data_26653 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26653 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Nogo-A-Delta20 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-10 _Entry.Accession_date 2015-09-10 _Entry.Last_release_date 2015-12-09 _Entry.Original_release_date 2015-12-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Viviane Zelenay . . . . 26653 2 Michael Arzt . E. . . 26653 3 Stefan Bibow . . . . 26653 4 Martin Schwab . E. . . 26653 5 Roland Riek . . . . 26653 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26653 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 26653 '15N chemical shifts' 170 26653 '1H chemical shifts' 237 26653 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 2 . . 2016-12-12 2015-09-10 update BMRB 'update entry citation' 26653 1 . . 2015-12-09 2015-09-10 original author 'original release' 26653 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26653 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27611089 _Citation.Full_citation . _Citation.Title ; The Neurite Outgrowth Inhibitory Nogo-A-Delta20 Region is an Intrinsically Disordered Segment Harbouring Three Stretches with Helical Propensity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 9 _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 e0161813 _Citation.Page_last e0161813 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Viviane Zelenay . . . . 26653 1 2 Michael Arzt . E. . . 26653 1 3 Stefan Bibow . . . . 26653 1 4 Martin Schwab . E. . . 26653 1 5 Roland Riek . . . . 26653 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26653 _Assembly.ID 1 _Assembly.Name Nogo-A-Delta20 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Nogo-A-Delta20, 1' 1 $Nogo-A-Delta20 A . yes 'intrinsically disordered' no no . . . 26653 1 2 'Nogo-A-Delta20, 2' 1 $Nogo-A-Delta20 B . yes 'intrinsically disordered' no no . . . 26653 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nogo-A-Delta20 _Entity.Sf_category entity _Entity.Sf_framecode Nogo-A-Delta20 _Entity.Entry_ID 26653 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nogo-A-Delta20 _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 ; GSHMASMTGGQQMGRGSTGT KIAYETKVDLVQTSEAIQES LYPTAQLCPSFEEAEATPSP VLPDIVMEAPLNSLLPSAGA SVVQPSVSPLEAPPPVSYDS IKLEPENPPPYEEAMNVALK ALGTKEGIKEPESFNAAVQE TEAPYISIACDLIKETKLST EPSPDFSNYSEIAKFEKSVP EHAELVEDSSPESEPVDLFL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Nogo-A-Delta20 _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 . GLY . 26653 1 2 . SER . 26653 1 3 . HIS . 26653 1 4 . MET . 26653 1 5 . ALA . 26653 1 6 . SER . 26653 1 7 . MET . 26653 1 8 . THR . 26653 1 9 . GLY . 26653 1 10 . GLY . 26653 1 11 . GLN . 26653 1 12 . GLN . 26653 1 13 . MET . 26653 1 14 . GLY . 26653 1 15 . ARG . 26653 1 16 . GLY . 26653 1 17 . SER . 26653 1 18 . THR . 26653 1 19 . GLY . 26653 1 20 . THR . 26653 1 21 . LYS . 26653 1 22 . ILE . 26653 1 23 . ALA . 26653 1 24 . TYR . 26653 1 25 . GLU . 26653 1 26 . THR . 26653 1 27 . LYS . 26653 1 28 . VAL . 26653 1 29 . ASP . 26653 1 30 . LEU . 26653 1 31 . VAL . 26653 1 32 . GLN . 26653 1 33 . THR . 26653 1 34 . SER . 26653 1 35 . GLU . 26653 1 36 . ALA . 26653 1 37 . ILE . 26653 1 38 . GLN . 26653 1 39 . GLU . 26653 1 40 . SER . 26653 1 41 . LEU . 26653 1 42 . TYR . 26653 1 43 . PRO . 26653 1 44 . THR . 26653 1 45 . ALA . 26653 1 46 . GLN . 26653 1 47 . LEU . 26653 1 48 . CYS . 26653 1 49 . PRO . 26653 1 50 . SER . 26653 1 51 . PHE . 26653 1 52 . GLU . 26653 1 53 . GLU . 26653 1 54 . ALA . 26653 1 55 . GLU . 26653 1 56 . ALA . 26653 1 57 . THR . 26653 1 58 . PRO . 26653 1 59 . SER . 26653 1 60 . PRO . 26653 1 61 . VAL . 26653 1 62 . LEU . 26653 1 63 . PRO . 26653 1 64 . ASP . 26653 1 65 . ILE . 26653 1 66 . VAL . 26653 1 67 . MET . 26653 1 68 . GLU . 26653 1 69 . ALA . 26653 1 70 . PRO . 26653 1 71 . LEU . 26653 1 72 . ASN . 26653 1 73 . SER . 26653 1 74 . LEU . 26653 1 75 . LEU . 26653 1 76 . PRO . 26653 1 77 . SER . 26653 1 78 . ALA . 26653 1 79 . GLY . 26653 1 80 . ALA . 26653 1 81 . SER . 26653 1 82 . VAL . 26653 1 83 . VAL . 26653 1 84 . GLN . 26653 1 85 . PRO . 26653 1 86 . SER . 26653 1 87 . VAL . 26653 1 88 . SER . 26653 1 89 . PRO . 26653 1 90 . LEU . 26653 1 91 . GLU . 26653 1 92 . ALA . 26653 1 93 . PRO . 26653 1 94 . PRO . 26653 1 95 . PRO . 26653 1 96 . VAL . 26653 1 97 . SER . 26653 1 98 . TYR . 26653 1 99 . ASP . 26653 1 100 . SER . 26653 1 101 . ILE . 26653 1 102 . LYS . 26653 1 103 . LEU . 26653 1 104 . GLU . 26653 1 105 . PRO . 26653 1 106 . GLU . 26653 1 107 . ASN . 26653 1 108 . PRO . 26653 1 109 . PRO . 26653 1 110 . PRO . 26653 1 111 . TYR . 26653 1 112 . GLU . 26653 1 113 . GLU . 26653 1 114 . ALA . 26653 1 115 . MET . 26653 1 116 . ASN . 26653 1 117 . VAL . 26653 1 118 . ALA . 26653 1 119 . LEU . 26653 1 120 . LYS . 26653 1 121 . ALA . 26653 1 122 . LEU . 26653 1 123 . GLY . 26653 1 124 . THR . 26653 1 125 . LYS . 26653 1 126 . GLU . 26653 1 127 . GLY . 26653 1 128 . ILE . 26653 1 129 . LYS . 26653 1 130 . GLU . 26653 1 131 . PRO . 26653 1 132 . GLU . 26653 1 133 . SER . 26653 1 134 . PHE . 26653 1 135 . ASN . 26653 1 136 . ALA . 26653 1 137 . ALA . 26653 1 138 . VAL . 26653 1 139 . GLN . 26653 1 140 . GLU . 26653 1 141 . THR . 26653 1 142 . GLU . 26653 1 143 . ALA . 26653 1 144 . PRO . 26653 1 145 . TYR . 26653 1 146 . ILE . 26653 1 147 . SER . 26653 1 148 . ILE . 26653 1 149 . ALA . 26653 1 150 . CYS . 26653 1 151 . ASP . 26653 1 152 . LEU . 26653 1 153 . ILE . 26653 1 154 . LYS . 26653 1 155 . GLU . 26653 1 156 . THR . 26653 1 157 . LYS . 26653 1 158 . LEU . 26653 1 159 . SER . 26653 1 160 . THR . 26653 1 161 . GLU . 26653 1 162 . PRO . 26653 1 163 . SER . 26653 1 164 . PRO . 26653 1 165 . ASP . 26653 1 166 . PHE . 26653 1 167 . SER . 26653 1 168 . ASN . 26653 1 169 . TYR . 26653 1 170 . SER . 26653 1 171 . GLU . 26653 1 172 . ILE . 26653 1 173 . ALA . 26653 1 174 . LYS . 26653 1 175 . PHE . 26653 1 176 . GLU . 26653 1 177 . LYS . 26653 1 178 . SER . 26653 1 179 . VAL . 26653 1 180 . PRO . 26653 1 181 . GLU . 26653 1 182 . HIS . 26653 1 183 . ALA . 26653 1 184 . GLU . 26653 1 185 . LEU . 26653 1 186 . VAL . 26653 1 187 . GLU . 26653 1 188 . ASP . 26653 1 189 . SER . 26653 1 190 . SER . 26653 1 191 . PRO . 26653 1 192 . GLU . 26653 1 193 . SER . 26653 1 194 . GLU . 26653 1 195 . PRO . 26653 1 196 . VAL . 26653 1 197 . ASP . 26653 1 198 . LEU . 26653 1 199 . PHE . 26653 1 200 . LEU . 26653 1 201 . GLU . 26653 1 202 . HIS . 26653 1 203 . HIS . 26653 1 204 . HIS . 26653 1 205 . HIS . 26653 1 206 . HIS . 26653 1 207 . HIS . 26653 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26653 1 . SER 2 2 26653 1 . HIS 3 3 26653 1 . MET 4 4 26653 1 . ALA 5 5 26653 1 . SER 6 6 26653 1 . MET 7 7 26653 1 . THR 8 8 26653 1 . GLY 9 9 26653 1 . GLY 10 10 26653 1 . GLN 11 11 26653 1 . GLN 12 12 26653 1 . MET 13 13 26653 1 . GLY 14 14 26653 1 . ARG 15 15 26653 1 . GLY 16 16 26653 1 . SER 17 17 26653 1 . THR 18 18 26653 1 . GLY 19 19 26653 1 . THR 20 20 26653 1 . LYS 21 21 26653 1 . ILE 22 22 26653 1 . ALA 23 23 26653 1 . TYR 24 24 26653 1 . GLU 25 25 26653 1 . THR 26 26 26653 1 . LYS 27 27 26653 1 . VAL 28 28 26653 1 . ASP 29 29 26653 1 . LEU 30 30 26653 1 . VAL 31 31 26653 1 . GLN 32 32 26653 1 . THR 33 33 26653 1 . SER 34 34 26653 1 . GLU 35 35 26653 1 . ALA 36 36 26653 1 . ILE 37 37 26653 1 . GLN 38 38 26653 1 . GLU 39 39 26653 1 . SER 40 40 26653 1 . LEU 41 41 26653 1 . TYR 42 42 26653 1 . PRO 43 43 26653 1 . THR 44 44 26653 1 . ALA 45 45 26653 1 . GLN 46 46 26653 1 . LEU 47 47 26653 1 . CYS 48 48 26653 1 . PRO 49 49 26653 1 . SER 50 50 26653 1 . PHE 51 51 26653 1 . GLU 52 52 26653 1 . GLU 53 53 26653 1 . ALA 54 54 26653 1 . GLU 55 55 26653 1 . ALA 56 56 26653 1 . THR 57 57 26653 1 . PRO 58 58 26653 1 . SER 59 59 26653 1 . PRO 60 60 26653 1 . VAL 61 61 26653 1 . LEU 62 62 26653 1 . PRO 63 63 26653 1 . ASP 64 64 26653 1 . ILE 65 65 26653 1 . VAL 66 66 26653 1 . MET 67 67 26653 1 . GLU 68 68 26653 1 . ALA 69 69 26653 1 . PRO 70 70 26653 1 . LEU 71 71 26653 1 . ASN 72 72 26653 1 . SER 73 73 26653 1 . LEU 74 74 26653 1 . LEU 75 75 26653 1 . PRO 76 76 26653 1 . SER 77 77 26653 1 . ALA 78 78 26653 1 . GLY 79 79 26653 1 . ALA 80 80 26653 1 . SER 81 81 26653 1 . VAL 82 82 26653 1 . VAL 83 83 26653 1 . GLN 84 84 26653 1 . PRO 85 85 26653 1 . SER 86 86 26653 1 . VAL 87 87 26653 1 . SER 88 88 26653 1 . PRO 89 89 26653 1 . LEU 90 90 26653 1 . GLU 91 91 26653 1 . ALA 92 92 26653 1 . PRO 93 93 26653 1 . PRO 94 94 26653 1 . PRO 95 95 26653 1 . VAL 96 96 26653 1 . SER 97 97 26653 1 . TYR 98 98 26653 1 . ASP 99 99 26653 1 . SER 100 100 26653 1 . ILE 101 101 26653 1 . LYS 102 102 26653 1 . LEU 103 103 26653 1 . GLU 104 104 26653 1 . PRO 105 105 26653 1 . GLU 106 106 26653 1 . ASN 107 107 26653 1 . PRO 108 108 26653 1 . PRO 109 109 26653 1 . PRO 110 110 26653 1 . TYR 111 111 26653 1 . GLU 112 112 26653 1 . GLU 113 113 26653 1 . ALA 114 114 26653 1 . MET 115 115 26653 1 . ASN 116 116 26653 1 . VAL 117 117 26653 1 . ALA 118 118 26653 1 . LEU 119 119 26653 1 . LYS 120 120 26653 1 . ALA 121 121 26653 1 . LEU 122 122 26653 1 . GLY 123 123 26653 1 . THR 124 124 26653 1 . LYS 125 125 26653 1 . GLU 126 126 26653 1 . GLY 127 127 26653 1 . ILE 128 128 26653 1 . LYS 129 129 26653 1 . GLU 130 130 26653 1 . PRO 131 131 26653 1 . GLU 132 132 26653 1 . SER 133 133 26653 1 . PHE 134 134 26653 1 . ASN 135 135 26653 1 . ALA 136 136 26653 1 . ALA 137 137 26653 1 . VAL 138 138 26653 1 . GLN 139 139 26653 1 . GLU 140 140 26653 1 . THR 141 141 26653 1 . GLU 142 142 26653 1 . ALA 143 143 26653 1 . PRO 144 144 26653 1 . TYR 145 145 26653 1 . ILE 146 146 26653 1 . SER 147 147 26653 1 . ILE 148 148 26653 1 . ALA 149 149 26653 1 . CYS 150 150 26653 1 . ASP 151 151 26653 1 . LEU 152 152 26653 1 . ILE 153 153 26653 1 . LYS 154 154 26653 1 . GLU 155 155 26653 1 . THR 156 156 26653 1 . LYS 157 157 26653 1 . LEU 158 158 26653 1 . SER 159 159 26653 1 . THR 160 160 26653 1 . GLU 161 161 26653 1 . PRO 162 162 26653 1 . SER 163 163 26653 1 . PRO 164 164 26653 1 . ASP 165 165 26653 1 . PHE 166 166 26653 1 . SER 167 167 26653 1 . ASN 168 168 26653 1 . TYR 169 169 26653 1 . SER 170 170 26653 1 . GLU 171 171 26653 1 . ILE 172 172 26653 1 . ALA 173 173 26653 1 . LYS 174 174 26653 1 . PHE 175 175 26653 1 . GLU 176 176 26653 1 . LYS 177 177 26653 1 . SER 178 178 26653 1 . VAL 179 179 26653 1 . PRO 180 180 26653 1 . GLU 181 181 26653 1 . HIS 182 182 26653 1 . ALA 183 183 26653 1 . GLU 184 184 26653 1 . LEU 185 185 26653 1 . VAL 186 186 26653 1 . GLU 187 187 26653 1 . ASP 188 188 26653 1 . SER 189 189 26653 1 . SER 190 190 26653 1 . PRO 191 191 26653 1 . GLU 192 192 26653 1 . SER 193 193 26653 1 . GLU 194 194 26653 1 . PRO 195 195 26653 1 . VAL 196 196 26653 1 . ASP 197 197 26653 1 . LEU 198 198 26653 1 . PHE 199 199 26653 1 . LEU 200 200 26653 1 . GLU 201 201 26653 1 . HIS 202 202 26653 1 . HIS 203 203 26653 1 . HIS 204 204 26653 1 . HIS 205 205 26653 1 . HIS 206 206 26653 1 . HIS 207 207 26653 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 26653 _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 $Nogo-A-Delta20 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26653 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 26653 _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 $Nogo-A-Delta20 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 26653 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26653 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Nogo-A-Delta20 '[U-100% 13C; U-100% 15N]' . . 1 $Nogo-A-Delta20 . . 0.4 . . mM . . . . 26653 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 26653 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 26653 1 pH 7.4 . pH 26653 1 pressure 1 . atm 26653 1 temperature 279 . K 26653 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26653 _Software.ID 1 _Software.Name CCPNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26653 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26653 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 26653 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26653 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _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 26653 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 . . . 26653 1 2 spectrometer_2 Bruker 'Avance III' . 700 . . . 26653 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 26653 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26653 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26653 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26653 1 4 HNN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26653 1 5 HCAN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26653 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 26653 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26653 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26653 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26653 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 26653 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26653 1 2 '3D HNCA' . . . 26653 1 3 '3D HNCACB' . . . 26653 1 4 HNN . . . 26653 1 5 HCAN . . . 26653 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 ALA CA C 13 52.821 0.000 . 1 . . . . 5 ALA CA . 26653 1 2 . 1 1 6 6 SER H H 1 8.060 0.001 . 1 . . . . 6 SER H . 26653 1 3 . 1 1 6 6 SER CA C 13 58.381 0.000 . 1 . . . . 6 SER CA . 26653 1 4 . 1 1 6 6 SER N N 15 114.495 0.002 . 1 . . . . 6 SER N . 26653 1 5 . 1 1 7 7 MET CA C 13 55.605 0.000 . 1 . . . . 7 MET CA . 26653 1 6 . 1 1 8 8 THR H H 1 7.961 0.000 . 1 . . . . 8 THR H . 26653 1 7 . 1 1 8 8 THR CA C 13 61.976 0.021 . 1 . . . . 8 THR CA . 26653 1 8 . 1 1 8 8 THR N N 15 114.165 0.006 . 1 . . . . 8 THR N . 26653 1 9 . 1 1 9 9 GLY H H 1 8.259 0.007 . 1 . . . . 9 GLY H . 26653 1 10 . 1 1 9 9 GLY HA3 H 1 3.724 0.004 . 1 . . . . 9 GLY HA3 . 26653 1 11 . 1 1 9 9 GLY CA C 13 45.401 0.019 . 1 . . . . 9 GLY CA . 26653 1 12 . 1 1 9 9 GLY N N 15 111.200 0.030 . 1 . . . . 9 GLY N . 26653 1 13 . 1 1 10 10 GLY H H 1 8.134 0.006 . 1 . . . . 10 GLY H . 26653 1 14 . 1 1 10 10 GLY CA C 13 45.234 0.044 . 1 . . . . 10 GLY CA . 26653 1 15 . 1 1 10 10 GLY N N 15 108.540 0.047 . 1 . . . . 10 GLY N . 26653 1 16 . 1 1 11 11 GLN H H 1 8.130 0.008 . 1 . . . . 11 GLN H . 26653 1 17 . 1 1 11 11 GLN CA C 13 55.709 0.076 . 1 . . . . 11 GLN CA . 26653 1 18 . 1 1 11 11 GLN CB C 13 29.068 0.000 . 1 . . . . 11 GLN CB . 26653 1 19 . 1 1 11 11 GLN N N 15 119.659 0.030 . 1 . . . . 11 GLN N . 26653 1 20 . 1 1 13 13 MET CA C 13 55.496 0.038 . 1 . . . . 13 MET CA . 26653 1 21 . 1 1 13 13 MET CB C 13 32.320 0.000 . 1 . . . . 13 MET CB . 26653 1 22 . 1 1 14 14 GLY H H 1 8.298 0.006 . 1 . . . . 14 GLY H . 26653 1 23 . 1 1 14 14 GLY CA C 13 45.324 0.095 . 1 . . . . 14 GLY CA . 26653 1 24 . 1 1 14 14 GLY N N 15 110.093 0.057 . 1 . . . . 14 GLY N . 26653 1 25 . 1 1 15 15 ARG H H 1 8.104 0.003 . 1 . . . . 15 ARG H . 26653 1 26 . 1 1 15 15 ARG CA C 13 56.194 0.062 . 1 . . . . 15 ARG CA . 26653 1 27 . 1 1 15 15 ARG CB C 13 30.403 0.040 . 1 . . . . 15 ARG CB . 26653 1 28 . 1 1 15 15 ARG N N 15 120.522 0.013 . 1 . . . . 15 ARG N . 26653 1 29 . 1 1 16 16 GLY H H 1 8.350 0.007 . 1 . . . . 16 GLY H . 26653 1 30 . 1 1 16 16 GLY CA C 13 45.255 0.110 . 1 . . . . 16 GLY CA . 26653 1 31 . 1 1 16 16 GLY N N 15 110.098 0.031 . 1 . . . . 16 GLY N . 26653 1 32 . 1 1 17 17 SER H H 1 8.128 0.006 . 1 . . . . 17 SER H . 26653 1 33 . 1 1 17 17 SER CA C 13 58.232 0.046 . 1 . . . . 17 SER CA . 26653 1 34 . 1 1 17 17 SER CB C 13 63.692 0.018 . 1 . . . . 17 SER CB . 26653 1 35 . 1 1 17 17 SER N N 15 115.636 0.083 . 1 . . . . 17 SER N . 26653 1 36 . 1 1 18 18 THR H H 1 8.111 0.004 . 1 . . . . 18 THR H . 26653 1 37 . 1 1 18 18 THR HA H 1 4.119 0.001 . 1 . . . . 18 THR HA . 26653 1 38 . 1 1 18 18 THR CA C 13 62.008 0.071 . 1 . . . . 18 THR CA . 26653 1 39 . 1 1 18 18 THR CB C 13 69.656 0.044 . 1 . . . . 18 THR CB . 26653 1 40 . 1 1 18 18 THR N N 15 115.231 0.063 . 1 . . . . 18 THR N . 26653 1 41 . 1 1 19 19 GLY H H 1 8.219 0.007 . 1 . . . . 19 GLY H . 26653 1 42 . 1 1 19 19 GLY HA3 H 1 3.738 0.000 . 1 . . . . 19 GLY HA3 . 26653 1 43 . 1 1 19 19 GLY CA C 13 45.227 0.138 . 1 . . . . 19 GLY CA . 26653 1 44 . 1 1 19 19 GLY N N 15 110.985 0.057 . 1 . . . . 19 GLY N . 26653 1 45 . 1 1 20 20 THR H H 1 7.865 0.008 . 1 . . . . 20 THR H . 26653 1 46 . 1 1 20 20 THR CA C 13 62.022 0.023 . 1 . . . . 20 THR CA . 26653 1 47 . 1 1 20 20 THR CB C 13 69.741 0.046 . 1 . . . . 20 THR CB . 26653 1 48 . 1 1 20 20 THR N N 15 114.366 0.046 . 1 . . . . 20 THR N . 26653 1 49 . 1 1 21 21 LYS H H 1 8.212 0.001 . 1 . . . . 21 LYS H . 26653 1 50 . 1 1 21 21 LYS CA C 13 56.300 0.005 . 1 . . . . 21 LYS CA . 26653 1 51 . 1 1 21 21 LYS CB C 13 32.615 0.009 . 1 . . . . 21 LYS CB . 26653 1 52 . 1 1 21 21 LYS N N 15 124.494 0.013 . 1 . . . . 21 LYS N . 26653 1 53 . 1 1 22 22 ILE H H 1 7.999 0.008 . 1 . . . . 22 ILE H . 26653 1 54 . 1 1 22 22 ILE CA C 13 60.916 0.066 . 1 . . . . 22 ILE CA . 26653 1 55 . 1 1 22 22 ILE CB C 13 38.337 0.032 . 1 . . . . 22 ILE CB . 26653 1 56 . 1 1 22 22 ILE N N 15 123.346 0.020 . 1 . . . . 22 ILE N . 26653 1 57 . 1 1 23 23 ALA H H 1 8.130 0.005 . 1 . . . . 23 ALA H . 26653 1 58 . 1 1 23 23 ALA HA H 1 4.023 0.001 . 1 . . . . 23 ALA HA . 