 98 98 LEU C C 13 176.6 0.3 . 1 . . . . . 98 LEU C . 26612 1 451 . 1 . 1 98 98 LEU CA C 13 54.9 0.3 . 1 . . . . . 98 LEU CA . 26612 1 452 . 1 . 1 98 98 LEU CB C 13 41.4 0.3 . 1 . . . . . 98 LEU CB . 26612 1 453 . 1 . 1 98 98 LEU N N 15 122.8 0.3 . 1 . . . . . 98 LEU N . 26612 1 454 . 1 . 1 99 99 GLY H H 1 8.32 0.02 . 1 . . . . . 99 GLY H . 26612 1 455 . 1 . 1 99 99 GLY C C 13 174.3 0.3 . 1 . . . . . 99 GLY C . 26612 1 456 . 1 . 1 99 99 GLY CA C 13 44.8 0.3 . 1 . . . . . 99 GLY CA . 26612 1 457 . 1 . 1 99 99 GLY N N 15 109.4 0.3 . 1 . . . . . 99 GLY N . 26612 1 458 . 1 . 1 100 100 GLY H H 1 8.18 0.02 . 1 . . . . . 100 GLY H . 26612 1 459 . 1 . 1 100 100 GLY C C 13 173.9 0.3 . 1 . . . . . 100 GLY C . 26612 1 460 . 1 . 1 100 100 GLY CA C 13 44.8 0.3 . 1 . . . . . 100 GLY CA . 26612 1 461 . 1 . 1 100 100 GLY N N 15 108.5 0.3 . 1 . . . . . 100 GLY N . 26612 1 462 . 1 . 1 101 101 MET H H 1 8.20 0.02 . 1 . . . . . 101 MET H . 26612 1 463 . 1 . 1 101 101 MET C C 13 176.0 0.3 . 1 . . . . . 101 MET C . 26612 1 464 . 1 . 1 101 101 MET CA C 13 55.2 0.3 . 1 . . . . . 101 MET CA . 26612 1 465 . 1 . 1 101 101 MET CB C 13 32.4 0.3 . 1 . . . . . 101 MET CB . 26612 1 466 . 1 . 1 101 101 MET N N 15 119.9 0.3 . 1 . . . . . 101 MET N . 26612 1 467 . 1 . 1 102 102 VAL H H 1 8.14 0.02 . 1 . . . . . 102 VAL H . 26612 1 468 . 1 . 1 102 102 VAL C C 13 175.6 0.3 . 1 . . . . . 102 VAL C . 26612 1 469 . 1 . 1 102 102 VAL CA C 13 61.8 0.3 . 1 . . . . . 102 VAL CA . 26612 1 470 . 1 . 1 102 102 VAL CB C 13 32.3 0.3 . 1 . . . . . 102 VAL CB . 26612 1 471 . 1 . 1 102 102 VAL N N 15 121.8 0.3 . 1 . . . . . 102 VAL N . 26612 1 472 . 1 . 1 103 103 TRP H H 1 8.37 0.02 . 1 . . . . . 103 TRP H . 26612 1 473 . 1 . 1 103 103 TRP C C 13 175.7 0.3 . 1 . . . . . 103 TRP C . 26612 1 474 . 1 . 1 103 103 TRP CA C 13 57.1 0.3 . 1 . . . . . 103 TRP CA . 26612 1 475 . 1 . 1 103 103 TRP CB C 13 29.2 0.3 . 1 . . . . . 103 TRP CB . 26612 1 476 . 1 . 1 103 103 TRP N N 15 125.9 0.3 . 1 . . . . . 103 TRP N . 26612 1 477 . 1 . 1 104 104 ARG H H 1 8.12 0.02 . 1 . . . . . 104 ARG H . 26612 1 478 . 1 . 1 104 104 ARG C C 13 175.3 0.3 . 1 . . . . . 104 ARG C . 26612 1 479 . 1 . 1 104 104 ARG CA C 13 55.2 0.3 . 1 . . . . . 104 ARG CA . 26612 1 480 . 1 . 1 104 104 ARG CB C 13 30.6 0.3 . 1 . . . . . 104 ARG CB . 26612 1 481 . 1 . 1 104 104 ARG N N 15 124.0 0.3 . 1 . . . . . 104 ARG N . 26612 1 482 . 1 . 1 105 105 ALA H H 1 8.16 0.02 . 1 . . . . . 105 ALA H . 26612 1 483 . 1 . 1 105 105 ALA C C 13 177.3 0.3 . 1 . . . . . 105 ALA C . 26612 1 484 . 1 . 1 105 105 ALA CA C 13 52.1 0.3 . 1 . . . . . 105 ALA CA . 26612 1 485 . 1 . 1 105 105 ALA CB C 13 18.6 0.3 . 1 . . . . . 105 ALA CB . 26612 1 486 . 1 . 1 105 105 ALA N N 15 125.1 0.3 . 1 . . . . . 105 ALA N . 26612 1 487 . 1 . 1 106 106 ASP H H 1 8.35 0.02 . 1 . . . . . 106 ASP H . 26612 1 488 . 1 . 1 106 106 ASP C C 13 175.7 0.3 . 1 . . . . . 106 ASP C . 26612 1 489 . 1 . 1 106 106 ASP CA C 13 53.8 0.3 . 1 . . . . . 106 ASP CA . 26612 1 490 . 1 . 1 106 106 ASP CB C 13 40.7 0.3 . 1 . . . . . 106 ASP CB . 26612 1 491 . 1 . 1 106 106 ASP N N 15 119.4 0.3 . 1 . . . . . 106 ASP N . 26612 1 492 . 1 . 1 107 107 THR H H 1 8.05 0.02 . 1 . . . . . 107 THR H . 26612 1 493 . 1 . 1 107 107 THR C C 13 174.8 0.3 . 1 . . . . . 107 THR C . 26612 1 494 . 1 . 1 107 107 THR CA C 13 61.7 0.3 . 1 . . . . . 107 THR CA . 26612 1 495 . 1 . 1 107 107 THR CB C 13 69.5 0.3 . 1 . . . . . 107 THR CB . 26612 1 496 . 1 . 1 107 107 THR N N 15 114.3 0.3 . 1 . . . . . 107 THR N . 26612 1 497 . 1 . 