data_6685 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6685 _Entry.Title ; NMR Structure of AlkB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-06-13 _Entry.Accession_date 2005-06-13 _Entry.Last_release_date 2005-06-13 _Entry.Original_release_date 2005-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Tara Shivarattan . . . . 6685 2 Stephen Matthews J. . . . 6685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 618 6685 '15N chemical shifts' 167 6685 '1H chemical shifts' 735 6685 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 . . 2005-11-07 . original BMRB . 6685 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6685 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16258838 _Citation.Full_citation . _Citation.Title ; Resonance Assignments of Escherichia Coli AlkB: A Key 2-oxoglutarate and Fe(II) Dependent Dioxygenase of the Adaptive DNA-repair Response ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 2 _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 138 _Citation.Page_last 138 _Citation.Year 2005 _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 Tara Shivarattan . . . . 6685 1 2 'Ho Ann' Chen . . . . 6685 1 3 Pete Simpson . . . . 6685 1 4 Barbara Sedgwick . . . . 6685 1 5 Stephen Matthews . . . . 6685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6685 _Assembly.ID 1 _Assembly.Name AlkB _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 AlkB 1 $AlkB . . no . no no . . . 6685 1 2 'IRON (II) ION' 2 $FE2 . . no . no no . . . 6685 1 3 2-oxoglutarate 3 $entity_AKG . . no . no no . . . 6685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AlkB _Entity.Sf_category entity _Entity.Sf_framecode AlkB _Entity.Entry_ID 6685 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AlkB _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 ; MALDLFADGEPWQEPLAAGA VILRRFAFNAAEQLIRDIND VASQSPFRQMVTPGGYTMSV AMTNCGHLGWTSHRQGYLYS PIDPQTNKPWPAMPQSFHNL CQRAATAAGYPDFQPDACLI NRYAPGAKLSLHQDKDEPDL RAPIVSVSLGLPAIFQFGGL KRNDPLKRLLLEHGDVVVWG GESRLFYHGIQPLKAGFHPL TTDCRYNLTFRQAGKKE ; _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . MET . 6685 1 2 . ALA . 6685 1 3 . LEU . 6685 1 4 . ASP . 6685 1 5 . LEU . 6685 1 6 . PHE . 6685 1 7 . ALA . 6685 1 8 . ASP . 6685 1 9 . GLY . 6685 1 10 . GLU . 6685 1 11 . PRO . 6685 1 12 . TRP . 6685 1 13 . GLN . 6685 1 14 . GLU . 6685 1 15 . PRO . 6685 1 16 . LEU . 6685 1 17 . ALA . 6685 1 18 . ALA . 6685 1 19 . GLY . 6685 1 20 . ALA . 6685 1 21 . VAL . 6685 1 22 . ILE . 6685 1 23 . LEU . 6685 1 24 . ARG . 6685 1 25 . ARG . 6685 1 26 . PHE . 6685 1 27 . ALA . 6685 1 28 . PHE . 6685 1 29 . ASN . 6685 1 30 . ALA . 6685 1 31 . ALA . 6685 1 32 . GLU . 6685 1 33 . GLN . 6685 1 34 . LEU . 6685 1 35 . ILE . 6685 1 36 . ARG . 6685 1 37 . ASP . 6685 1 38 . ILE . 6685 1 39 . ASN . 6685 1 40 . ASP . 6685 1 41 . VAL . 6685 1 42 . ALA . 6685 1 43 . SER . 6685 1 44 . GLN . 6685 1 45 . SER . 