26653 1 59 . 1 1 23 23 ALA CA C 13 52.018 0.088 . 1 . . . . 23 ALA CA . 26653 1 60 . 1 1 23 23 ALA CB C 13 19.149 0.034 . 1 . . . . 23 ALA CB . 26653 1 61 . 1 1 23 23 ALA N N 15 128.511 0.032 . 1 . . . . 23 ALA N . 26653 1 62 . 1 1 24 24 TYR H H 1 7.930 0.006 . 1 . . . . 24 TYR H . 26653 1 63 . 1 1 24 24 TYR HA H 1 4.115 0.001 . 1 . . . . 24 TYR HA . 26653 1 64 . 1 1 24 24 TYR CA C 13 57.845 0.059 . 1 . . . . 24 TYR CA . 26653 1 65 . 1 1 24 24 TYR CB C 13 38.727 0.014 . 1 . . . . 24 TYR CB . 26653 1 66 . 1 1 24 24 TYR N N 15 120.158 0.086 . 1 . . . . 24 TYR N . 26653 1 67 . 1 1 25 25 GLU H H 1 8.152 0.008 . 1 . . . . 25 GLU H . 26653 1 68 . 1 1 25 25 GLU HA H 1 4.031 0.002 . 1 . . . . 25 GLU HA . 26653 1 69 . 1 1 25 25 GLU CA C 13 56.279 0.026 . 1 . . . . 25 GLU CA . 26653 1 70 . 1 1 25 25 GLU CB C 13 30.214 0.006 . 1 . . . . 25 GLU CB . 26653 1 71 . 1 1 25 25 GLU N N 15 122.513 0.033 . 1 . . . . 25 GLU N . 26653 1 72 . 1 1 26 26 THR H H 1 8.034 0.005 . 1 . . . . 26 THR H . 26653 1 73 . 1 1 26 26 THR HA H 1 4.028 0.003 . 1 . . . . 26 THR HA . 26653 1 74 . 1 1 26 26 THR CA C 13 61.992 0.085 . 1 . . . . 26 THR CA . 26653 1 75 . 1 1 26 26 THR CB C 13 69.690 0.020 . 1 . . . . 26 THR CB . 26653 1 76 . 1 1 26 26 THR N N 15 116.843 0.035 . 1 . . . . 26 THR N . 26653 1 77 . 1 1 27 27 LYS H H 1 8.241 0.010 . 1 . . . . 27 LYS H . 26653 1 78 . 1 1 27 27 LYS HA H 1 3.946 0.001 . 1 . . . . 27 LYS HA . 26653 1 79 . 1 1 27 27 LYS CA C 13 56.102 0.051 . 1 . . . . 27 LYS CA . 26653 1 80 . 1 1 27 27 LYS CB C 13 32.640 0.025 . 1 . . . . 27 LYS CB . 26653 1 81 . 1 1 27 27 LYS N N 15 124.944 0.070 . 1 . . . . 27 LYS N . 26653 1 82 . 1 1 28 28 VAL H H 1 8.026 0.007 . 1 . . . . 28 VAL H . 26653 1 83 . 1 1 28 28 VAL CA C 13 62.097 0.119 . 1 . . . . 28 VAL CA . 26653 1 84 . 1 1 28 28 VAL CB C 13 32.619 0.010 . 1 . . . . 28 VAL CB . 26653 1 85 . 1 1 28 28 VAL N N 15 122.052 0.014 . 1 . . . . 28 VAL N . 26653 1 86 . 1 1 29 29 ASP H H 1 8.222 0.008 . 1 . . . . 29 ASP H . 26653 1 87 . 1 1 29 29 ASP HA H 1 4.304 0.005 . 1 . . . . 29 ASP HA . 26653 1 88 . 1 1 29 29 ASP CA C 13 54.233 0.095 . 1 . . . . 29 ASP CA . 26653 1 89 . 1 1 29 29 ASP CB C 13 40.940 0.000 . 1 . . . . 29 ASP CB . 26653 1 90 . 1 1 29 29 ASP N N 15 124.382 0.028 . 1 . . . . 29 ASP N . 26653 1 91 . 1 1 30 30 LEU H H 1 8.022 0.007 . 1 . . . . 30 LEU H . 26653 1 92 . 1 1 30 30 LEU HA H 1 4.209 0.002 . 1 . . . . 30 LEU HA . 26653 1 93 . 1 1 30 30 LEU CA C 13 54.924 0.138 . 1 . . . . 30 LEU CA . 26653 1 94 . 1 1 30 30 LEU CB C 13 41.857 0.031 . 1 . . . . 30 LEU CB . 26653 1 95 . 1 1 30 30 LEU N N 15 122.979 0.035 . 1 . . . . 30 LEU N . 26653 1 96 . 1 1 31 31 VAL H H 1 7.991 0.004 . 1 . . . . 31 VAL H . 26653 1 97 . 1 1 31 31 VAL HA H 1 3.764 0.001 . 1 . . . . 31 VAL HA . 26653 1 98 . 1 1 31 31 VAL CA C 13 62.484 0.072 . 1 . . . . 31 VAL CA . 26653 1 99 . 1 1 31 31 VAL CB C 13 32.579 0.015 . 1 . . . . 31 VAL CB . 26653 1 100 . 1 1 31 31 VAL N N 15 122.209 0.052 . 1 . . . . 31 VAL N . 26653 1 101 . 1 1 32 32 GLN H H 1 8.332 0.006 . 1 . . . . 32 GLN H . 26653 1 102 . 1 1 32 32 GLN HA H 1 4.144 0.000 . 1 . . . . 32 GLN HA . 26653 1 103 . 1 1 32 32 GLN CA C 13 55.621 0.092 . 1 . . . . 32 GLN CA . 26653 1 104 . 1 1 32 32 GLN CB C 13 29.184 0.021 . 1 . . . . 32 GLN CB . 26653 1 105 . 1 1 32 32 GLN N N 15 124.746 0.040 . 1 . . . . 32 GLN N . 26653 1 106 . 1 1 33 33 THR H H 1 8.082 0.009 . 1 . . . . 33 THR H . 26653 1 107 . 1 1 33 33 THR HA H 1 4.033 0.001 . 1 . . . . 33 THR HA . 26653 1 108 . 1 1 33 33 THR CA C 13 61.800 0.034 . 1 . . . . 33 THR CA . 26653 1 109 . 1 1 33 33 THR CB C 13 69.817 0.006 . 1 . . . . 33 THR CB . 26653 1 110 . 1 1 33 33 THR N N 15 115.860 0.040 . 1 . . . . 33 THR N . 26653 1 111 . 1 1 34 34 SER H H 1 8.226 0.007 . 1 . . . . 34 SER H . 26653 1 112 . 1 1 34 34 SER HA H 1 4.163 0.001 . 1 . . . . 34 SER HA . 26653 1 113 . 1 1 34 34 SER CA C 13 58.591 0.024 . 1 . . . . 34 SER CA . 26653 1 114 . 1 1 34 34 SER CB C 13 63.714 0.053 . 1 . . . . 34 SER CB . 26653 1 115 . 1 1 34 34 SER N N 15 117.759 0.036 . 1 . . . . 34 SER N . 26653 1 116 . 1 1 35 35 GLU H H 1 8.281 0.006 . 1 . . . . 35 GLU H . 26653 1 117 . 1 1 35 35 GLU HA H 1 3.960 0.000 . 1 . . . . 35 GLU HA . 26653 1 118 . 1 1 35 35 GLU CA C 13 56.731 0.136 . 1 . . . . 35 GLU CA . 26653 1 119 . 1 1 35 35 GLU CB C 13 29.931 0.026 . 1 . . . . 35 GLU CB . 26653 1 120 . 1 1 35 35 GLU N N 15 122.705 0.037 . 1 . . . . 35 GLU N . 26653 1 121 . 1 1 36 36 ALA H H 1 8.041 0.009 . 1 . . . . 36 ALA H . 26653 1 122 . 1 1 36 36 ALA CA C 13 52.607 0.059 . 1 . . . . 36 ALA CA . 26653 1 123 . 1 1 36 36 ALA CB C 13 18.812 0.022 . 1 . . . . 36 ALA CB . 26653 1 124 . 1 1 36 36 ALA N N 15 124.841 0.043 . 1 . . . . 36 ALA N . 26653 1 125 . 1 1 37 37 ILE H H 1 7.952 0.005 . 1 . . . . 37 ILE H . 26653 1 126 . 1 1 37 37 ILE CA C 13 61.426 0.035 . 1 . . . . 37 ILE CA . 26653 1 127 . 1 1 37 37 ILE CB C 13 38.251 0.060 . 1 . . . . 37 ILE CB . 26653 1 128 . 1 1 37 37 ILE N N 15 120.820 0.044 . 1 . . . . 37 ILE N . 26653 1 129 . 1 1 38 38 GLN H H 1 8.240 0.007 . 1 . . . . 38 GLN H . 26653 1 130 . 1 1 38 38 GLN CA C 13 56.111 0.071 . 1 . . . . 38 GLN CA . 26653 1 131 . 1 1 38 38 GLN CB C 13 28.665 0.011 . 1 . . . . 38 GLN CB . 26653 1 132 . 1 1 38 38 GLN N N 15 124.708 0.053 . 1 . . . . 38 GLN N . 26653 1 133 . 1 1 39 39 GLU H H 1 8.246 0.010 . 1 . . . . 39 GLU H . 26653 1 134 . 1 1 39 39 GLU HA H 1 3.921 0.001 . 1 . . . . 39 GLU HA . 26653 1 135 . 1 1 39 39 GLU CA C 13 56.817 0.068 . 1 . . . . 39 GLU CA . 26653 1 136 . 1 1 39 39 GLU CB C 13 29.907 0.004 . 1 . . . . 39 GLU CB . 26653 1 137 . 1 1 39 39 GLU N N 15 122.440 0.031 . 1 . . . . 39 GLU N . 26653 1 138 . 1 1 40 40 SER H H 1 8.084 0.006 . 1 . . . . 40 SER H . 26653 1 139 . 1 1 40 40 SER HA H 1 4.165 0.001 . 1 . . . . 40 SER HA . 26653 1 140 . 1 1 40 40 SER CA C 13 58.441 0.083 . 1 . . . . 40 SER CA . 26653 1 141 . 1 1 40 40 SER CB C 13 63.361 0.006 . 1 . . . . 40 SER CB . 26653 1 142 . 1 1 40 40 SER N N 15 116.331 0.018 . 1 . . . . 40 SER N . 26653 1 143 . 1 1 41 41 LEU H H 1 7.918 0.009 . 1 . . . . 41 LEU H . 26653 1 144 . 1 1 41 41 LEU HA H 1 3.989 0.000 . 1 . . . . 41 LEU HA . 26653 1 145 . 1 1 41 41 LEU CA C 13 55.255 0.012 . 1 . . . . 41 LEU CA . 26653 1 146 . 1 1 41 41 LEU CB C 13 42.097 0.007 . 1 . . . . 41 LEU CB . 26653 1 147 . 1 1 41 41 LEU N N 15 123.650 0.015 . 1 . . . . 41 LEU N . 26653 1 148 . 1 1 42 42 TYR H H 1 7.832 0.009 . 1 . . . . 42 TYR H . 26653 1 149 . 1 1 42 42 TYR HA H 1 4.248 0.000 . 1 . . . . 42 TYR HA . 26653 1 150 . 1 1 42 42 TYR CA C 13 55.618 0.070 . 1 . . . . 42 TYR CA . 26653 1 151 . 1 1 42 42 TYR CB C 13 37.923 0.000 . 1 . . . . 42 TYR CB . 26653 1 152 . 1 1 42 42 TYR N N 15 120.231 0.018 . 1 . . . . 42 TYR N . 26653 1 153 . 1 1 43 43 PRO CA C 13 63.258 0.002 . 1 . . . . 43 PRO CA . 26653 1 154 . 1 1 43 43 PRO CB C 13 31.831 0.000 . 1 . . . . 43 PRO CB . 26653 1 155 . 1 1 44 44 THR H H 1 8.087 0.006 . 1 . . . . 44 THR H . 26653 1 156 . 1 1 44 44 THR HA H 1 4.014 0.000 . 1 . . . . 44 THR HA . 26653 1 157 . 1 1 44 44 THR CA C 13 61.950 0.087 . 1 . . . . 44 THR CA . 26653 1 158 . 1 1 44 44 THR CB C 13 69.803 0.037 . 1 . . . . 44 THR CB . 26653 1 159 . 1 1 44 44 THR N N 15 114.885 0.032 . 1 . . . . 44 THR N . 26653 1 160 . 1 1 45 45 ALA H H 1 8.148 0.008 . 1 . . . . 45 ALA H . 26653 1 161 . 1 1 45 45 ALA CA C 13 52.565 0.086 . 1 . . . . 45 ALA CA . 26653 1 162 . 1 1 45 45 ALA CB C 13 19.001 0.027 . 1 . . . . 45 ALA CB . 26653 1 163 . 1 1 45 45 ALA N N 15 126.500 0.060 . 1 . . . . 45 ALA N . 26653 1 164 . 1 1 46 46 GLN H H 1 8.153 0.006 . 1 . . . . 46 GLN H . 26653 1 165 . 1 1 46 46 GLN CA C 13 55.578 0.060 . 1 . . . . 46 GLN CA . 26653 1 166 . 1 1 46 46 GLN CB C 13 29.359 0.000 . 1 . . . . 46 GLN CB . 26653 1 167 . 1 1 46 46 GLN N N 15 119.797 0.049 . 1 . . . . 46 GLN N . 26653 1 168 . 1 1 47 47 LEU H H 1 8.130 0.008 . 1 . . . . 47 LEU H . 26653 1 169 . 1 1 47 47 LEU CA C 13 55.430 0.060 . 1 . . . . 47 LEU CA . 26653 1 170 . 1 1 47 47 LEU CB C 13 41.620 0.068 . 1 . . . . 47 LEU CB . 26653 1 171 . 1 1 47 47 LEU N N 15 123.928 0.024 . 1 . . . . 47 LEU N . 26653 1 172 . 1 1 48 48 CYS H H 1 8.220 0.004 . 1 . . . . 48 CYS H . 26653 1 173 . 1 1 48 48 CYS CA C 13 57.211 0.080 . 1 . . . . 48 CYS CA . 26653 1 174 . 1 1 48 48 CYS CB C 13 27.143 0.000 . 1 . . . . 48 CYS CB . 26653 1 175 . 1 1 48 48 CYS N N 15 121.914 0.008 . 1 . . . . 48 CYS N . 26653 1 176 . 1 1 53 53 GLU H H 1 8.141 0.001 . 1 . . . . 53 GLU H . 26653 1 177 . 1 1 53 53 GLU CA C 13 56.292 0.000 . 1 . . . . 53 GLU CA . 26653 1 178 . 1 1 53 53 GLU CB C 13 30.151 0.011 . 1 . . . . 53 GLU CB . 26653 1 179 . 