1 108 108 LYS H H 1 8.33 0.02 . 1 . . . . . 108 LYS H . 26612 1 498 . 1 . 1 108 108 LYS C C 13 176.6 0.3 . 1 . . . . . 108 LYS C . 26612 1 499 . 1 . 1 108 108 LYS CA C 13 56.3 0.3 . 1 . . . . . 108 LYS CA . 26612 1 500 . 1 . 1 108 108 LYS CB C 13 32.1 0.3 . 1 . . . . . 108 LYS CB . 26612 1 501 . 1 . 1 108 108 LYS N N 15 123.1 0.3 . 1 . . . . . 108 LYS N . 26612 1 502 . 1 . 1 109 109 SER H H 1 8.26 0.02 . 1 . . . . . 109 SER H . 26612 1 503 . 1 . 1 109 109 SER C C 13 174.3 0.3 . 1 . . . . . 109 SER C . 26612 1 504 . 1 . 1 109 109 SER CA C 13 58.1 0.3 . 1 . . . . . 109 SER CA . 26612 1 505 . 1 . 1 109 109 SER CB C 13 63.5 0.3 . 1 . . . . . 109 SER CB . 26612 1 506 . 1 . 1 109 109 SER N N 15 116.2 0.3 . 1 . . . . . 109 SER N . 26612 1 507 . 1 . 1 110 110 ASN H H 1 8.48 0.02 . 1 . . . . . 110 ASN H . 26612 1 508 . 1 . 1 110 110 ASN C C 13 175.1 0.3 . 1 . . . . . 110 ASN C . 26612 1 509 . 1 . 1 110 110 ASN CA C 13 53.0 0.3 . 1 . . . . . 110 ASN CA . 26612 1 510 . 1 . 1 110 110 ASN CB C 13 38.4 0.3 . 1 . . . . . 110 ASN CB . 26612 1 511 . 1 . 1 110 110 ASN N N 15 121.1 0.3 . 1 . . . . . 110 ASN N . 26612 1 512 . 1 . 1 111 111 VAL H H 1 7.97 0.02 . 1 . . . . . 111 VAL H . 26612 1 513 . 1 . 1 111 111 VAL C C 13 175.8 0.3 . 1 . . . . . 111 VAL C . 26612 1 514 . 1 . 1 111 111 VAL CA C 13 62.2 0.3 . 1 . . . . . 111 VAL CA . 26612 1 515 . 1 . 1 111 111 VAL CB C 13 32.0 0.3 . 1 . . . . . 111 VAL CB . 26612 1 516 . 1 . 1 111 111 VAL N N 15 119.6 0.3 . 1 . . . . . 111 VAL N . 26612 1 517 . 1 . 1 112 112 TYR H H 1 8.18 0.02 . 1 . . . . . 112 TYR H . 26612 1 518 . 1 . 1 112 112 TYR C C 13 176.4 0.3 . 1 . . . . . 112 TYR C . 26612 1 519 . 1 . 1 112 112 TYR CA C 13 57.7 0.3 . 1 . . . . . 112 TYR CA . 26612 1 520 . 1 . 1 112 112 TYR CB C 13 38.3 0.3 . 1 . . . . . 112 TYR CB . 26612 1 521 . 1 . 1 112 112 TYR N N 15 122.8 0.3 . 1 . . . . . 112 TYR N . 26612 1 522 . 1 . 1 113 113 GLY H H 1 8.20 0.02 . 1 . . . . . 113 GLY H . 26612 1 523 . 1 . 1 113 113 GLY C C 13 173.2 0.3 . 1 . . . . . 113 GLY C . 26612 1 524 . 1 . 1 113 113 GLY CA C 13 44.8 0.3 . 1 . . . . . 113 GLY CA . 26612 1 525 . 1 . 1 113 113 GLY N N 15 110.0 0.3 . 1 . . . . . 113 GLY N . 26612 1 526 . 1 . 1 114 114 LYS H H 1 8.12 0.02 . 1 . . . . . 114 LYS H . 26612 1 527 . 1 . 1 114 114 LYS CA C 13 56.1 0.3 . 1 . . . . . 114 LYS CA . 26612 1 528 . 1 . 1 114 114 LYS CB C 13 32.4 0.3 . 1 . . . . . 114 LYS CB . 26612 1 529 . 1 . 1 114 114 LYS N N 15 120.5 0.3 . 1 . . . . . 114 LYS N . 26612 1 530 . 1 . 1 115 115 ASN H H 1 8.49 0.02 . 1 . . . . . 115 ASN H . 26612 1 531 . 1 . 1 115 115 ASN CA C 13 53.1 0.3 . 1 . . . . . 115 ASN CA . 26612 1 532 . 1 . 1 115 115 ASN CB C 13 38.3 0.3 . 1 . . . . . 115 ASN CB . 26612 1 533 . 1 . 1 115 115 ASN N N 15 119.4 0.3 . 1 . . . . . 115 ASN N . 26612 1 534 . 1 . 1 116 116 HIS H H 1 8.44 0.02 . 1 . . . . . 116 HIS H . 26612 1 535 . 1 . 1 116 116 HIS C C 13 174.3 0.3 . 1 . . . . . 116 HIS C . 26612 1 536 . 1 . 1 116 116 HIS CA C 13 55.5 0.3 . 1 . . . . . 116 HIS CA . 26612 1 537 . 1 . 1 116 116 HIS CB C 13 29.1 0.3 . 1 . . . . . 116 HIS CB . 26612 1 538 . 1 . 1 116 116 HIS N N 15 119.4 0.3 . 1 . . . . . 116 HIS N . 26612 1 539 . 1 . 1 117 117 ASP H H 1 8.42 0.02 . 1 . . . . . 117 ASP H . 26612 1 540 . 1 . 1 117 117 ASP C C 13 176.5 0.3 . 1 . . . . . 117 ASP C . 26612 1 541 . 1 . 1 117 117 ASP CA C 13 54.3 0.3 . 1 . . . . . 117 ASP CA . 26612 1 542 . 1 . 1 117 117 ASP CB C 13 40.8 0.3 . 1 . . . . . 117 ASP CB . 26612 1 543 . 1 . 1 117 117 ASP N N 15 121.7 0.3 . 1 . . . . . 117 ASP N . 