6685 1 46 . PRO . 6685 1 47 . PHE . 6685 1 48 . ARG . 6685 1 49 . GLN . 6685 1 50 . MET . 6685 1 51 . VAL . 6685 1 52 . THR . 6685 1 53 . PRO . 6685 1 54 . GLY . 6685 1 55 . GLY . 6685 1 56 . TYR . 6685 1 57 . THR . 6685 1 58 . MET . 6685 1 59 . SER . 6685 1 60 . VAL . 6685 1 61 . ALA . 6685 1 62 . MET . 6685 1 63 . THR . 6685 1 64 . ASN . 6685 1 65 . CYS . 6685 1 66 . GLY . 6685 1 67 . HIS . 6685 1 68 . LEU . 6685 1 69 . GLY . 6685 1 70 . TRP . 6685 1 71 . THR . 6685 1 72 . SER . 6685 1 73 . HIS . 6685 1 74 . ARG . 6685 1 75 . GLN . 6685 1 76 . GLY . 6685 1 77 . TYR . 6685 1 78 . LEU . 6685 1 79 . TYR . 6685 1 80 . SER . 6685 1 81 . PRO . 6685 1 82 . ILE . 6685 1 83 . ASP . 6685 1 84 . PRO . 6685 1 85 . GLN . 6685 1 86 . THR . 6685 1 87 . ASN . 6685 1 88 . LYS . 6685 1 89 . PRO . 6685 1 90 . TRP . 6685 1 91 . PRO . 6685 1 92 . ALA . 6685 1 93 . MET . 6685 1 94 . PRO . 6685 1 95 . GLN . 6685 1 96 . SER . 6685 1 97 . PHE . 6685 1 98 . HIS . 6685 1 99 . ASN . 6685 1 100 . LEU . 6685 1 101 . CYS . 6685 1 102 . GLN . 6685 1 103 . ARG . 6685 1 104 . ALA . 6685 1 105 . ALA . 6685 1 106 . THR . 6685 1 107 . ALA . 6685 1 108 . ALA . 6685 1 109 . GLY . 6685 1 110 . TYR . 6685 1 111 . PRO . 6685 1 112 . ASP . 6685 1 113 . PHE . 6685 1 114 . GLN . 6685 1 115 . PRO . 6685 1 116 . ASP . 6685 1 117 . ALA . 6685 1 118 . CYS . 6685 1 119 . LEU . 6685 1 120 . ILE . 6685 1 121 . ASN . 6685 1 122 . ARG . 6685 1 123 . TYR . 6685 1 124 . ALA . 6685 1 125 . PRO . 6685 1 126 . GLY . 6685 1 127 . ALA . 6685 1 128 . LYS . 6685 1 129 . LEU . 6685 1 130 . SER . 6685 1 131 . LEU . 6685 1 132 . HIS . 6685 1 133 . GLN . 6685 1 134 . ASP . 6685 1 135 . LYS . 6685 1 136 . ASP . 6685 1 137 . GLU . 6685 1 138 . PRO . 6685 1 139 . ASP . 6685 1 140 . LEU . 6685 1 141 . ARG . 6685 1 142 . ALA . 6685 1 143 . PRO . 6685 1 144 . ILE . 6685 1 145 . VAL . 6685 1 146 . SER . 6685 1 147 . VAL . 6685 1 148 . SER . 6685 1 149 . LEU . 6685 1 150 . GLY . 6685 1 151 . LEU . 6685 1 152 . PRO . 6685 1 153 . ALA . 6685 1 154 . ILE . 6685 1 155 . PHE . 6685 1 156 . GLN . 6685 1 157 . PHE . 6685 1 158 . GLY . 6685 1 159 . GLY . 6685 1 160 . LEU . 6685 1 161 . LYS . 6685 1 162 . ARG . 6685 1 163 . ASN . 6685 1 164 . ASP . 6685 1 165 . PRO . 6685 1 166 . LEU . 6685 1 167 . LYS . 6685 1 168 . ARG . 6685 1 169 . LEU . 6685 1 170 . LEU . 6685 1 171 . LEU . 6685 1 172 . GLU . 6685 1 173 . HIS . 6685 1 174 . GLY . 6685 1 175 . ASP . 6685 1 176 . VAL . 6685 1 177 . VAL . 6685 1 178 . VAL . 6685 1 179 . TRP . 6685 1 180 . GLY . 6685 1 181 . GLY . 6685 1 182 . GLU . 6685 1 183 . SER . 6685 1 184 . ARG . 6685 1 185 . LEU . 6685 1 186 . PHE . 6685 1 187 . TYR . 6685 1 188 . HIS . 6685 1 189 . GLY . 6685 1 190 . ILE . 6685 1 191 . GLN . 6685 1 192 . PRO . 6685 1 193 . LEU . 6685 1 194 . LYS . 6685 1 195 . ALA . 6685 1 196 . GLY . 6685 1 197 . PHE . 6685 1 198 . HIS . 6685 1 199 . PRO . 6685 1 200 . LEU . 