1 1 53 53 GLU N N 15 122.301 0.009 . 1 . . . . 53 GLU N . 26653 1 180 . 1 1 54 54 ALA H H 1 8.160 0.004 . 1 . . . . 54 ALA H . 26653 1 181 . 1 1 54 54 ALA CA C 13 52.418 0.064 . 1 . . . . 54 ALA CA . 26653 1 182 . 1 1 54 54 ALA CB C 13 19.031 0.050 . 1 . . . . 54 ALA CB . 26653 1 183 . 1 1 54 54 ALA N N 15 125.345 0.010 . 1 . . . . 54 ALA N . 26653 1 184 . 1 1 55 55 GLU H H 1 8.162 0.008 . 1 . . . . 55 GLU H . 26653 1 185 . 1 1 55 55 GLU HA H 1 3.920 0.001 . 1 . . . . 55 GLU HA . 26653 1 186 . 1 1 55 55 GLU CA C 13 56.240 0.066 . 1 . . . . 55 GLU CA . 26653 1 187 . 1 1 55 55 GLU CB C 13 30.060 0.028 . 1 . . . . 55 GLU CB . 26653 1 188 . 1 1 55 55 GLU N N 15 120.368 0.041 . 1 . . . . 55 GLU N . 26653 1 189 . 1 1 56 56 ALA H H 1 8.157 0.005 . 1 . . . . 56 ALA H . 26653 1 190 . 1 1 56 56 ALA HA H 1 4.050 0.000 . 1 . . . . 56 ALA HA . 26653 1 191 . 1 1 56 56 ALA CA C 13 52.285 0.063 . 1 . . . . 56 ALA CA . 26653 1 192 . 1 1 56 56 ALA CB C 13 19.020 0.021 . 1 . . . . 56 ALA CB . 26653 1 193 . 1 1 56 56 ALA N N 15 125.698 0.047 . 1 . . . . 56 ALA N . 26653 1 194 . 1 1 57 57 THR H H 1 8.110 0.007 . 1 . . . . 57 THR H . 26653 1 195 . 1 1 57 57 THR HA H 1 4.271 0.002 . 1 . . . . 57 THR HA . 26653 1 196 . 1 1 57 57 THR CA C 13 59.763 0.065 . 1 . . . . 57 THR CA . 26653 1 197 . 1 1 57 57 THR CB C 13 69.679 0.000 . 1 . . . . 57 THR CB . 26653 1 198 . 1 1 57 57 THR N N 15 117.172 0.078 . 1 . . . . 57 THR N . 26653 1 199 . 1 1 58 58 PRO HA H 1 4.159 0.003 . 1 . . . . 58 PRO HA . 26653 1 200 . 1 1 58 58 PRO CA C 13 62.970 0.007 . 1 . . . . 58 PRO CA . 26653 1 201 . 1 1 58 58 PRO CB C 13 31.966 0.000 . 1 . . . . 58 PRO CB . 26653 1 202 . 1 1 58 58 PRO N N 15 139.441 0.065 . 1 . . . . 58 PRO N . 26653 1 203 . 1 1 59 59 SER H H 1 8.350 0.008 . 1 . . . . 59 SER H . 26653 1 204 . 1 1 59 59 SER HA H 1 4.429 0.000 . 1 . . . . 59 SER HA . 26653 1 205 . 1 1 59 59 SER CA C 13 56.554 0.049 . 1 . . . . 59 SER CA . 26653 1 206 . 1 1 59 59 SER CB C 13 62.992 0.000 . 1 . . . . 59 SER CB . 26653 1 207 . 1 1 59 59 SER N N 15 118.451 0.047 . 1 . . . . 59 SER N . 26653 1 208 . 1 1 60 60 PRO HA H 1 4.159 0.000 . 1 . . . . 60 PRO HA . 26653 1 209 . 1 1 60 60 PRO CA C 13 62.952 0.086 . 1 . . . . 60 PRO CA . 26653 1 210 . 1 1 60 60 PRO CB C 13 31.820 0.000 . 1 . . . . 60 PRO CB . 26653 1 211 . 1 1 60 60 PRO N N 15 137.948 0.015 . 1 . . . . 60 PRO N . 26653 1 212 . 1 1 61 61 VAL H H 1 8.094 0.008 . 1 . . . . 61 VAL H . 26653 1 213 . 1 1 61 61 VAL HA H 1 4.002 0.000 . 1 . . . . 61 VAL HA . 26653 1 214 . 1 1 61 61 VAL CA C 13 62.239 0.021 . 1 . . . . 61 VAL CA . 26653 1 215 . 1 1 61 61 VAL CB C 13 32.239 0.020 . 1 . . . . 61 VAL CB . 26653 1 216 . 1 1 61 61 VAL N N 15 121.639 0.051 . 1 . . . . 61 VAL N . 26653 1 217 . 1 1 62 62 LEU H H 1 8.283 0.006 . 1 . . . . 62 LEU H . 26653 1 218 . 1 1 62 62 LEU CA C 13 52.668 0.070 . 1 . . . . 62 LEU CA . 26653 1 219 . 1 1 62 62 LEU CB C 13 41.323 0.000 . 1 . . . . 62 LEU CB . 26653 1 220 . 1 1 62 62 LEU N N 15 128.855 0.019 . 1 . . . . 62 LEU N . 26653 1 221 . 1 1 63 63 PRO CA C 13 62.655 0.142 . 1 . . . . 63 PRO CA . 26653 1 222 . 1 1 63 63 PRO CB C 13 31.853 0.000 . 1 . . . . 63 PRO CB . 26653 1 223 . 1 1 64 64 ASP H H 1 8.173 0.007 . 1 . . . . 64 ASP H . 26653 1 224 . 1 1 64 64 ASP CA C 13 54.442 0.014 . 1 . . . . 64 ASP CA . 26653 1 225 . 1 1 64 64 ASP CB C 13 40.820 0.070 . 1 . . . . 64 ASP CB . 26653 1 226 . 1 1 64 64 ASP N N 15 120.611 0.026 . 1 . . . . 64 ASP N . 26653 1 227 . 1 1 65 65 ILE H H 1 7.897 0.009 . 1 . . . . 65 ILE H . 26653 1 228 . 1 1 65 65 ILE CA C 13 60.948 0.030 . 1 . . . . 65 ILE CA . 26653 1 229 . 1 1 65 65 ILE CB C 13 38.330 0.052 . 1 . . . . 65 ILE CB . 26653 1 230 . 1 1 65 65 ILE N N 15 121.380 0.020 . 1 . . . . 65 ILE N . 26653 1 231 . 1 1 66 66 VAL H H 1 8.128 0.007 . 1 . . . . 66 VAL H . 26653 1 232 . 1 1 66 66 VAL CA C 13 62.350 0.058 . 1 . . . . 66 VAL CA . 26653 1 233 . 1 1 66 66 VAL CB C 13 32.252 0.006 . 1 . . . . 66 VAL CB . 26653 1 234 . 1 1 66 66 VAL N N 15 126.136 0.010 . 1 . . . . 66 VAL N . 26653 1 235 . 1 1 67 67 MET H H 1 8.325 0.006 . 1 . . . . 67 MET H . 26653 1 236 . 1 1 67 67 MET CA C 13 55.060 0.176 . 1 . . . . 67 MET CA . 26653 1 237 . 1 1 67 67 MET CB C 13 32.468 0.010 . 1 . . . . 67 MET CB . 26653 1 238 . 1 1 67 67 MET N N 15 125.635 0.047 . 1 . . . . 67 MET N . 26653 1 239 . 1 1 68 68 GLU H H 1 8.233 0.004 . 1 . . . . 68 GLU H . 26653 1 240 . 1 1 68 68 GLU CA C 13 56.068 0.168 . 1 . . . . 68 GLU CA . 26653 1 241 . 1 1 68 68 GLU CB C 13 30.230 0.056 . 1 . . . . 68 GLU CB . 26653 1 242 . 1 1 68 68 GLU N N 15 123.032 0.034 . 1 . . . . 68 GLU N . 26653 1 243 . 1 1 69 69 ALA H H 1 8.219 0.002 . 1 . . . . 69 ALA H . 26653 1 244 . 1 1 69 69 ALA CA C 13 50.473 0.055 . 1 . . . . 69 ALA CA . 26653 1 245 . 1 1 69 69 ALA CB C 13 17.748 0.000 . 1 . . . . 69 ALA CB . 26653 1 246 . 1 1 69 69 ALA N N 15 127.055 0.008 . 1 . . . . 69 ALA N . 26653 1 247 . 1 1 70 70 PRO CA C 13 62.663 0.128 . 1 . . . . 70 PRO CA . 26653 1 248 . 1 1 70 70 PRO CB C 13 32.047 0.000 . 1 . . . . 70 PRO CB . 26653 1 249 . 1 1 71 71 LEU H H 1 8.232 0.003 . 1 . . . . 71 LEU H . 26653 1 250 . 1 1 71 71 LEU CA C 13 55.577 0.009 . 1 . . . . 71 LEU CA . 26653 1 251 . 1 1 71 71 LEU CB C 13 41.912 0.026 . 1 . . . . 71 LEU CB . 26653 1 252 . 1 1 71 71 LEU N N 15 122.588 0.025 . 1 . . . . 71 LEU N . 26653 1 253 . 1 1 72 72 ASN H H 1 8.285 0.008 . 1 . . . . 72 ASN H . 26653 1 254 . 1 1 72 72 ASN CA C 13 53.141 0.143 . 1 . . . . 72 ASN CA . 26653 1 255 . 1 1 72 72 ASN CB C 13 38.428 0.072 . 1 . . . . 72 ASN CB . 26653 1 256 . 1 1 72 72 ASN N N 15 119.249 0.123 . 1 . . . . 72 ASN N . 26653 1 257 . 1 1 73 73 SER H H 1 8.030 0.007 . 1 . . . . 73 SER H . 26653 1 258 . 1 1 73 73 SER CA C 13 58.481 0.089 . 1 . . . . 73 SER CA . 26653 1 259 . 1 1 73 73 SER CB C 13 63.638 0.015 . 1 . . . . 73 SER CB . 26653 1 260 . 1 1 73 73 SER N N 15 116.045 0.025 . 1 . . . . 73 SER N . 26653 1 261 . 1 1 74 74 LEU H H 1 7.997 0.010 . 1 . . . . 74 LEU H . 26653 1 262 . 1 1 74 74 LEU CA C 13 55.016 0.028 . 1 . . . . 74 LEU CA . 26653 1 263 . 1 1 74 74 LEU CB C 13 41.700 0.024 . 1 . . . . 74 LEU CB . 26653 1 264 . 1 1 74 74 LEU N N 15 123.378 0.009 . 1 . . . . 74 LEU N . 26653 1 265 . 1 1 75 75 LEU H H 1 7.879 0.007 . 1 . . . . 75 LEU H . 26653 1 266 . 1 1 75 75 LEU CA C 13 52.658 0.061 . 1 . . . . 75 LEU CA . 26653 1 267 . 1 1 75 75 LEU CB C 13 41.367 0.000 . 1 . . . . 75 LEU CB . 26653 1 268 . 1 1 75 75 LEU N N 15 123.858 0.014 . 1 . . . . 75 LEU N . 26653 1 269 . 1 1 76 76 PRO CA C 13 63.199 0.000 . 1 . . . . 76 PRO CA . 26653 1 270 . 1 1 76 76 PRO CB C 13 31.796 0.000 . 1 . . . . 76 PRO CB . 26653 1 271 . 1 1 77 77 SER H H 1 8.175 0.008 . 1 . . . . 77 SER H . 26653 1 272 . 1 1 77 77 SER CA C 13 58.222 0.033 . 1 . . . . 77 SER CA . 26653 1 273 . 1 1 77 77 SER CB C 13 63.737 0.096 . 1 . . . . 77 SER CB . 26653 1 274 . 1 1 77 77 SER N N 15 115.910 0.020 . 1 . . . . 77 SER N . 26653 1 275 . 1 1 78 78 ALA H H 1 8.216 0.007 . 1 . . . . 78 ALA H . 26653 1 276 . 1 1 78 78 ALA HA H 1 4.051 0.001 . 1 . . . . 78 ALA HA . 26653 1 277 . 1 1 78 78 ALA CA C 13 52.741 0.077 . 1 . . . . 78 ALA CA . 26653 1 278 . 1 1 78 78 ALA CB C 13 18.940 0.033 . 1 . . . . 78 ALA CB . 26653 1 279 . 1 1 78 78 ALA N N 15 126.175 0.018 . 1 . . . . 78 ALA N . 26653 1 280 . 1 1 79 79 GLY H H 1 8.138 0.006 . 1 . . . . 79 GLY H . 26653 1 281 . 1 1 79 79 GLY HA3 H 1 3.657 0.000 . 1 . . . . 79 GLY HA3 . 26653 1 282 . 1 1 79 79 GLY CA C 13 45.026 0.099 . 1 . . . . 79 GLY CA . 26653 1 283 . 1 1 79 79 GLY N N 15 108.069 0.014 . 1 . . . . 79 GLY N . 26653 1 284 . 1 1 80 80 ALA H H 1 7.912 0.006 . 1 . . . . 80 ALA H . 26653 1 285 . 1 1 80 80 ALA HA H 1 4.063 0.000 . 1 . . . . 80 ALA HA . 26653 1 286 . 1 1 80 80 ALA CA C 13 52.349 0.074 . 1 . . . . 80 ALA CA . 26653 1 287 . 1 1 80 80 ALA CB C 13 19.120 0.002 . 1 . . . . 80 ALA CB . 26653 1 288 . 1 1 80 80 ALA N N 15 123.477 0.028 . 1 . . . . 80 ALA N . 26653 1 289 . 1 1 81 81 SER H H 1 8.133 0.006 . 1 . . . . 81 SER H . 26653 1 290 . 1 1 81 81 SER HA H 1 4.194 0.004 . 1 . . . . 81 SER HA . 26653 1 291 . 1 1 81 81 SER CA C 13 58.206 0.068 . 1 . . . . 81 SER CA . 26653 1 292 . 1 1 81 81 SER CB C 13 63.755 0.069 . 1 . . . . 81 SER CB . 26653 1 293 . 1 1 81 81 SER N N 15 115.396 0.044 . 1 . . . . 81 SER N . 26653 1 294 . 1 1 82 82 VAL H H 1 7.971 0.010 . 1 . . . . 82 VAL H . 26653 1 295 . 1 1 82 82 VAL HA H 1 3.854 0.001 . 1 . . . . 82 VAL HA . 26653 1 296 . 1 1 82 82 VAL CA C 13 62.207 0.055 . 1 . . . . 82 VAL CA . 26653 1 297 . 1 1 82 82 VAL CB C 13 32.399 0.019 . 1 . . . . 82 VAL CB . 26653 1 298 . 1 1 82 82 VAL N N 15 122.287 0.015 . 