26612 1 544 . 1 . 1 118 118 THR H H 1 8.17 0.02 . 1 . . . . . 118 THR H . 26612 1 545 . 1 . 1 118 118 THR C C 13 175.3 0.3 . 1 . . . . . 118 THR C . 26612 1 546 . 1 . 1 118 118 THR CA C 13 61.7 0.3 . 1 . . . . . 118 THR CA . 26612 1 547 . 1 . 1 118 118 THR CB C 13 69.5 0.3 . 1 . . . . . 118 THR CB . 26612 1 548 . 1 . 1 118 118 THR N N 15 113.9 0.3 . 1 . . . . . 118 THR N . 26612 1 549 . 1 . 1 119 119 GLY H H 1 8.38 0.02 . 1 . . . . . 119 GLY H . 26612 1 550 . 1 . 1 119 119 GLY C C 13 173.9 0.3 . 1 . . . . . 119 GLY C . 26612 1 551 . 1 . 1 119 119 GLY CA C 13 44.9 0.3 . 1 . . . . . 119 GLY CA . 26612 1 552 . 1 . 1 119 119 GLY N N 15 110.4 0.3 . 1 . . . . . 119 GLY N . 26612 1 553 . 1 . 1 120 120 VAL H H 1 7.87 0.02 . 1 . . . . . 120 VAL H . 26612 1 554 . 1 . 1 120 120 VAL C C 13 176.1 0.3 . 1 . . . . . 120 VAL C . 26612 1 555 . 1 . 1 120 120 VAL CA C 13 61.5 0.3 . 1 . . . . . 120 VAL CA . 26612 1 556 . 1 . 1 120 120 VAL CB C 13 32.2 0.3 . 1 . . . . . 120 VAL CB . 26612 1 557 . 1 . 1 120 120 VAL N N 15 118.6 0.3 . 1 . . . . . 120 VAL N . 26612 1 558 . 1 . 1 121 121 SER H H 1 8.42 0.02 . 1 . . . . . 121 SER H . 26612 1 559 . 1 . 1 121 121 SER CA C 13 56.3 0.3 . 1 . . . . . 121 SER CA . 26612 1 560 . 1 . 1 121 121 SER CB C 13 62.9 0.3 . 1 . . . . . 121 SER CB . 26612 1 561 . 1 . 1 121 121 SER N N 15 121.0 0.3 . 1 . . . . . 121 SER N . 26612 1 562 . 1 . 1 122 122 PRO C C 13 176.5 0.3 . 1 . . . . . 122 PRO C . 26612 1 563 . 1 . 1 122 122 PRO CA C 13 63.0 0.3 . 1 . . . . . 122 PRO CA . 26612 1 564 . 1 . 1 122 122 PRO CB C 13 31.3 0.3 . 1 . . . . . 122 PRO CB . 26612 1 565 . 1 . 1 123 123 VAL H H 1 8.03 0.02 . 1 . . . . . 123 VAL H . 26612 1 566 . 1 . 1 123 123 VAL C C 13 175.9 0.3 . 1 . . . . . 123 VAL C . 26612 1 567 . 1 . 1 123 123 VAL CA C 13 61.9 0.3 . 1 . . . . . 123 VAL CA . 26612 1 568 . 1 . 1 123 123 VAL CB C 13 32.1 0.3 . 1 . . . . . 123 VAL CB . 26612 1 569 . 1 . 1 123 123 VAL N N 15 119.7 0.3 . 1 . . . . . 123 VAL N . 26612 1 570 . 1 . 1 124 124 PHE H H 1 8.28 0.02 . 1 . . . . . 124 PHE H . 26612 1 571 . 1 . 1 124 124 PHE C C 13 175.4 0.3 . 1 . . . . . 124 PHE C . 26612 1 572 . 1 . 1 124 124 PHE CA C 13 57.1 0.3 . 1 . . . . . 124 PHE CA . 26612 1 573 . 1 . 1 124 124 PHE CB C 13 39.0 0.3 . 1 . . . . . 124 PHE CB . 26612 1 574 . 1 . 1 124 124 PHE N N 15 124.0 0.3 . 1 . . . . . 124 PHE N . 26612 1 575 . 1 . 1 125 125 ALA H H 1 8.32 0.02 . 1 . . . . . 125 ALA H . 26612 1 576 . 1 . 1 125 125 ALA C C 13 177.6 0.3 . 1 . . . . . 125 ALA C . 26612 1 577 . 1 . 1 125 125 ALA CA C 13 52.1 0.3 . 1 . . . . . 125 ALA CA . 26612 1 578 . 1 . 1 125 125 ALA CB C 13 18.6 0.3 . 1 . . . . . 125 ALA CB . 26612 1 579 . 1 . 1 125 125 ALA N N 15 126.7 0.3 . 1 . . . . . 125 ALA N . 26612 1 580 . 1 . 1 126 126 GLY H H 1 7.72 0.02 . 1 . . . . . 126 GLY H . 26612 1 581 . 1 . 1 126 126 GLY C C 13 174.3 0.3 . 1 . . . . . 126 GLY C . 26612 1 582 . 1 . 1 126 126 GLY CA C 13 45.0 0.3 . 1 . . . . . 126 GLY CA . 26612 1 583 . 1 . 1 126 126 GLY N N 15 107.4 0.3 . 1 . . . . . 126 GLY N . 26612 1 584 . 1 . 1 127 127 GLY H H 1 8.18 0.02 . 1 . . . . . 127 GLY H . 26612 1 585 . 1 . 1 127 127 GLY C C 13 173.8 0.3 . 1 . . . . . 127 GLY C . 26612 1 586 . 1 . 1 127 127 GLY CA C 13 44.8 0.3 . 1 . . . . . 127 GLY CA . 26612 1 587 . 1 . 1 127 127 GLY N N 15 108.1 0.3 . 1 . . . . . 127 GLY N . 26612 1 588 . 1 . 1 128 128 VAL H H 1 8.00 0.02 . 1 . . . . . 128 VAL H . 26612 1 589 . 1 . 1 128 128 VAL C C 13 175.9 0.3 . 1 . . . . . 128 VAL C . 26612 1 590 . 1 . 1 128 128 VAL CA C 13 61.8 0.3 . 