1 . . . . 82 VAL N . 26653 1 299 . 1 1 83 83 VAL H H 1 8.104 0.007 . 1 . . . . 83 VAL H . 26653 1 300 . 1 1 83 83 VAL HA H 1 3.776 0.001 . 1 . . . . 83 VAL HA . 26653 1 301 . 1 1 83 83 VAL CA C 13 62.173 0.036 . 1 . . . . 83 VAL CA . 26653 1 302 . 1 1 83 83 VAL CB C 13 32.287 0.003 . 1 . . . . 83 VAL CB . 26653 1 303 . 1 1 83 83 VAL N N 15 125.481 0.046 . 1 . . . . 83 VAL N . 26653 1 304 . 1 1 84 84 GLN H H 1 8.399 0.007 . 1 . . . . 84 GLN H . 26653 1 305 . 1 1 84 84 GLN HA H 1 4.322 0.000 . 1 . . . . 84 GLN HA . 26653 1 306 . 1 1 84 84 GLN CA C 13 53.272 0.096 . 1 . . . . 84 GLN CA . 26653 1 307 . 1 1 84 84 GLN CB C 13 28.424 0.000 . 1 . . . . 84 GLN CB . 26653 1 308 . 1 1 84 84 GLN N N 15 126.582 0.023 . 1 . . . . 84 GLN N . 26653 1 309 . 1 1 85 85 PRO HA H 1 4.165 0.002 . 1 . . . . 85 PRO HA . 26653 1 310 . 1 1 85 85 PRO CA C 13 62.821 0.095 . 1 . . . . 85 PRO CA . 26653 1 311 . 1 1 85 85 PRO CB C 13 31.962 0.000 . 1 . . . . 85 PRO CB . 26653 1 312 . 1 1 85 85 PRO N N 15 136.923 0.070 . 1 . . . . 85 PRO N . 26653 1 313 . 1 1 86 86 SER H H 1 8.288 0.006 . 1 . . . . 86 SER H . 26653 1 314 . 1 1 86 86 SER HA H 1 4.166 0.002 . 1 . . . . 86 SER HA . 26653 1 315 . 1 1 86 86 SER CA C 13 58.222 0.014 . 1 . . . . 86 SER CA . 26653 1 316 . 1 1 86 86 SER CB C 13 63.823 0.000 . 1 . . . . 86 SER CB . 26653 1 317 . 1 1 86 86 SER N N 15 116.700 0.008 . 1 . . . . 86 SER N . 26653 1 318 . 1 1 87 87 VAL H H 1 8.038 0.007 . 1 . . . . 87 VAL H . 26653 1 319 . 1 1 87 87 VAL HA H 1 3.819 0.001 . 1 . . . . 87 VAL HA . 26653 1 320 . 1 1 87 87 VAL CA C 13 61.980 0.102 . 1 . . . . 87 VAL CA . 26653 1 321 . 1 1 87 87 VAL CB C 13 32.462 0.000 . 1 . . . . 87 VAL CB . 26653 1 322 . 1 1 87 87 VAL N N 15 121.865 0.051 . 1 . . . . 87 VAL N . 26653 1 323 . 1 1 88 88 SER H H 1 8.313 0.008 . 1 . . . . 88 SER H . 26653 1 324 . 1 1 88 88 SER CA C 13 56.225 0.034 . 1 . . . . 88 SER CA . 26653 1 325 . 1 1 88 88 SER CB C 13 63.219 0.000 . 1 . . . . 88 SER CB . 26653 1 326 . 1 1 88 88 SER N N 15 121.616 0.019 . 1 . . . . 88 SER N . 26653 1 327 . 1 1 89 89 PRO CA C 13 62.862 0.000 . 1 . . . . 89 PRO CA . 26653 1 328 . 1 1 89 89 PRO CB C 13 31.939 0.000 . 1 . . . . 89 PRO CB . 26653 1 329 . 1 1 90 90 LEU H H 1 8.058 0.010 . 1 . . . . 90 LEU H . 26653 1 330 . 1 1 90 90 LEU CA C 13 55.559 0.000 . 1 . . . . 90 LEU CA . 26653 1 331 . 1 1 90 90 LEU CB C 13 42.115 0.027 . 1 . . . . 90 LEU CB . 26653 1 332 . 1 1 90 90 LEU N N 15 119.748 0.009 . 1 . . . . 90 LEU N . 26653 1 333 . 1 1 91 91 GLU H H 1 8.024 0.012 . 1 . . . . 91 GLU H . 26653 1 334 . 1 1 91 91 GLU HA H 1 4.283 0.001 . 1 . . . . 91 GLU HA . 26653 1 335 . 1 1 91 91 GLU CA C 13 55.888 0.072 . 1 . . . . 91 GLU CA . 26653 1 336 . 1 1 91 91 GLU CB C 13 30.243 0.003 . 1 . . . . 91 GLU CB . 26653 1 337 . 1 1 91 91 GLU N N 15 121.680 0.020 . 1 . . . . 91 GLU N . 26653 1 338 . 1 1 92 92 ALA H H 1 8.106 0.007 . 1 . . . . 92 ALA H . 26653 1 339 . 1 1 92 92 ALA HA H 1 4.290 0.001 . 1 . . . . 92 ALA HA . 26653 1 340 . 1 1 92 92 ALA CA C 13 50.247 0.079 . 1 . . . . 92 ALA CA . 26653 1 341 . 1 1 92 92 ALA CB C 13 17.857 0.000 . 1 . . . . 92 ALA CB . 26653 1 342 . 1 1 92 92 ALA N N 15 126.887 0.070 . 1 . . . . 92 ALA N . 26653 1 343 . 1 1 93 93 PRO N N 15 136.813 0.000 . 1 . . . . 93 PRO N . 26653 1 344 . 1 1 95 95 PRO HA H 1 4.162 0.010 . 1 . . . . 95 PRO HA . 26653 1 345 . 1 1 95 95 PRO CA C 13 63.285 0.015 . 1 . . . . 95 PRO CA . 26653 1 346 . 1 1 95 95 PRO CB C 13 32.251 0.000 . 1 . . . . 95 PRO CB . 26653 1 347 . 1 1 95 95 PRO N N 15 136.219 0.000 . 1 . . . . 95 PRO N . 26653 1 348 . 1 1 96 96 VAL H H 1 8.016 0.009 . 1 . . . . 96 VAL H . 26653 1 349 . 1 1 96 96 VAL HA H 1 4.118 0.002 . 1 . . . . 96 VAL HA . 26653 1 350 . 1 1 96 96 VAL CA C 13 62.348 0.085 . 1 . . . . 96 VAL CA . 26653 1 351 . 1 1 96 96 VAL CB C 13 32.519 0.042 . 1 . . . . 96 VAL CB . 26653 1 352 . 1 1 96 96 VAL N N 15 120.611 0.021 . 1 . . . . 96 VAL N . 26653 1 353 . 1 1 97 97 SER H H 1 8.099 0.006 . 1 . . . . 97 SER H . 26653 1 354 . 1 1 97 97 SER HA H 1 4.171 0.000 . 1 . . . . 97 SER HA . 26653 1 355 . 1 1 97 97 SER CA C 13 57.459 0.106 . 1 . . . . 97 SER CA . 26653 1 356 . 1 1 97 97 SER CB C 13 63.966 0.006 . 1 . . . . 97 SER CB . 26653 1 357 . 1 1 97 97 SER N N 15 119.275 0.025 . 1 . . . . 97 SER N . 26653 1 358 . 1 1 98 98 TYR H H 1 8.215 0.008 . 1 . . . . 98 TYR H . 26653 1 359 . 1 1 98 98 TYR CA C 13 57.950 0.067 . 1 . . . . 98 TYR CA . 26653 1 360 . 1 1 98 98 TYR CB C 13 38.422 0.012 . 1 . . . . 98 TYR CB . 26653 1 361 . 1 1 98 98 TYR N N 15 123.219 0.050 . 1 . . . . 98 TYR N . 26653 1 362 . 1 1 99 99 ASP H H 1 8.050 0.010 . 1 . . . . 99 ASP H . 26653 1 363 . 1 1 99 99 ASP CA C 13 54.340 0.056 . 1 . . . . 99 ASP CA . 26653 1 364 . 1 1 99 99 ASP CB C 13 40.908 0.052 . 1 . . . . 99 ASP CB . 26653 1 365 . 1 1 99 99 ASP N N 15 121.279 0.018 . 1 . . . . 99 ASP N . 26653 1 366 . 1 1 100 100 SER H H 1 7.929 0.009 . 1 . . . . 100 SER H . 26653 1 367 . 1 1 100 100 SER CA C 13 58.463 0.035 . 1 . . . . 100 SER CA . 26653 1 368 . 1 1 100 100 SER CB C 13 63.736 0.005 . 1 . . . . 100 SER CB . 26653 1 369 . 1 1 100 100 SER N N 15 115.850 0.020 . 1 . . . . 100 SER N . 26653 1 370 . 1 1 101 101 ILE H H 1 7.867 0.009 . 1 . . . . 101 ILE H . 26653 1 371 . 1 1 101 101 ILE CA C 13 61.174 0.075 . 1 . . . . 101 ILE CA . 26653 1 372 . 1 1 101 101 ILE CB C 13 38.201 0.003 . 1 . . . . 101 ILE CB . 26653 1 373 . 1 1 101 101 ILE N N 15 122.648 0.014 . 1 . . . . 101 ILE N . 26653 1 374 . 1 1 102 102 LYS H H 1 8.161 0.006 . 1 . . . . 102 LYS H . 26653 1 375 . 1 1 102 102 LYS CA C 13 55.905 0.084 . 1 . . . . 102 LYS CA . 26653 1 376 . 1 1 102 102 LYS CB C 13 32.583 0.007 . 1 . . . . 102 LYS CB . 26653 1 377 . 1 1 102 102 LYS N N 15 126.256 0.030 . 1 . . . . 102 LYS N . 26653 1 378 . 1 1 103 103 LEU H H 1 8.158 0.007 . 1 . . . . 103 LEU H . 26653 1 379 . 1 1 103 103 LEU CA C 13 54.767 0.008 . 1 . . . . 103 LEU CA . 26653 1 380 . 1 1 103 103 LEU CB C 13 42.134 0.019 . 1 . . . . 103 LEU CB . 26653 1 381 . 1 1 103 103 LEU N N 15 124.928 0.015 . 1 . . . . 103 LEU N . 26653 1 382 . 1 1 104 104 GLU H H 1 8.189 0.007 . 1 . . . . 104 GLU H . 26653 1 383 . 1 1 104 104 GLU CA C 13 54.226 0.004 . 1 . . . . 104 GLU CA . 26653 1 384 . 1 1 104 104 GLU CB C 13 29.357 0.000 . 1 . . . . 104 GLU CB . 26653 1 385 . 1 1 104 104 GLU N N 15 123.322 0.020 . 1 . . . . 104 GLU N . 26653 1 386 . 1 1 105 105 PRO CA C 13 63.179 0.046 . 1 . . . . 105 PRO CA . 26653 1 387 . 1 1 105 105 PRO CB C 13 32.554 0.000 . 1 . . . . 105 PRO CB . 26653 1 388 . 1 1 106 106 GLU H H 1 8.325 0.008 . 1 . . . . 106 GLU H . 26653 1 389 . 1 1 106 106 GLU CA C 13 56.420 0.033 . 1 . . . . 106 GLU CA . 26653 1 390 . 1 1 106 106 GLU CB C 13 29.996 0.006 . 1 . . . . 106 GLU CB . 26653 1 391 . 1 1 106 106 GLU N N 15 121.357 0.014 . 1 . . . . 106 GLU N . 26653 1 392 . 1 1 107 107 ASN H H 1 8.321 0.009 . 1 . . . . 107 ASN H . 26653 1 393 . 1 1 107 107 ASN CA C 13 51.185 0.148 . 1 . . . . 107 ASN CA . 26653 1 394 . 1 1 107 107 ASN CB C 13 38.470 0.000 . 1 . . . . 107 ASN CB . 26653 1 395 . 1 1 107 107 ASN N N 15 120.318 0.022 . 1 . . . . 107 ASN N . 26653 1 396 . 1 1 110 110 PRO CA C 13 63.145 0.143 . 1 . . . . 110 PRO CA . 26653 1 397 . 1 1 110 110 PRO CB C 13 32.238 0.000 . 1 . . . . 110 PRO CB . 26653 1 398 . 1 1 111 111 TYR H H 1 8.004 0.007 . 1 . . . . 111 TYR H . 26653 1 399 . 1 1 111 111 TYR CA C 13 58.205 0.072 . 1 . . . . 111 TYR CA . 26653 1 400 . 1 1 111 111 TYR CB C 13 38.394 0.003 . 1 . . . . 111 TYR CB . 26653 1 401 . 1 1 111 111 TYR N N 15 120.783 0.043 . 1 . . . . 111 TYR N . 26653 1 402 . 1 1 112 112 GLU H H 1 7.949 0.012 . 1 . . . . 112 GLU H . 26653 1 403 . 1 1 112 112 GLU CA C 13 56.200 0.206 . 1 . . . . 112 GLU CA . 26653 1 404 . 1 1 112 112 GLU CB C 13 30.420 0.011 . 1 . . . . 112 GLU CB . 26653 1 405 . 1 1 112 112 GLU N N 15 123.511 0.013 . 1 . . . . 112 GLU N . 26653 1 406 . 1 1 113 113 GLU H H 1 8.057 0.008 . 1 . . . . 113 GLU H . 26653 1 407 . 1 1 113 113 GLU CA C 13 56.828 0.157 . 1 . . . . 113 GLU CA . 26653 1 408 . 1 1 113 113 GLU CB C 13 29.915 0.007 . 1 . . . . 113 GLU CB . 26653 1 409 . 1 1 113 113 GLU N N 15 122.741 0.024 . 1 . . . . 113 GLU N . 26653 1 410 . 1 1 114 114 ALA H H 1 8.154 0.004 . 1 . . . . 114 ALA H . 26653 1 411 . 1 1 114 114 ALA CA C 13 53.137 0.013 . 1 . . . . 114 ALA CA . 26653 1 412 . 1 1 114 114 ALA CB C 13 18.774 0.046 . 1 . . . . 114 ALA CB . 26653 1 413 . 1 1 114 114 ALA N N 15 124.815 0.012 . 1 . . . . 114 ALA N . 26653 1 414 . 1 1 115 115 MET H H 1 8.046 0.009 . 1 . . . . 115 MET H . 26653 1 415 . 1 1 115 115 MET CA C 13 55.917 0.089 . 1 . . . . 115 MET CA . 