1 . . . . . 128 VAL CA . 26612 1 591 . 1 . 1 128 128 VAL CB C 13 32.1 0.3 . 1 . . . . . 128 VAL CB . 26612 1 592 . 1 . 1 128 128 VAL N N 15 119.2 0.3 . 1 . . . . . 128 VAL N . 26612 1 593 . 1 . 1 129 129 GLU H H 1 8.44 0.02 . 1 . . . . . 129 GLU H . 26612 1 594 . 1 . 1 129 129 GLU C C 13 175.9 0.3 . 1 . . . . . 129 GLU C . 26612 1 595 . 1 . 1 129 129 GLU CA C 13 56.1 0.3 . 1 . . . . . 129 GLU CA . 26612 1 596 . 1 . 1 129 129 GLU CB C 13 29.5 0.3 . 1 . . . . . 129 GLU CB . 26612 1 597 . 1 . 1 129 129 GLU N N 15 124.1 0.3 . 1 . . . . . 129 GLU N . 26612 1 598 . 1 . 1 130 130 TYR H H 1 8.08 0.02 . 1 . . . . . 130 TYR H . 26612 1 599 . 1 . 1 130 130 TYR C C 13 175.2 0.3 . 1 . . . . . 130 TYR C . 26612 1 600 . 1 . 1 130 130 TYR CA C 13 57.3 0.3 . 1 . . . . . 130 TYR CA . 26612 1 601 . 1 . 1 130 130 TYR CB C 13 38.3 0.3 . 1 . . . . . 130 TYR CB . 26612 1 602 . 1 . 1 130 130 TYR N N 15 121.2 0.3 . 1 . . . . . 130 TYR N . 26612 1 603 . 1 . 1 131 131 ALA H H 1 8.25 0.02 . 1 . . . . . 131 ALA H . 26612 1 604 . 1 . 1 131 131 ALA C C 13 177.2 0.3 . 1 . . . . . 131 ALA C . 26612 1 605 . 1 . 1 131 131 ALA CA C 13 51.9 0.3 . 1 . . . . . 131 ALA CA . 26612 1 606 . 1 . 1 131 131 ALA CB C 13 18.7 0.3 . 1 . . . . . 131 ALA CB . 26612 1 607 . 1 . 1 131 131 ALA N N 15 125.3 0.3 . 1 . . . . . 131 ALA N . 26612 1 608 . 1 . 1 132 132 ILE H H 1 8.13 0.02 . 1 . . . . . 132 ILE H . 26612 1 609 . 1 . 1 132 132 ILE C C 13 176.2 0.3 . 1 . . . . . 132 ILE C . 26612 1 610 . 1 . 1 132 132 ILE CA C 13 60.7 0.3 . 1 . . . . . 132 ILE CA . 26612 1 611 . 1 . 1 132 132 ILE CB C 13 38.1 0.3 . 1 . . . . . 132 ILE CB . 26612 1 612 . 1 . 1 132 132 ILE N N 15 120.4 0.3 . 1 . . . . . 132 ILE N . 26612 1 613 . 1 . 1 133 133 THR H H 1 8.20 0.02 . 1 . . . . . 133 THR H . 26612 1 614 . 1 . 1 133 133 THR CA C 13 59.6 0.3 . 1 . . . . . 133 THR CA . 26612 1 615 . 1 . 1 133 133 THR CB C 13 69.3 0.3 . 1 . . . . . 133 THR CB . 26612 1 616 . 1 . 1 133 133 THR N N 15 120.4 0.3 . 1 . . . . . 133 THR N . 26612 1 617 . 1 . 1 134 134 PRO C C 13 176.7 0.3 . 1 . . . . . 134 PRO C . 26612 1 618 . 1 . 1 134 134 PRO CA C 13 63.0 0.3 . 1 . . . . . 134 PRO CA . 26612 1 619 . 1 . 1 134 134 PRO CB C 13 31.4 0.3 . 1 . . . . . 134 PRO CB . 26612 1 620 . 1 . 1 135 135 GLU H H 1 8.46 0.02 . 1 . . . . . 135 GLU H . 26612 1 621 . 1 . 1 135 135 GLU C C 13 176.6 0.3 . 1 . . . . . 135 GLU C . 26612 1 622 . 1 . 1 135 135 GLU CA C 13 56.5 0.3 . 1 . . . . . 135 GLU CA . 26612 1 623 . 1 . 1 135 135 GLU CB C 13 29.3 0.3 . 1 . . . . . 135 GLU CB . 26612 1 624 . 1 . 1 135 135 GLU N N 15 121.0 0.3 . 1 . . . . . 135 GLU N . 26612 1 625 . 1 . 1 136 136 ILE H H 1 8.12 0.02 . 1 . . . . . 136 ILE H . 26612 1 626 . 1 . 1 136 136 ILE C C 13 175.9 0.3 . 1 . . . . . 136 ILE C . 26612 1 627 . 1 . 1 136 136 ILE CA C 13 60.9 0.3 . 1 . . . . . 136 ILE CA . 26612 1 628 . 1 . 1 136 136 ILE CB C 13 37.9 0.3 . 1 . . . . . 136 ILE CB . 26612 1 629 . 1 . 1 136 136 ILE N N 15 121.7 0.3 . 1 . . . . . 136 ILE N . 26612 1 630 . 1 . 1 137 137 ALA H H 1 8.32 0.02 . 1 . . . . . 137 ALA H . 26612 1 631 . 1 . 1 137 137 ALA C C 13 177.8 0.3 . 1 . . . . . 137 ALA C . 26612 1 632 . 1 . 1 137 137 ALA CA C 13 52.3 0.3 . 1 . . . . . 137 ALA CA . 26612 1 633 . 1 . 1 137 137 ALA CB C 13 18.6 0.3 . 1 . . . . . 137 ALA CB . 26612 1 634 . 1 . 1 137 137 ALA N N 15 127.6 0.3 . 1 . . . . . 137 ALA N . 26612 1 635 . 1 . 1 138 138 THR H H 1 8.09 0.02 . 1 . . . . . 138 THR H . 26612 1 636 . 1 . 1 138 138 THR C C 13 174.4 0.3 . 1 . . . . . 138 THR C . 26612 1 637 . 1 . 1 138 138 THR CA C 13 61.7 0.3 . 1 . . . . . 138 THR CA . 26612 1 638 . 1 . 1 138 138 THR CB C 13 69.7 0.3 . 1 . . . . . 138 THR CB . 26612 1 639 . 1 . 1 138 138 THR N N 15 114.0 0.3 . 1 . . . . . 138 THR N . 26612 1 640 . 1 . 1 139 139 ARG H H 1 8.31 0.02 . 1 . . . . . 139 ARG H . 26612 1 641 . 1 . 1 139 139 ARG C C 13 176.0 0.3 . 1 . . . . . 139 ARG C . 26612 1 642 . 1 . 1 139 139 ARG CA C 13 55.8 0.3 . 1 . . . . . 139 ARG CA . 26612 1 643 . 1 . 1 139 139 ARG CB C 13 30.2 0.3 . 1 . . . . . 139 ARG CB . 26612 1 644 . 1 . 1 139 139 ARG N N 15 123.5 0.3 . 1 . . . . . 139 ARG N . 26612 1 645 . 1 . 1 140 140 LEU H H 1 8.34 0.02 . 1 . . . . . 140 LEU H . 26612 1 646 . 1 . 1 140 140 LEU C C 13 177.1 0.3 . 1 . . . . . 140 LEU C . 26612 1 647 . 1 . 1 140 140 LEU CA C 13 54.9 0.3 . 1 . . . . . 140 LEU CA . 26612 1 648 . 1 . 1 140 140 LEU CB C 13 41.4 0.3 . 1 . . . . . 140 LEU CB . 26612 1 649 . 1 . 1 140 140 LEU N N 15 124.2 0.3 . 1 . . . . . 140 LEU N . 26612 1 650 . 1 . 1 141 141 GLU H H 1 8.44 0.02 . 1 . . . . . 141 GLU H . 26612 1 651 . 1 . 1 141 141 GLU C C 13 176.1 0.3 . 1 . . . . . 141 GLU C . 26612 1 652 . 1 . 1 141 141 GLU CA C 13 56.1 0.3 . 1 . . . . . 141 GLU CA . 26612 1 653 . 1 . 1 141 141 GLU CB C 13 29.6 0.3 . 1 . . . . . 141 GLU CB . 26612 1 654 . 1 . 1 141 141 GLU N N 15 121.6 0.3 . 1 . . . . . 141 GLU N . 26612 1 655 . 1 . 1 142 142 TYR H H 1 8.17 0.02 . 1 . . . . . 142 TYR H . 26612 1 656 . 1 . 1 142 142 TYR C C 13 175.5 0.3 . 1 . . . . . 142 TYR C . 26612 1 657 . 1 . 1 142 142 TYR CA C 13 57.7 0.3 . 1 . . . . . 142 TYR CA . 26612 1 658 . 1 . 1 142 142 TYR CB C 13 38.2 0.3 . 1 . . . . . 142 TYR CB . 26612 1 659 . 1 . 1 142 142 TYR N N 15 121.2 0.3 . 1 . . . . . 142 TYR N . 26612 1 660 . 1 . 1 143 143 GLN H H 1 8.19 0.02 . 1 . . . . . 143 GLN H . 26612 1 661 . 1 . 1 143 143 GLN C C 13 175.3 0.3 . 1 . . . . . 143 GLN C . 26612 1 662 . 1 . 1 143 143 GLN CA C 13 55.2 0.3 . 1 . . . . . 143 GLN CA . 26612 1 663 . 1 . 1 143 143 GLN CB C 13 28.9 0.3 . 1 . . . . . 143 GLN CB . 26612 1 664 . 1 . 1 143 143 GLN N N 15 122.0 0.3 . 1 . . . . . 143 GLN N . 26612 1 665 . 1 . 1 144 144 TRP H H 1 8.13 0.02 . 1 . . . . . 144 TRP H . 26612 1 666 . 1 . 1 144 144 TRP C C 13 176.3 0.3 . 1 . . . . . 144 TRP C . 26612 1 667 . 1 . 1 144 144 TRP CA C 13 57.1 0.3 . 1 . . . . . 144 TRP CA . 26612 1 668 . 1 . 1 144 144 TRP CB C 13 29.1 0.3 . 1 . . . . . 144 TRP CB . 26612 1 669 . 1 . 1 144 144 TRP N N 15 122.5 0.3 . 1 . . . . . 144 TRP N . 26612 1 670 . 1 . 1 145 145 THR H H 1 7.96 0.02 . 1 . . . . . 145 THR H . 26612 1 671 . 1 . 1 145 145 THR C C 13 173.7 0.3 . 1 . . . . . 145 THR C . 26612 1 672 . 1 . 1 145 145 THR CA C 13 61.3 0.3 . 1 . . . . . 145 THR CA . 26612 1 673 . 1 . 1 145 145 THR CB C 13 69.8 0.3 . 1 . . . . . 145 THR CB . 26612 1 674 . 1 . 1 145 145 THR N N 15 115.2 0.3 . 1 . . . . . 145 THR N . 26612 1 675 . 1 . 1 146 146 ASN H H 1 8.28 0.02 . 1 . . . . . 146 ASN H . 26612 1 676 . 1 . 1 146 146 ASN C C 13 175.1 0.3 . 1 . . . . . 146 ASN C . 26612 1 677 . 1 . 1 146 146 ASN CA C 13 53.0 0.3 . 1 . . . . . 146 ASN CA . 26612 1 678 . 1 . 1 146 146 ASN CB C 13 38.5 0.3 . 1 . . . . . 146 ASN CB . 26612 1 679 . 1 . 1 146 146 ASN N N 15 120.4 0.3 . 1 . . . . . 146 ASN N . 26612 1 680 . 1 . 1 147 147 ASN H H 1 8.38 0.02 . 1 . . . . . 147 ASN H . 26612 1 681 . 1 . 1 147 147 ASN CA C 13 53.1 0.3 . 1 . . . . . 147 ASN CA . 26612 1 682 . 1 . 1 147 147 ASN CB C 13 38.4 0.3 . 1 . . . . . 147 ASN CB . 26612 1 683 . 1 . 1 147 147 ASN N N 15 119.5 0.3 . 1 . . . . . 147 ASN N . 26612 1 684 . 