26653 1 416 . 1 1 115 115 MET CB C 13 32.325 0.019 . 1 . . . . 115 MET CB . 26653 1 417 . 1 1 115 115 MET N N 15 118.818 0.024 . 1 . . . . 115 MET N . 26653 1 418 . 1 1 116 116 ASN H H 1 8.167 0.005 . 1 . . . . 116 ASN H . 26653 1 419 . 1 1 116 116 ASN CA C 13 55.624 0.017 . 1 . . . . 116 ASN CA . 26653 1 420 . 1 1 116 116 ASN CB C 13 38.397 0.012 . 1 . . . . 116 ASN CB . 26653 1 421 . 1 1 116 116 ASN N N 15 119.786 0.043 . 1 . . . . 116 ASN N . 26653 1 422 . 1 1 117 117 VAL H H 1 7.862 0.009 . 1 . . . . 117 VAL H . 26653 1 423 . 1 1 117 117 VAL CA C 13 63.437 0.067 . 1 . . . . 117 VAL CA . 26653 1 424 . 1 1 117 117 VAL CB C 13 32.287 0.048 . 1 . . . . 117 VAL CB . 26653 1 425 . 1 1 117 117 VAL N N 15 120.501 0.054 . 1 . . . . 117 VAL N . 26653 1 426 . 1 1 118 118 ALA H H 1 8.000 0.007 . 1 . . . . 118 ALA H . 26653 1 427 . 1 1 118 118 ALA HA H 1 3.981 0.002 . 1 . . . . 118 ALA HA . 26653 1 428 . 1 1 118 118 ALA CA C 13 52.984 0.110 . 1 . . . . 118 ALA CA . 26653 1 429 . 1 1 118 118 ALA CB C 13 18.571 0.074 . 1 . . . . 118 ALA CB . 26653 1 430 . 1 1 118 118 ALA N N 15 125.948 0.032 . 1 . . . . 118 ALA N . 26653 1 431 . 1 1 119 119 LEU H H 1 7.847 0.011 . 1 . . . . 119 LEU H . 26653 1 432 . 1 1 119 119 LEU HA H 1 4.280 0.001 . 1 . . . . 119 LEU HA . 26653 1 433 . 1 1 119 119 LEU CA C 13 55.568 0.057 . 1 . . . . 119 LEU CA . 26653 1 434 . 1 1 119 119 LEU CB C 13 41.867 0.016 . 1 . . . . 119 LEU CB . 26653 1 435 . 1 1 119 119 LEU N N 15 120.507 0.034 . 1 . . . . 119 LEU N . 26653 1 436 . 1 1 120 120 LYS H H 1 7.894 0.009 . 1 . . . . 120 LYS H . 26653 1 437 . 1 1 120 120 LYS CA C 13 56.528 0.221 . 1 . . . . 120 LYS CA . 26653 1 438 . 1 1 120 120 LYS CB C 13 32.448 0.016 . 1 . . . . 120 LYS CB . 26653 1 439 . 1 1 120 120 LYS N N 15 121.632 0.076 . 1 . . . . 120 LYS N . 26653 1 440 . 1 1 121 121 ALA H H 1 7.924 0.008 . 1 . . . . 121 ALA H . 26653 1 441 . 1 1 121 121 ALA HA H 1 4.002 0.001 . 1 . . . . 121 ALA HA . 26653 1 442 . 1 1 121 121 ALA CA C 13 52.532 0.059 . 1 . . . . 121 ALA CA . 26653 1 443 . 1 1 121 121 ALA CB C 13 18.744 0.061 . 1 . . . . 121 ALA CB . 26653 1 444 . 1 1 121 121 ALA N N 15 124.269 0.019 . 1 . . . . 121 ALA N . 26653 1 445 . 1 1 122 122 LEU H H 1 7.934 0.007 . 1 . . . . 122 LEU H . 26653 1 446 . 1 1 122 122 LEU CA C 13 55.516 0.080 . 1 . . . . 122 LEU CA . 26653 1 447 . 1 1 122 122 LEU CB C 13 41.968 0.052 . 1 . . . . 122 LEU CB . 26653 1 448 . 1 1 122 122 LEU N N 15 121.149 0.019 . 1 . . . . 122 LEU N . 26653 1 449 . 1 1 123 123 GLY H H 1 8.138 0.006 . 1 . . . . 123 GLY H . 26653 1 450 . 1 1 123 123 GLY CA C 13 45.311 0.088 . 1 . . . . 123 GLY CA . 26653 1 451 . 1 1 123 123 GLY N N 15 108.920 0.007 . 1 . . . . 123 GLY N . 26653 1 452 . 1 1 124 124 THR H H 1 7.810 0.008 . 1 . . . . 124 THR H . 26653 1 453 . 1 1 124 124 THR CA C 13 61.930 0.001 . 1 . . . . 124 THR CA . 26653 1 454 . 1 1 124 124 THR CB C 13 69.844 0.001 . 1 . . . . 124 THR CB . 26653 1 455 . 1 1 124 124 THR N N 15 113.756 0.029 . 1 . . . . 124 THR N . 26653 1 456 . 1 1 125 125 LYS H H 1 8.254 0.008 . 1 . . . . 125 LYS H . 26653 1 457 . 1 1 125 125 LYS CA C 13 56.293 0.035 . 1 . . . . 125 LYS CA . 26653 1 458 . 1 1 125 125 LYS CB C 13 32.545 0.010 . 1 . . . . 125 LYS CB . 26653 1 459 . 1 1 125 125 LYS N N 15 123.711 0.038 . 1 . . . . 125 LYS N . 26653 1 460 . 1 1 126 126 GLU H H 1 8.238 0.004 . 1 . . . . 126 GLU H . 26653 1 461 . 1 1 126 126 GLU CA C 13 56.688 0.084 . 1 . . . . 126 GLU CA . 26653 1 462 . 1 1 126 126 GLU CB C 13 29.955 0.013 . 1 . . . . 126 GLU CB . 26653 1 463 . 1 1 126 126 GLU N N 15 122.010 0.008 . 1 . . . . 126 GLU N . 26653 1 464 . 1 1 127 127 GLY H H 1 8.221 0.007 . 1 . . . . 127 GLY H . 26653 1 465 . 1 1 127 127 GLY CA C 13 45.110 0.113 . 1 . . . . 127 GLY CA . 26653 1 466 . 1 1 127 127 GLY N N 15 110.031 0.021 . 1 . . . . 127 GLY N . 26653 1 467 . 1 1 128 128 ILE H H 1 7.768 0.011 . 1 . . . . 128 ILE H . 26653 1 468 . 1 1 128 128 ILE CA C 13 60.917 0.002 . 1 . . . . 128 ILE CA . 26653 1 469 . 1 1 128 128 ILE CB C 13 38.303 0.029 . 1 . . . . 128 ILE CB . 26653 1 470 . 1 1 128 128 ILE N N 15 120.345 0.009 . 1 . . . . 128 ILE N . 26653 1 471 . 1 1 129 129 LYS H H 1 8.254 0.005 . 1 . . . . 129 LYS H . 26653 1 472 . 1 1 129 129 LYS CA C 13 55.778 0.103 . 1 . . . . 129 LYS CA . 26653 1 473 . 1 1 129 129 LYS CB C 13 32.705 0.021 . 1 . . . . 129 LYS CB . 26653 1 474 . 1 1 129 129 LYS N N 15 126.626 0.010 . 1 . . . . 129 LYS N . 26653 1 475 . 1 1 130 130 GLU H H 1 8.332 0.008 . 1 . . . . 130 GLU H . 26653 1 476 . 1 1 130 130 GLU CA C 13 54.443 0.066 . 1 . . . . 130 GLU CA . 26653 1 477 . 1 1 130 130 GLU CB C 13 29.115 0.000 . 1 . . . . 130 GLU CB . 26653 1 478 . 1 1 130 130 GLU N N 15 124.569 0.036 . 1 . . . . 130 GLU N . 26653 1 479 . 1 1 131 131 PRO CA C 13 63.053 0.100 . 1 . . . . 131 PRO CA . 26653 1 480 . 1 1 131 131 PRO CB C 13 31.880 0.000 . 1 . . . . 131 PRO CB . 26653 1 481 . 1 1 132 132 GLU H H 1 8.395 0.008 . 1 . . . . 132 GLU H . 26653 1 482 . 1 1 132 132 GLU CA C 13 56.657 0.093 . 1 . . . . 132 GLU CA . 26653 1 483 . 1 1 132 132 GLU CB C 13 29.945 0.013 . 1 . . . . 132 GLU CB . 26653 1 484 . 1 1 132 132 GLU N N 15 121.255 0.023 . 1 . . . . 132 GLU N . 26653 1 485 . 1 1 133 133 SER H H 1 8.107 0.007 . 1 . . . . 133 SER H . 26653 1 486 . 1 1 133 133 SER CA C 13 57.984 0.090 . 1 . . . . 133 SER CA . 26653 1 487 . 1 1 133 133 SER CB C 13 63.564 0.006 . 1 . . . . 133 SER CB . 26653 1 488 . 1 1 133 133 SER N N 15 116.594 0.014 . 1 . . . . 133 SER N . 26653 1 489 . 1 1 134 134 PHE H H 1 8.084 0.007 . 1 . . . . 134 PHE H . 26653 1 490 . 1 1 134 134 PHE CA C 13 57.925 0.074 . 1 . . . . 134 PHE CA . 26653 1 491 . 1 1 134 134 PHE CB C 13 39.365 0.041 . 1 . . . . 134 PHE CB . 26653 1 492 . 1 1 134 134 PHE N N 15 122.389 0.020 . 1 . . . . 134 PHE N . 26653 1 493 . 1 1 135 135 ASN H H 1 8.085 0.007 . 1 . . . . 135 ASN H . 26653 1 494 . 1 1 135 135 ASN CA C 13 52.733 0.088 . 1 . . . . 135 ASN CA . 26653 1 495 . 1 1 135 135 ASN CB C 13 38.701 0.030 . 1 . . . . 135 ASN CB . 26653 1 496 . 1 1 135 135 ASN N N 15 121.222 0.021 . 1 . . . . 135 ASN N . 26653 1 497 . 1 1 136 136 ALA H H 1 8.022 0.007 . 1 . . . . 136 ALA H . 26653 1 498 . 1 1 136 136 ALA CA C 13 52.629 0.046 . 1 . . . . 136 ALA CA . 26653 1 499 . 1 1 136 136 ALA CB C 13 18.945 0.000 . 1 . . . . 136 ALA CB . 26653 1 500 . 1 1 136 136 ALA N N 15 125.003 0.010 . 1 . . . . 136 ALA N . 26653 1 501 . 1 1 137 137 ALA H H 1 7.998 0.010 . 1 . . . . 137 ALA H . 26653 1 502 . 1 1 137 137 ALA CA C 13 52.477 0.077 . 1 . . . . 137 ALA CA . 26653 1 503 . 1 1 137 137 ALA CB C 13 18.814 0.000 . 1 . . . . 137 ALA CB . 26653 1 504 . 1 1 137 137 ALA N N 15 122.881 0.016 . 1 . . . . 137 ALA N . 26653 1 505 . 1 1 138 138 VAL H H 1 7.850 0.009 . 1 . . . . 138 VAL H . 26653 1 506 . 1 1 138 138 VAL CA C 13 62.265 0.021 . 1 . . . . 138 VAL CA . 26653 1 507 . 1 1 138 138 VAL CB C 13 32.509 0.014 . 1 . . . . 138 VAL CB . 26653 1 508 . 1 1 138 138 VAL N N 15 119.737 0.028 . 1 . . . . 138 VAL N . 26653 1 509 . 1 1 139 139 GLN H H 1 8.250 0.008 . 1 . . . . 139 GLN H . 26653 1 510 . 1 1 139 139 GLN CA C 13 55.641 0.028 . 1 . . . . 139 GLN CA . 26653 1 511 . 1 1 139 139 GLN CB C 13 29.149 0.014 . 1 . . . . 139 GLN CB . 26653 1 512 . 1 1 139 139 GLN N N 15 124.492 0.017 . 1 . . . . 139 GLN N . 26653 1 513 . 1 1 140 140 GLU H H 1 8.372 0.009 . 1 . . . . 140 GLU H . 26653 1 514 . 1 1 140 140 GLU CA C 13 56.650 0.061 . 1 . . . . 140 GLU CA . 26653 1 515 . 1 1 140 140 GLU CB C 13 29.901 0.005 . 1 . . . . 140 GLU CB . 26653 1 516 . 1 1 140 140 GLU N N 15 123.236 0.023 . 1 . . . . 140 GLU N . 26653 1 517 . 1 1 141 141 THR H H 1 8.073 0.010 . 1 . . . . 141 THR H . 26653 1 518 . 1 1 141 141 THR CA C 13 61.954 0.036 . 1 . . . . 141 THR CA . 26653 1 519 . 1 1 141 141 THR CB C 13 69.816 0.003 . 1 . . . . 141 THR CB . 26653 1 520 . 1 1 141 141 THR N N 15 115.731 0.067 . 1 . . . . 141 THR N . 26653 1 521 . 1 1 142 142 GLU H H 1 8.250 0.009 . 1 . . . . 142 GLU H . 26653 1 522 . 1 1 142 142 GLU CA C 13 56.237 0.091 . 1 . . . . 142 GLU CA . 26653 1 523 . 1 1 142 142 GLU CB C 13 30.216 0.018 . 1 . . . . 142 GLU CB . 26653 1 524 . 1 1 142 142 GLU N N 15 123.766 0.042 . 1 . . . . 142 GLU N . 26653 1 525 . 1 1 143 143 ALA H H 1 8.221 0.012 . 1 . . . . 143 ALA H . 26653 1 526 . 1 1 143 143 ALA CA C 13 50.433 0.086 . 1 . . . . 143 ALA CA . 26653 1 527 . 1 1 143 143 ALA CB C 13 17.737 0.000 . 1 . . . . 143 ALA CB . 26653 1 528 . 1 1 143 143 ALA N N 15 127.185 0.038 . 1 . . . . 143 ALA N . 26653 1 529 . 1 1 144 144 PRO CA C 13 62.675 0.046 . 1 . . . . 144 PRO CA . 26653 1 530 . 1 1 144 144 PRO CB C 13 31.236 0.000 . 1 . . . . 144 PRO CB . 26653 1 531 . 1 1 145 145 TYR H H 1 8.053 0.010 . 1 . . . . 145 TYR H . 26653 1 532 . 1 1 145 145 TYR CA C 13 57.865 0.099 . 1 . . . . 145 TYR CA . 26653 1 533 . 1 1 145 145 TYR CB C 13 38.642 0.010 . 1 . . . . 145 TYR CB . 26653 1 534 . 1 1 145 145 TYR N N 15 120.861 0.054 . 1 . . . . 145 TYR N . 26653 1 535 . 1 1 146 146 ILE H H 1 7.704 0.008 . 1 . . . . 146 ILE H . 26653 1 536 . 1 1 146 146 ILE CA C 13 60.306 0.117 . 1 . . . . 146 ILE CA . 26653 1 537 . 1 1 146 146 ILE CB C 13 38.401 0.022 . 1 . . . . 146 ILE CB . 26653 1 538 . 1 1 146 146 ILE N N 15 125.155 0.022 . 1 . . . . 146 ILE N . 26653 1 539 . 1 1 147 147 SER H H 1 8.062 0.014 . 1 . . . . 147 SER H . 26653 1 540 . 1 1 147 147 SER CA C 13 58.074 0.016 . 1 . . . . 147 SER CA . 26653 1 541 . 1 1 147 147 SER CB C 13 63.695 0.030 . 1 . . . . 147 SER CB . 26653 1 542 . 1 1 147 147 SER N N 15 120.320 0.040 . 1 . . . . 147 SER N . 26653 1 543 . 1 1 148 148 ILE H H 1 7.984 0.001 . 1 . . . . 148 ILE H . 26653 1 544 . 1 1 148 148 ILE CA C 13 60.915 0.037 . 1 . . . . 148 ILE CA . 26653 1 545 . 1 1 148 148 ILE CB C 13 38.476 0.001 . 1 . . . . 148 ILE CB . 26653 1 546 . 1 1 148 148 ILE N N 15 123.246 0.019 . 1 . . . . 148 ILE N . 26653 1 547 . 1 1 149 149 ALA H H 1 8.166 0.007 . 1 . . . . 149 ALA H . 26653 1 548 . 1 1 149 149 ALA CA C 13 52.668 0.046 . 1 . . . . 149 ALA CA . 26653 1 549 . 1 1 149 149 ALA CB C 13 18.936 0.042 . 1 . . . . 149 ALA CB . 26653 1 550 . 1 1 149 149 ALA N N 15 128.162 0.029 . 1 . . . . 149 ALA N . 26653 1 551 . 1 1 150 150 CYS H H 1 8.148 0.006 . 1 . . . . 150 CYS H . 26653 1 552 . 1 1 150 150 CYS CA C 13 58.614 0.083 . 1 . . . . 150 CYS CA . 26653 1 553 . 1 1 150 150 CYS CB C 13 27.894 0.004 . 1 . . . . 150 CYS CB . 26653 1 554 . 1 1 150 150 CYS N N 15 118.954 0.029 . 1 . . . . 150 CYS N . 26653 1 555 . 1 1 151 151 ASP H H 1 8.202 0.004 . 1 . . . . 151 ASP H . 26653 1 556 . 1 1 151 151 ASP CA C 13 54.479 0.033 . 1 . . . . 151 ASP CA . 26653 1 557 . 1 1 151 151 ASP CB C 13 40.731 0.024 . 1 . . . . 151 ASP CB . 26653 1 558 . 1 1 151 151 ASP N N 15 122.819 0.014 . 1 . . . . 151 ASP N . 26653 1 559 . 1 1 158 158 LEU CA C 13 54.972 0.141 . 1 . . . . 158 LEU CA . 26653 1 560 . 1 1 158 158 LEU CB C 13 42.153 0.000 . 1 . . . . 158 LEU CB . 26653 1 561 . 1 1 159 159 SER H H 1 8.211 0.007 . 1 . . . . 159 SER H . 26653 1 562 . 1 1 159 159 SER HA H 1 3.990 0.000 . 1 . . . . 159 SER HA . 26653 1 563 . 1 1 159 159 SER CA C 13 58.228 0.059 . 1 . . . . 159 SER CA . 26653 1 564 . 1 1 159 159 SER CB C 13 63.661 0.015 . 1 . . . . 159 SER CB . 26653 1 565 . 1 1 159 159 SER N N 15 116.949 0.015 . 1 . . . . 159 SER N . 26653 1 566 . 1 1 160 160 THR H H 1 7.976 0.010 . 1 . . . . 160 THR H . 26653 1 567 . 1 1 160 160 THR HA H 1 4.079 0.003 . 1 . . . . 160 THR HA . 26653 1 568 . 1 1 160 160 THR CA C 13 61.493 0.081 . 1 . . . . 160 THR CA . 26653 1 569 . 1 1 160 160 THR CB C 13 69.557 0.005 . 1 . . . . 160 THR CB . 26653 1 570 . 1 1 160 160 THR N N 15 115.539 0.016 . 1 . . . . 160 THR N . 26653 1 571 . 1 1 161 161 GLU H H 1 8.097 0.008 . 1 . . . . 161 GLU H . 26653 1 572 . 1 1 161 161 GLU HA H 1 4.306 0.001 . 1 . . . . 161 GLU HA . 26653 1 573 . 1 1 161 161 GLU CA C 13 54.255 0.062 . 1 . . . . 161 GLU CA . 26653 1 574 . 1 1 161 161 GLU CB C 13 29.378 0.000 . 1 . . . . 161 GLU CB . 26653 1 575 . 1 1 161 161 GLU N N 15 124.547 0.043 . 1 . . . . 161 GLU N . 26653 1 576 . 1 1 162 162 PRO HA H 1 4.143 0.001 . 1 . . . . 162 PRO HA . 26653 1 577 . 1 1 162 162 PRO CA C 13 62.554 0.000 . 1 . . . . 162 PRO CA . 26653 1 578 . 1 1 162 162 PRO CB C 13 31.934 0.000 . 1 . . . . 162 PRO CB . 26653 1 579 . 1 1 162 162 PRO N N 15 137.209 0.115 . 1 . . . . 162 PRO N . 26653 1 580 . 1 1 163 163 SER H H 1 8.329 0.007 . 1 . . . . 163 SER H . 26653 1 581 . 1 1 163 163 SER HA H 1 4.443 0.001 . 1 . . . . 163 SER HA . 26653 1 582 . 1 1 163 163 SER CA C 13 56.382 0.028 . 1 . . . . 163 SER CA . 26653 1 583 . 1 1 163 163 SER CB C 13 63.316 0.000 . 1 . . . . 163 SER CB . 26653 1 584 . 1 1 163 163 SER N N 15 117.889 0.046 . 1 . . . . 163 SER N . 26653 1 585 . 1 1 164 164 PRO HA H 1 4.070 0.001 . 1 . . . . 164 PRO HA . 26653 1 586 . 1 1 164 164 PRO CA C 13 63.200 0.118 . 1 . . . . 164 PRO CA . 26653 1 587 . 1 1 164 164 PRO CB C 13 31.783 0.000 . 1 . . . . 164 PRO CB . 26653 1 588 . 1 1 164 164 PRO N N 15 137.944 0.023 . 1 . . . . 164 PRO N . 26653 1 589 . 1 1 165 165 ASP H H 1 8.057 0.008 . 1 . . . . 165 ASP H . 26653 1 590 . 1 1 165 165 ASP HA H 1 4.244 0.004 . 1 . . . . 165 ASP HA . 26653 1 591 . 1 1 165 165 ASP CA C 13 53.861 0.121 . 1 . . . . 165 ASP CA . 26653 1 592 . 1 1 165 165 ASP CB C 13 40.850 0.095 . 1 . . . . 165 ASP CB . 26653 1 593 . 1 1 165 165 ASP N N 15 119.753 0.017 . 1 . . . . 165 ASP N . 26653 1 594 . 1 1 166 166 PHE H H 1 8.010 0.009 . 1 . . . . 166 PHE H . 26653 1 595 . 1 1 166 166 PHE HA H 1 4.172 0.000 . 1 . . . . 166 PHE HA . 26653 1 596 . 1 1 166 166 PHE CA C 13 57.983 0.084 . 1 . . . . 166 PHE CA . 26653 1 597 . 1 1 166 166 PHE CB C 13 38.879 0.005 . 1 . . . . 166 PHE CB . 26653 1 598 . 1 1 166 166 PHE N N 15 121.521 0.087 . 1 . . . . 166 PHE N . 26653 1 599 . 1 1 167 167 SER H H 1 8.057 0.005 . 1 . . . . 167 SER H . 26653 1 600 . 1 1 167 167 SER HA H 1 4.028 0.001 . 1 . . . . 167 SER HA . 26653 1 601 . 1 1 167 167 SER CA C 13 58.786 0.265 . 1 . . . . 167 SER CA . 26653 1 602 . 1 1 167 167 SER CB C 13 63.855 0.054 . 1 . . . . 167 SER CB . 26653 1 603 . 1 1 167 167 SER N N 15 117.088 0.045 . 1 . . . . 167 SER N . 26653 1 604 . 1 1 168 168 ASN H H 1 8.038 0.005 . 1 . . . . 168 ASN H . 26653 1 605 . 1 1 168 168 ASN HA H 1 4.405 0.001 . 1 . . . . 168 ASN HA . 26653 1 606 . 1 1 168 168 ASN CA C 13 53.177 0.087 . 1 . . . . 168 ASN CA . 26653 1 607 . 1 1 168 168 ASN CB C 13 38.442 0.051 . 1 . . . . 168 ASN CB . 26653 1 608 . 1 1 168 168 ASN N N 15 120.167 0.054 . 1 . . . . 168 ASN N . 26653 1 609 . 1 1 169 169 TYR H H 1 7.885 0.009 . 1 . . . . 169 TYR H . 26653 1 610 . 1 1 169 169 TYR HA H 1 4.215 0.000 . 1 . . . . 169 TYR HA . 26653 1 611 . 1 1 169 169 TYR CA C 13 58.557 0.064 . 1 . . . . 169 TYR CA . 26653 1 612 . 1 1 169 169 TYR CB C 13 38.252 0.060 . 1 . . . . 169 TYR CB . 26653 1 613 . 1 1 169 169 TYR N N 15 120.909 0.019 . 1 . . . . 169 TYR N . 26653 1 614 . 1 1 170 170 SER H H 1 7.890 0.009 . 1 . . . . 170 SER H . 26653 1 615 . 1 1 170 170 SER HA H 1 4.045 0.000 . 1 . . . . 170 SER HA . 26653 1 616 . 1 1 170 170 SER CA C 13 58.488 0.091 . 1 . . . . 170 SER CA . 26653 1 617 . 1 1 170 170 SER CB C 13 63.743 0.057 . 1 . . . . 170 SER CB . 26653 1 618 . 1 1 170 170 SER N N 15 117.248 0.011 . 1 . . . . 170 SER N . 26653 1 619 . 1 1 171 171 GLU H H 1 8.065 0.001 . 1 . . . . 171 GLU H . 26653 1 620 . 1 1 171 171 GLU CA C 13 56.665 0.100 . 1 . . . . 171 GLU CA . 26653 1 621 . 1 1 171 171 GLU CB C 13 29.882 0.005 . 1 . . . . 171 GLU CB . 26653 1 622 . 1 1 171 171 GLU N N 15 122.582 0.041 . 1 . . . . 171 GLU N . 26653 1 623 . 1 1 172 172 ILE H H 1 7.775 0.009 . 1 . . . . 172 ILE H . 26653 1 624 . 1 1 172 172 ILE CA C 13 61.479 0.046 . 1 . . . . 172 ILE CA . 26653 1 625 . 1 1 172 172 ILE CB C 13 38.123 0.027 . 1 . . . . 172 ILE CB . 26653 1 626 . 1 1 172 172 ILE N N 15 121.356 0.017 . 1 . . . . 172 ILE N . 26653 1 627 . 1 1 173 173 ALA H H 1 8.041 0.008 . 1 . . . . 173 ALA H . 26653 1 628 . 1 1 173 173 ALA CA C 13 52.690 0.072 . 1 . . . . 173 ALA CA . 26653 1 629 . 1 1 173 173 ALA CB C 13 18.737 0.032 . 1 . . . . 173 ALA CB . 26653 1 630 . 1 1 173 173 ALA N N 15 127.386 0.033 . 1 . . . . 173 ALA N . 26653 1 631 . 1 1 174 174 LYS H H 1 7.861 0.012 . 1 . . . . 174 LYS H . 26653 1 632 . 1 1 174 174 LYS CA C 13 56.434 0.066 . 1 . . . . 174 LYS CA . 26653 1 633 . 1 1 174 174 LYS CB C 13 32.589 0.021 . 1 . . . . 174 LYS CB . 26653 1 634 . 1 1 174 174 LYS N N 15 120.048 0.018 . 1 . . . . 174 LYS N . 26653 1 635 . 1 1 175 175 PHE H H 1 7.932 0.007 . 1 . . . . 175 PHE H . 26653 1 636 . 1 1 175 175 PHE CA C 13 57.735 0.035 . 1 . . . . 175 PHE CA . 26653 1 637 . 1 1 175 175 PHE CB C 13 39.346 0.031 . 1 . . . . 175 PHE CB . 26653 1 638 . 1 1 175 175 PHE N N 15 120.828 0.037 . 1 . . . . 175 PHE N . 26653 1 639 . 1 1 176 176 GLU H H 1 8.067 0.004 . 1 . . . . 176 GLU H . 26653 1 640 . 1 1 176 176 GLU CA C 13 56.630 0.164 . 1 . . . . 176 GLU CA . 26653 1 641 . 1 1 176 176 GLU CB C 13 30.158 0.031 . 1 . . . . 176 GLU CB . 26653 1 642 . 1 1 176 176 GLU N N 15 122.844 0.010 . 1 . . . . 176 GLU N . 26653 1 643 . 1 1 177 177 LYS H H 1 8.091 0.006 . 1 . . . . 177 LYS H . 26653 1 644 . 1 1 177 177 LYS CA C 13 56.149 0.133 . 1 . . . . 177 LYS CA . 26653 1 645 . 1 1 177 177 LYS CB C 13 32.748 0.007 . 