1 . 1 148 148 ILE H H 1 8.09 0.02 . 1 . . . . . 148 ILE H . 26612 1 685 . 1 . 1 148 148 ILE C C 13 176.6 0.3 . 1 . . . . . 148 ILE C . 26612 1 686 . 1 . 1 148 148 ILE CA C 13 61.4 0.3 . 1 . . . . . 148 ILE CA . 26612 1 687 . 1 . 1 148 148 ILE CB C 13 37.8 0.3 . 1 . . . . . 148 ILE CB . 26612 1 688 . 1 . 1 148 148 ILE N N 15 120.8 0.3 . 1 . . . . . 148 ILE N . 26612 1 689 . 1 . 1 149 149 GLY H H 1 8.30 0.02 . 1 . . . . . 149 GLY H . 26612 1 690 . 1 . 1 149 149 GLY C C 13 173.7 0.3 . 1 . . . . . 149 GLY C . 26612 1 691 . 1 . 1 149 149 GLY CA C 13 44.9 0.3 . 1 . . . . . 149 GLY CA . 26612 1 692 . 1 . 1 149 149 GLY N N 15 111.8 0.3 . 1 . . . . . 149 GLY N . 26612 1 693 . 1 . 1 150 150 ASP H H 1 8.12 0.02 . 1 . . . . . 150 ASP H . 26612 1 694 . 1 . 1 150 150 ASP C C 13 176.2 0.3 . 1 . . . . . 150 ASP C . 26612 1 695 . 1 . 1 150 150 ASP CA C 13 54.0 0.3 . 1 . . . . . 150 ASP CA . 26612 1 696 . 1 . 1 150 150 ASP CB C 13 41.1 0.3 . 1 . . . . . 150 ASP CB . 26612 1 697 . 1 . 1 150 150 ASP N N 15 120.5 0.3 . 1 . . . . . 150 ASP N . 26612 1 698 . 1 . 1 151 151 ALA H H 1 8.27 0.02 . 1 . . . . . 151 ALA H . 26612 1 699 . 1 . 1 151 151 ALA C C 13 177.7 0.3 . 1 . . . . . 151 ALA C . 26612 1 700 . 1 . 1 151 151 ALA CA C 13 52.6 0.3 . 1 . . . . . 151 ALA CA . 26612 1 701 . 1 . 1 151 151 ALA CB C 13 18.4 0.3 . 1 . . . . . 151 ALA CB . 26612 1 702 . 1 . 1 151 151 ALA N N 15 124.0 0.3 . 1 . . . . . 151 ALA N . 26612 1 703 . 1 . 1 152 152 HIS H H 1 8.46 0.02 . 1 . . . . . 152 HIS H . 26612 1 704 . 1 . 1 152 152 HIS C C 13 174.9 0.3 . 1 . . . . . 152 HIS C . 26612 1 705 . 1 . 1 152 152 HIS CA C 13 55.4 0.3 . 1 . . . . . 152 HIS CA . 26612 1 706 . 1 . 1 152 152 HIS CB C 13 28.8 0.3 . 1 . . . . . 152 HIS CB . 26612 1 707 . 1 . 1 152 152 HIS N N 15 117.2 0.3 . 1 . . . . . 152 HIS N . 26612 1 708 . 1 . 1 153 153 THR H H 1 8.11 0.02 . 1 . . . . . 153 THR H . 26612 1 709 . 1 . 1 153 153 THR C C 13 174.5 0.3 . 1 . . . . . 153 THR C . 26612 1 710 . 1 . 1 153 153 THR CA C 13 61.7 0.3 . 1 . . . . . 153 THR CA . 26612 1 711 . 1 . 1 153 153 THR CB C 13 69.7 0.3 . 1 . . . . . 153 THR CB . 26612 1 712 . 1 . 1 153 153 THR N N 15 115.2 0.3 . 1 . . . . . 153 THR N . 26612 1 713 . 1 . 1 154 154 ILE H H 1 8.25 0.02 . 1 . . . . . 154 ILE H . 26612 1 714 . 1 . 1 154 154 ILE C C 13 176.6 0.3 . 1 . . . . . 154 ILE C . 26612 1 715 . 1 . 1 154 154 ILE CA C 13 61.3 0.3 . 1 . . . . . 154 ILE CA . 26612 1 716 . 1 . 1 154 154 ILE CB C 13 38.0 0.3 . 1 . . . . . 154 ILE CB . 26612 1 717 . 1 . 1 154 154 ILE N N 15 123.2 0.3 . 1 . . . . . 154 ILE N . 26612 1 718 . 1 . 1 155 155 GLY H H 1 8.39 0.02 . 1 . . . . . 155 GLY H . 26612 1 719 . 1 . 1 155 155 GLY C C 13 174.1 0.3 . 1 . . . . . 155 GLY C . 26612 1 720 . 1 . 1 155 155 GLY CA C 13 44.8 0.3 . 1 . . . . . 155 GLY CA . 26612 1 721 . 1 . 1 155 155 GLY N N 15 112.5 0.3 . 1 . . . . . 155 GLY N . 26612 1 722 . 1 . 1 156 156 THR H H 1 8.04 0.02 . 1 . . . . . 156 THR H . 26612 1 723 . 1 . 1 156 156 THR C C 13 174.5 0.3 . 1 . . . . . 156 THR C . 26612 1 724 . 1 . 1 156 156 THR CA C 13 61.5 0.3 . 1 . . . . . 156 THR CA . 26612 1 725 . 1 . 1 156 156 THR CB C 13 69.9 0.3 . 1 . . . . . 156 THR CB . 26612 1 726 . 1 . 1 156 156 THR N N 15 113.4 0.3 . 1 . . . . . 156 THR N . 26612 1 727 . 1 . 1 157 157 ARG H H 1 8.45 0.02 . 1 . . . . . 157 ARG H . 26612 1 728 . 1 . 1 157 157 ARG CA C 13 53.9 0.3 . 1 . . . . . 157 ARG CA . 26612 1 729 . 1 . 1 157 157 ARG CB C 13 29.5 0.3 . 1 . . . . . 157 ARG CB . 26612 1 730 . 1 . 1 157 157 ARG N N 15 123.9 0.3 . 1 . . . . . 