1 . . . . 177 LYS CB . 26653 1 646 . 1 1 177 177 LYS N N 15 122.576 0.014 . 1 . . . . 177 LYS N . 26653 1 647 . 1 1 178 178 SER H H 1 8.178 0.008 . 1 . . . . 178 SER H . 26653 1 648 . 1 1 178 178 SER CA C 13 58.248 0.022 . 1 . . . . 178 SER CA . 26653 1 649 . 1 1 178 178 SER CB C 13 63.673 0.000 . 1 . . . . 178 SER CB . 26653 1 650 . 1 1 178 178 SER N N 15 117.839 0.014 . 1 . . . . 178 SER N . 26653 1 651 . 1 1 179 179 VAL H H 1 8.045 0.010 . 1 . . . . 179 VAL H . 26653 1 652 . 1 1 179 179 VAL HA H 1 4.153 0.001 . 1 . . . . 179 VAL HA . 26653 1 653 . 1 1 179 179 VAL CA C 13 59.739 0.068 . 1 . . . . 179 VAL CA . 26653 1 654 . 1 1 179 179 VAL CB C 13 32.393 0.000 . 1 . . . . 179 VAL CB . 26653 1 655 . 1 1 179 179 VAL N N 15 123.385 0.008 . 1 . . . . 179 VAL N . 26653 1 656 . 1 1 180 180 PRO HA H 1 4.092 0.005 . 1 . . . . 180 PRO HA . 26653 1 657 . 1 1 180 180 PRO CA C 13 63.055 0.048 . 1 . . . . 180 PRO CA . 26653 1 658 . 1 1 180 180 PRO CB C 13 31.886 0.000 . 1 . . . . 180 PRO CB . 26653 1 659 . 1 1 180 180 PRO N N 15 139.432 0.026 . 1 . . . . 180 PRO N . 26653 1 660 . 1 1 181 181 GLU H H 1 8.347 0.008 . 1 . . . . 181 GLU H . 26653 1 661 . 1 1 181 181 GLU HA H 1 3.862 0.000 . 1 . . . . 181 GLU HA . 26653 1 662 . 1 1 181 181 GLU CA C 13 56.604 0.053 . 1 . . . . 181 GLU CA . 26653 1 663 . 1 1 181 181 GLU CB C 13 29.993 0.000 . 1 . . . . 181 GLU CB . 26653 1 664 . 1 1 181 181 GLU N N 15 121.162 0.045 . 1 . . . . 181 GLU N . 26653 1 665 . 1 1 182 182 HIS H H 1 8.108 0.003 . 1 . . . . 182 HIS H . 26653 1 666 . 1 1 182 182 HIS HA H 1 4.347 0.001 . 1 . . . . 182 HIS HA . 26653 1 667 . 1 1 182 182 HIS CA C 13 55.705 0.093 . 1 . . . . 182 HIS CA . 26653 1 668 . 1 1 182 182 HIS CB C 13 30.086 0.033 . 1 . . . . 182 HIS CB . 26653 1 669 . 1 1 182 182 HIS N N 15 119.623 0.060 . 1 . . . . 182 HIS N . 26653 1 670 . 1 1 183 183 ALA H H 1 8.103 0.004 . 1 . . . . 183 ALA H . 26653 1 671 . 1 1 183 183 ALA HA H 1 4.004 0.003 . 1 . . . . 183 ALA HA . 26653 1 672 . 1 1 183 183 ALA CA C 13 52.305 0.070 . 1 . . . . 183 ALA CA . 26653 1 673 . 1 1 183 183 ALA CB C 13 19.222 0.009 . 1 . . . . 183 ALA CB . 26653 1 674 . 1 1 183 183 ALA N N 15 125.646 0.053 . 1 . . . . 183 ALA N . 26653 1 675 . 1 1 184 184 GLU H H 1 8.283 0.005 . 1 . . . . 184 GLU H . 26653 1 676 . 1 1 184 184 GLU HA H 1 3.929 0.001 . 1 . . . . 184 GLU HA . 26653 1 677 . 1 1 184 184 GLU CA C 13 56.320 0.025 . 1 . . . . 184 GLU CA . 26653 1 678 . 1 1 184 184 GLU CB C 13 29.900 0.030 . 1 . . . . 184 GLU CB . 26653 1 679 . 1 1 184 184 GLU N N 15 120.419 0.011 . 1 . . . . 184 GLU N . 26653 1 680 . 1 1 185 185 LEU H H 1 8.126 0.006 . 1 . . . . 185 LEU H . 26653 1 681 . 1 1 185 185 LEU HA H 1 4.302 0.004 . 1 . . . . 185 LEU HA . 26653 1 682 . 1 1 185 185 LEU CA C 13 54.783 0.176 . 1 . . . . 185 LEU CA . 26653 1 683 . 1 1 185 185 LEU CB C 13 41.867 0.008 . 1 . . . . 185 LEU CB . 26653 1 684 . 1 1 185 185 LEU N N 15 123.925 0.015 . 1 . . . . 185 LEU N . 26653 1 685 . 1 1 186 186 VAL H H 1 8.054 0.007 . 1 . . . . 186 VAL H . 26653 1 686 . 1 1 186 186 VAL HA H 1 3.823 0.000 . 1 . . . . 186 VAL HA . 26653 1 687 . 1 1 186 186 VAL CA C 13 62.141 0.014 . 1 . . . . 186 VAL CA . 26653 1 688 . 1 1 186 186 VAL CB C 13 32.483 0.003 . 1 . . . . 186 VAL CB . 26653 1 689 . 1 1 186 186 VAL N N 15 122.893 0.023 . 1 . . . . 186 VAL N . 26653 1 690 . 1 1 187 187 GLU H H 1 8.388 0.007 . 1 . . . . 187 GLU H . 26653 1 691 . 1 1 187 187 GLU HA H 1 4.004 0.003 . 1 . . . . 187 GLU HA . 26653 1 692 . 1 1 187 187 GLU CA C 13 56.305 0.043 . 1 . . . . 187 GLU CA . 26653 1 693 . 1 1 187 187 GLU CB C 13 30.230 0.011 . 1 . . . . 187 GLU CB . 26653 1 694 . 1 1 187 187 GLU N N 15 125.746 0.029 . 1 . . . . 187 GLU N . 26653 1 695 . 1 1 188 188 ASP H H 1 8.286 0.006 . 1 . . . . 188 ASP H . 26653 1 696 . 1 1 188 188 ASP HA H 1 4.339 0.001 . 1 . . . . 188 ASP HA . 26653 1 697 . 1 1 188 188 ASP CA C 13 54.215 0.076 . 1 . . . . 188 ASP CA . 26653 1 698 . 1 1 188 188 ASP CB C 13 40.976 0.032 . 1 . . . . 188 ASP CB . 26653 1 699 . 1 1 188 188 ASP N N 15 122.515 0.015 . 1 . . . . 188 ASP N . 26653 1 700 . 1 1 189 189 SER H H 1 8.114 0.006 . 1 . . . . 189 SER H . 26653 1 701 . 1 1 189 189 SER HA H 1 4.201 0.000 . 1 . . . . 189 SER HA . 26653 1 702 . 1 1 189 189 SER CA C 13 57.989 0.069 . 1 . . . . 189 SER CA . 26653 1 703 . 1 1 189 189 SER CB C 13 63.820 0.013 . 1 . . . . 189 SER CB . 26653 1 704 . 1 1 189 189 SER N N 15 116.736 0.024 . 1 . . . . 189 SER N . 26653 1 705 . 1 1 190 190 SER H H 1 8.277 0.006 . 1 . . . . 190 SER H . 26653 1 706 . 1 1 190 190 SER HA H 1 4.471 0.001 . 1 . . . . 190 SER HA . 26653 1 707 . 1 1 190 190 SER CA C 13 56.543 0.043 . 1 . . . . 190 SER CA . 26653 1 708 . 1 1 190 190 SER CB C 13 63.140 0.000 . 1 . . . . 190 SER CB . 26653 1 709 . 1 1 190 190 SER N N 15 119.199 0.080 . 1 . . . . 190 SER N . 26653 1 710 . 1 1 191 191 PRO HA H 1 4.164 0.000 . 1 . . . . 191 PRO HA . 26653 1 711 . 1 1 191 191 PRO CA C 13 63.135 0.040 . 1 . . . . 191 PRO CA . 26653 1 712 . 1 1 191 191 PRO CB C 13 31.876 0.000 . 1 . . . . 191 PRO CB . 26653 1 713 . 1 1 191 191 PRO N N 15 137.957 0.051 . 1 . . . . 191 PRO N . 26653 1 714 . 1 1 192 192 GLU H H 1 8.344 0.008 . 1 . . . . 192 GLU H . 26653 1 715 . 1 1 192 192 GLU HA H 1 3.976 0.005 . 1 . . . . 192 GLU HA . 26653 1 716 . 1 1 192 192 GLU CA C 13 56.615 0.080 . 1 . . . . 192 GLU CA . 26653 1 717 . 1 1 192 192 GLU CB C 13 29.917 0.021 . 1 . . . . 192 GLU CB . 26653 1 718 . 1 1 192 192 GLU N N 15 120.722 0.041 . 1 . . . . 192 GLU N . 26653 1 719 . 1 1 193 193 SER H H 1 8.070 0.009 . 1 . . . . 193 SER H . 26653 1 720 . 1 1 193 193 SER HA H 1 4.161 0.004 . 1 . . . . 193 SER HA . 26653 1 721 . 1 1 193 193 SER CA C 13 58.141 0.063 . 1 . . . . 193 SER CA . 26653 1 722 . 1 1 193 193 SER CB C 13 63.933 0.010 . 1 . . . . 193 SER CB . 26653 1 723 . 1 1 193 193 SER N N 15 116.885 0.051 . 1 . . . . 193 SER N . 26653 1 724 . 1 1 194 194 GLU H H 1 8.194 0.005 . 1 . . . . 194 GLU H . 26653 1 725 . 1 1 194 194 GLU HA H 1 4.298 0.001 . 1 . . . . 194 GLU HA . 26653 1 726 . 1 1 194 194 GLU CA C 13 54.324 0.012 . 1 . . . . 194 GLU CA . 26653 1 727 . 1 1 194 194 GLU CB C 13 29.373 0.000 . 1 . . . . 194 GLU CB . 26653 1 728 . 1 1 194 194 GLU N N 15 123.924 0.030 . 1 . . . . 194 GLU N . 26653 1 729 . 1 1 195 195 PRO HA H 1 4.158 0.001 . 1 . . . . 195 PRO HA . 26653 1 730 . 1 1 195 195 PRO CA C 13 62.960 0.049 . 1 . . . . 195 PRO CA . 26653 1 731 . 1 1 195 195 PRO CB C 13 32.190 0.000 . 1 . . . . 195 PRO CB . 26653 1 732 . 1 1 195 195 PRO N N 15 137.669 0.008 . 1 . . . . 195 PRO N . 26653 1 733 . 1 1 196 196 VAL H H 1 8.081 0.006 . 1 . . . . 196 VAL H . 26653 1 734 . 1 1 196 196 VAL HA H 1 3.775 0.000 . 1 . . . . 196 VAL HA . 26653 1 735 . 1 1 196 196 VAL CA C 13 62.120 0.064 . 1 . . . . 196 VAL CA . 26653 1 736 . 1 1 196 196 VAL CB C 13 32.607 0.001 . 1 . . . . 196 VAL CB . 26653 1 737 . 1 1 196 196 VAL N N 15 120.557 0.041 . 1 . . . . 196 VAL N . 26653 1 738 . 1 1 197 197 ASP H H 1 8.186 0.006 . 1 . . . . 197 ASP H . 26653 1 739 . 1 1 197 197 ASP HA H 1 4.300 0.000 . 1 . . . . 197 ASP HA . 26653 1 740 . 1 1 197 197 ASP CA C 13 54.823 0.305 . 1 . . . . 197 ASP CA . 26653 1 741 . 1 1 197 197 ASP CB C 13 40.870 0.033 . 1 . . . . 197 ASP CB . 26653 1 742 . 1 1 197 197 ASP N N 15 124.067 0.052 . 1 . . . . 197 ASP N . 26653 1 743 . 1 1 198 198 LEU H H 1 8.010 0.006 . 1 . . . . 198 LEU H . 26653 1 744 . 1 1 198 198 LEU CA C 13 56.310 0.012 . 1 . . . . 198 LEU CA . 26653 1 745 . 1 1 198 198 LEU CB C 13 41.705 0.002 . 1 . . . . 198 LEU CB . 26653 1 746 . 1 1 198 198 LEU N N 15 123.515 0.016 . 1 . . . . 198 LEU N . 26653 1 747 . 1 1 199 199 PHE H H 1 8.113 0.006 . 1 . . . . 199 PHE H . 26653 1 748 . 1 1 199 199 PHE HA H 1 4.199 0.002 . 1 . . . . 199 PHE HA . 26653 1 749 . 1 1 199 199 PHE CA C 13 57.981 0.053 . 1 . . . . 199 PHE CA . 26653 1 750 . 1 1 199 199 PHE CB C 13 38.445 0.004 . 1 . . . . 199 PHE CB . 26653 1 751 . 1 1 199 199 PHE N N 15 119.824 0.032 . 1 . . . . 199 PHE N . 26653 1 752 . 1 1 200 200 LEU H H 1 7.659 0.009 . 1 . . . . 200 LEU H . 26653 1 753 . 1 1 200 200 LEU CA C 13 55.317 0.011 . 1 . . . . 200 LEU CA . 26653 1 754 . 1 1 200 200 LEU CB C 13 41.970 0.013 . 1 . . . . 200 LEU CB . 26653 1 755 . 1 1 200 200 LEU N N 15 122.507 0.027 . 1 . . . . 200 LEU N . 26653 1 756 . 1 1 201 201 GLU H H 1 8.051 0.008 . 1 . . . . 201 GLU H . 26653 1 757 . 1 1 201 201 GLU CA C 13 56.792 0.016 . 1 . . . . 201 GLU CA . 26653 1 758 . 1 1 201 201 GLU CB C 13 29.866 0.000 . 1 . . . . 201 GLU CB . 26653 1 759 . 1 1 201 201 GLU N N 15 120.714 0.031 . 1 . . . . 201 GLU N . 26653 1 stop_ save_