157 ARG N . 26612 1 731 . 1 . 1 158 158 PRO C C 13 176.4 0.3 . 1 . . . . . 158 PRO C . 26612 1 732 . 1 . 1 158 158 PRO CA C 13 63.0 0.3 . 1 . . . . . 158 PRO CA . 26612 1 733 . 1 . 1 158 158 PRO CB C 13 31.3 0.3 . 1 . . . . . 158 PRO CB . 26612 1 734 . 1 . 1 159 159 ASP H H 1 8.37 0.02 . 1 . . . . . 159 ASP H . 26612 1 735 . 1 . 1 159 159 ASP C C 13 176.1 0.3 . 1 . . . . . 159 ASP C . 26612 1 736 . 1 . 1 159 159 ASP CA C 13 53.9 0.3 . 1 . . . . . 159 ASP CA . 26612 1 737 . 1 . 1 159 159 ASP CB C 13 41.0 0.3 . 1 . . . . . 159 ASP CB . 26612 1 738 . 1 . 1 159 159 ASP N N 15 120.3 0.3 . 1 . . . . . 159 ASP N . 26612 1 739 . 1 . 1 160 160 ASN H H 1 8.46 0.02 . 1 . . . . . 160 ASN H . 26612 1 740 . 1 . 1 160 160 ASN C C 13 174.9 0.3 . 1 . . . . . 160 ASN C . 26612 1 741 . 1 . 1 160 160 ASN CA C 13 53.1 0.3 . 1 . . . . . 160 ASN CA . 26612 1 742 . 1 . 1 160 160 ASN CB C 13 38.4 0.3 . 1 . . . . . 160 ASN CB . 26612 1 743 . 1 . 1 160 160 ASN N N 15 119.5 0.3 . 1 . . . . . 160 ASN N . 26612 1 744 . 1 . 1 161 161 GLY H H 1 8.47 0.02 . 1 . . . . . 161 GLY H . 26612 1 745 . 1 . 1 161 161 GLY C C 13 173.8 0.3 . 1 . . . . . 161 GLY C . 26612 1 746 . 1 . 1 161 161 GLY CA C 13 45.3 0.3 . 1 . . . . . 161 GLY CA . 26612 1 747 . 1 . 1 161 161 GLY N N 15 108.7 0.3 . 1 . . . . . 161 GLY N . 26612 1 748 . 1 . 1 162 162 MET H H 1 8.09 0.02 . 1 . . . . . 162 MET H . 26612 1 749 . 1 . 1 162 162 MET C C 13 176.3 0.3 . 1 . . . . . 162 MET C . 26612 1 750 . 1 . 1 162 162 MET CA C 13 55.4 0.3 . 1 . . . . . 162 MET CA . 26612 1 751 . 1 . 1 162 162 MET CB C 13 32.2 0.3 . 1 . . . . . 162 MET CB . 26612 1 752 . 1 . 1 162 162 MET N N 15 119.4 0.3 . 1 . . . . . 162 MET N . 26612 1 753 . 1 . 1 163 163 LEU H H 1 8.34 0.02 . 1 . . . . . 163 LEU H . 26612 1 754 . 1 . 1 163 163 LEU C C 13 177.4 0.3 . 1 . . . . . 163 LEU C . 26612 1 755 . 1 . 1 163 163 LEU CA C 13 54.8 0.3 . 1 . . . . . 163 LEU CA . 26612 1 756 . 1 . 1 163 163 LEU CB C 13 41.5 0.3 . 1 . . . . . 163 LEU CB . 26612 1 757 . 1 . 1 163 163 LEU N N 15 123.8 0.3 . 1 . . . . . 163 LEU N . 26612 1 758 . 1 . 1 164 164 SER H H 1 8.33 0.02 . 1 . . . . . 164 SER H . 26612 1 759 . 1 . 1 164 164 SER C C 13 174.6 0.3 . 1 . . . . . 164 SER C . 26612 1 760 . 1 . 1 164 164 SER CA C 13 58.0 0.3 . 1 . . . . . 164 SER CA . 26612 1 761 . 1 . 1 164 164 SER CB C 13 63.2 0.3 . 1 . . . . . 164 SER CB . 26612 1 762 . 1 . 1 164 164 SER N N 15 116.8 0.3 . 1 . . . . . 164 SER N . 26612 1 763 . 1 . 1 165 165 LEU H H 1 8.28 0.02 . 1 . . . . . 165 LEU H . 26612 1 764 . 1 . 1 165 165 LEU C C 13 177.8 0.3 . 1 . . . . . 165 LEU C . 26612 1 765 . 1 . 1 165 165 LEU CA C 13 54.9 0.3 . 1 . . . . . 165 LEU CA . 26612 1 766 . 1 . 1 165 165 LEU CB C 13 41.5 0.3 . 1 . . . . . 165 LEU CB . 26612 1 767 . 1 . 1 165 165 LEU N N 15 124.1 0.3 . 1 . . . . . 165 LEU N . 26612 1 768 . 1 . 1 166 166 GLY H H 1 8.32 0.02 . 1 . . . . . 166 GLY H . 26612 1 769 . 1 . 1 166 166 GLY C C 13 173.8 0.3 . 1 . . . . . 166 GLY C . 26612 1 770 . 1 . 1 166 166 GLY CA C 13 44.8 0.3 . 1 . . . . . 166 GLY CA . 26612 1 771 . 1 . 1 166 166 GLY N N 15 109.2 0.3 . 1 . . . . . 166 GLY N . 26612 1 772 . 1 . 1 167 167 VAL H H 1 7.92 0.02 . 1 . . . . . 167 VAL H . 26612 1 773 . 1 . 1 167 167 VAL C C 13 176.1 0.3 . 1 . . . . . 167 VAL C . 26612 1 774 . 1 . 1 167 167 VAL CA C 13 61.7 0.3 . 1 . . . . . 167 VAL CA . 26612 1 775 . 1 . 1 167 167 VAL CB C 13 32.2 0.3 . 1 . . . . . 167 VAL CB . 26612 1 776 . 1 . 1 167 167 VAL N N 15 118.8 0.3 . 1 . . . . . 167 VAL N . 26612 1 777 . 1 . 1 168 168 SER H H 1 8.30 0.02 . 1 . . . . . 168 SER H . 26612 1 778 . 1 . 1 168 168 SER C C 13 174.1 0.3 . 1 . . . . . 168 SER C . 26612 1 779 . 1 . 1 168 168 SER CA C 13 57.8 0.3 . 1 . . . . . 168 SER CA . 26612 1 780 . 1 . 1 168 168 SER CB C 13 63.5 0.3 . 1 . . . . . 168 SER CB . 26612 1 781 . 1 . 1 168 168 SER N N 15 118.8 0.3 . 1 . . . . . 168 SER N . 26612 1 782 . 1 . 1 169 169 TYR H H 1 8.19 0.02 . 1 . . . . . 169 TYR H . 26612 1 783 . 1 . 1 169 169 TYR C C 13 175.4 0.3 . 1 . . . . . 169 TYR C . 26612 1 784 . 1 . 1 169 169 TYR CA C 13 57.7 0.3 . 1 . . . . . 169 TYR CA . 26612 1 785 . 1 . 1 169 169 TYR CB C 13 38.3 0.3 . 1 . . . . . 169 TYR CB . 26612 1 786 . 1 . 1 169 169 TYR N N 15 122.9 0.3 . 1 . . . . . 169 TYR N . 26612 1 787 . 1 . 1 170 170 ARG H H 1 8.16 0.02 . 1 . . . . . 170 ARG H . 26612 1 788 . 1 . 1 170 170 ARG C C 13 175.6 0.3 . 1 . . . . . 170 ARG C . 26612 1 789 . 1 . 1 170 170 ARG CA C 13 55.5 0.3 . 1 . . . . . 170 ARG CA . 26612 1 790 . 1 . 1 170 170 ARG CB C 13 30.2 0.3 . 1 . . . . . 170 ARG CB . 26612 1 791 . 1 . 1 170 170 ARG N N 15 122.9 0.3 . 1 . . . . . 170 ARG N . 26612 1 792 . 1 . 1 171 171 PHE H H 1 8.21 0.02 . 1 . . . . . 171 PHE H . 26612 1 793 . 1 . 1 171 171 PHE C C 13 176.4 0.3 . 1 . . . . . 171 PHE C . 26612 1 794 . 1 . 1 171 171 PHE CA C 13 57.7 0.3 . 1 . . . . . 171 PHE CA . 26612 1 795 . 1 . 1 171 171 PHE CB C 13 39.1 0.3 . 1 . . . . . 171 PHE CB . 26612 1 796 . 1 . 1 171 171 PHE N N 15 121.3 0.3 . 1 . . . . . 171 PHE N . 26612 1 797 . 1 . 1 172 172 GLY H H 1 8.39 0.02 . 1 . . . . . 172 GLY H . 26612 1 798 . 1 . 1 172 172 GLY C C 13 173.9 0.3 . 1 . . . . . 172 GLY C . 26612 1 799 . 1 . 1 172 172 GLY CA C 13 44.9 0.3 . 1 . . . . . 172 GLY CA . 26612 1 800 . 1 . 1 172 172 GLY N N 15 110.6 0.3 . 1 . . . . . 172 GLY N . 26612 1 801 . 1 . 1 173 173 GLN H H 1 8.26 0.02 . 1 . . . . . 173 GLN H . 26612 1 802 . 1 . 1 173 173 GLN C C 13 176.4 0.3 . 1 . . . . . 173 GLN C . 26612 1 803 . 1 . 1 173 173 GLN CA C 13 55.7 0.3 . 1 . . . . . 173 GLN CA . 26612 1 804 . 1 . 1 173 173 GLN CB C 13 28.9 0.3 . 1 . . . . . 173 GLN CB . 26612 1 805 . 1 . 1 173 173 GLN N N 15 119.7 0.3 . 1 . . . . . 173 GLN N . 26612 1 806 . 1 . 1 174 174 GLY H H 1 8.42 0.02 . 1 . . . . . 174 GLY H . 26612 1 807 . 1 . 1 174 174 GLY C C 13 173.9 0.3 . 1 . . . . . 174 GLY C . 26612 1 808 . 1 . 1 174 174 GLY CA C 13 44.9 0.3 . 1 . . . . . 174 GLY CA . 26612 1 809 . 1 . 1 174 174 GLY N N 15 110.0 0.3 . 1 . . . . . 174 GLY N . 26612 1 810 . 1 . 1 175 175 GLU H H 1 8.23 0.02 . 1 . . . . . 175 GLU H . 26612 1 811 . 1 . 1 175 175 GLU C C 13 176.1 0.3 . 1 . . . . . 175 GLU C . 26612 1 812 . 1 . 1 175 175 GLU CA C 13 56.1 0.3 . 1 . . . . . 175 GLU CA . 26612 1 813 . 1 . 1 175 175 GLU CB C 13 29.8 0.3 . 1 . . . . . 175 GLU CB . 26612 1 814 . 1 . 1 175 175 GLU N N 15 120.4 0.3 . 1 . . . . . 175 GLU N . 26612 1 815 . 1 . 1 176 176 ALA H H 1 8.29 0.02 . 1 . . . . . 176 ALA H . 26612 1 816 . 1 . 1 176 176 ALA C C 13 176.3 0.3 . 1 . . . . . 176 ALA C . 26612 1 817 . 1 . 1 176 176 ALA CA C 13 52.0 0.3 . 1 . . . . . 176 ALA CA . 26612 1 818 . 1 . 1 176 176 ALA CB C 13 18.6 0.3 . 1 . . . . . 176 ALA CB . 26612 1 819 . 1 . 1 176 176 ALA N N 15 125.2 0.3 . 1 . . . . . 176 ALA N . 26612 1 820 . 1 . 1 177 177 ALA H H 1 7.88 0.02 . 1 . . . . . 177 ALA H . 26612 1 821 . 1 . 1 177 177 ALA CA C 13 53.6 0.3 . 1 . . . . . 177 ALA CA . 26612 1 822 . 1 . 1 177 177 ALA CB C 13 19.2 0.3 . 1 . . . . . 177 ALA CB . 26612 1 823 . 1 . 1 177 177 ALA N N 15 129.0 0.3 . 1 . . . . . 177 ALA N . 26612 1 stop_ save_