6685 1 201 . THR . 6685 1 202 . THR . 6685 1 203 . ASP . 6685 1 204 . CYS . 6685 1 205 . ARG . 6685 1 206 . TYR . 6685 1 207 . ASN . 6685 1 208 . LEU . 6685 1 209 . THR . 6685 1 210 . PHE . 6685 1 211 . ARG . 6685 1 212 . GLN . 6685 1 213 . ALA . 6685 1 214 . GLY . 6685 1 215 . LYS . 6685 1 216 . LYS . 6685 1 217 . GLU . 6685 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 6685 1 . ALA 2 2 6685 1 . LEU 3 3 6685 1 . ASP 4 4 6685 1 . LEU 5 5 6685 1 . PHE 6 6 6685 1 . ALA 7 7 6685 1 . ASP 8 8 6685 1 . GLY 9 9 6685 1 . GLU 10 10 6685 1 . PRO 11 11 6685 1 . TRP 12 12 6685 1 . GLN 13 13 6685 1 . GLU 14 14 6685 1 . PRO 15 15 6685 1 . LEU 16 16 6685 1 . ALA 17 17 6685 1 . ALA 18 18 6685 1 . GLY 19 19 6685 1 . ALA 20 20 6685 1 . VAL 21 21 6685 1 . ILE 22 22 6685 1 . LEU 23 23 6685 1 . ARG 24 24 6685 1 . ARG 25 25 6685 1 . PHE 26 26 6685 1 . ALA 27 27 6685 1 . PHE 28 28 6685 1 . ASN 29 29 6685 1 . ALA 30 30 6685 1 . ALA 31 31 6685 1 . GLU 32 32 6685 1 . GLN 33 33 6685 1 . LEU 34 34 6685 1 . ILE 35 35 6685 1 . ARG 36 36 6685 1 . ASP 37 37 6685 1 . ILE 38 38 6685 1 . ASN 39 39 6685 1 . ASP 40 40 6685 1 . VAL 41 41 6685 1 . ALA 42 42 6685 1 . SER 43 43 6685 1 . GLN 44 44 6685 1 . SER 45 45 6685 1 . PRO 46 46 6685 1 . PHE 47 47 6685 1 . ARG 48 48 6685 1 . GLN 49 49 6685 1 . MET 50 50 6685 1 . VAL 51 51 6685 1 . THR 52 52 6685 1 . PRO 53 53 6685 1 . GLY 54 54 6685 1 . GLY 55 55 6685 1 . TYR 56 56 6685 1 . THR 57 57 6685 1 . MET 58 58 6685 1 . SER 59 59 6685 1 . VAL 60 60 6685 1 . ALA 61 61 6685 1 . MET 62 62 6685 1 . THR 63 63 6685 1 . ASN 64 64 6685 1 . CYS 65 65 6685 1 . GLY 66 66 6685 1 . HIS 67 67 6685 1 . LEU 68 68 6685 1 . GLY 69 69 6685 1 . TRP 70 70 6685 1 . THR 71 71 6685 1 . SER 72 72 6685 1 . HIS 73 73 6685 1 . ARG 74 74 6685 1 . GLN 75 75 6685 1 . GLY 76 76 6685 1 . TYR 77 77 6685 1 . LEU 78 78 6685 1 . TYR 79 79 6685 1 . SER 80 80 6685 1 . PRO 81 81 6685 1 . ILE 82 82 6685 1 . ASP 83 83 6685 1 . PRO 84 84 6685 1 . GLN 85 85 6685 1 . THR 86 86 6685 1 . ASN 87 87 6685 1 . LYS 88 88 6685 1 . PRO 89 89 6685 1 . TRP 90 90 6685 1 . PRO 91 91 6685 1 . ALA 92 92 6685 1 . MET 93 93 6685 1 . PRO 94 94 6685 1 . GLN 95 95 6685 1 . SER 96 96 6685 1 . PHE 97 97 6685 1 . HIS 98 98 6685 1 . ASN 99 99 6685 1 . LEU 100 100 6685 1 . CYS 101 101 6685 1 . GLN 102 102 6685 1 . ARG 103 103 6685 1 . ALA 104 104 6685 1 . ALA 105 105 6685 1 . THR 106 106 6685 1 . ALA 107 107 6685 1 . ALA 108 108 6685 1 . GLY 109 109 6685 1 . TYR 110 110 6685 1 . PRO 111 111 6685 1 . ASP 112 112 6685 1 . PHE 113 113 6685 1 . GLN 114 114 6685 1 . PRO 115 115 6685 1 . ASP 116 116 6685 1 . ALA 117 117 6685 1 . CYS 118 118 6685 1 . LEU 119 119 6685 1 . ILE 120 120 6685 1 . ASN 121 121 6685 1 . ARG 122 122 6685 1 . TYR 123 123 6685 1 . ALA 124 124 6685 1 . PRO 125 125 6685 1 . GLY 126 126 6685 1 . ALA 127 127 6685 1 . LYS 128 128 6685 1 . LEU 129 129 6685 1 . SER 130 130 6685 1 . LEU 131 131 6685 1 . HIS 132 132 6685 1 . GLN 133 133 6685 1 . ASP 134 134 6685 1 . LYS 135 135 6685 1 . ASP 136 136 6685 1 . GLU 137 137 6685 1 . PRO 138 138 6685 1 . ASP 139 139 6685 1 . LEU 140 140 6685 1 . ARG 141 141 6685 1 . ALA 142 142 6685 1 . PRO 143 143 6685 1 . ILE 144 144 6685 1 . VAL 145 145 6685 1 . SER 146 146 6685 1 . VAL 147 147 6685 1 . SER 148 148 6685 1 . LEU 149 149 6685 1 . GLY 150 150 6685 1 . LEU 151 151 6685 1 . PRO 152 152 6685 1 . ALA 153 153 6685 1 . ILE 154 154 6685 1 . PHE 155 155 6685 1 . GLN 156 156 6685 1 . PHE 157 157 6685 1 . GLY 158 158 6685 1 . GLY 159 159 6685 1 . LEU 160 160 6685 1 . LYS 161 161 6685 1 . ARG 162 162 6685 1 . ASN 163 163 6685 1 . ASP 164 164 6685 1 . PRO 165 165 6685 1 . LEU 166 166 6685 1 . LYS 167 167 6685 1 . ARG 168 168 6685 1 . LEU 169 169 6685 1 . LEU 170 170 6685 1 . LEU 171 171 6685 1 . GLU 172 172 6685 1 . HIS 173 173 6685 1 . GLY 174 174 6685 1 . ASP 175 175 6685 1 . VAL 176 176 6685 1 . VAL 177 177 6685 1 . VAL 178 178 6685 1 . TRP 179 179 6685 1 . GLY 180 180 6685 1 . GLY 181 181 6685 1 . GLU 182 182 6685 1 . SER 183 183 6685 1 . ARG 184 184 6685 1 . LEU 185 185 6685 1 . PHE 186 186 6685 1 . TYR 187 187 6685 1 . HIS 188 188 6685 1 . GLY 189 189 6685 1 . ILE 190 190 6685 1 . GLN 191 191 6685 1 . PRO 192 192 6685 1 . LEU 193 193 6685 1 . LYS 194 194 6685 1 . ALA 195 195 6685 1 . GLY 196 196 6685 1 . PHE 197 197 6685 1 . HIS 198 198 6685 1 . PRO 199 199 6685 1 . LEU 200 200 6685 1 . THR 201 201 6685 1 . THR 202 202 6685 1 . ASP 203 203 6685 1 . CYS 204 204 6685 1 . ARG 205 205 6685 1 . TYR 206 206 6685 1 . ASN 207 207 6685 1 . LEU 208 208 6685 1 . THR 209 209 6685 1 . PHE 210 210 6685 1 . ARG 211 211 6685 1 . GLN 212 212 6685 1 . ALA 213 213 6685 1 . GLY 214 214 6685 1 . LYS 215 215 6685 1 . LYS 216 216 6685 1 . GLU 217 217 6685 1 stop_ save_ save_FE2 _Entity.Sf_category entity _Entity.Sf_framecode FE2 _Entity.Entry_ID 6685 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FE2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID FE2 _Entity.Nonpolymer_comp_label $chem_comp_FE2 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . FE2 . 6685 2 stop_ save_ save_entity_AKG _Entity.Sf_category entity _Entity.Sf_framecode entity_AKG _Entity.Entry_ID 6685 _Entity.ID 3 _Entity.BMRB_code AKG _Entity.Name '2-OXOGLUTARIC ACID' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID AKG _Entity.Nonpolymer_comp_label $chem_comp_AKG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 146.098 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '2-OXOGLUTARIC ACID' BMRB 6685 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID '2-OXOGLUTARIC ACID' BMRB 6685 3 AKG 'Three letter code' 6685 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 AKG $chem_comp_AKG 6685 3 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 6685 _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 $AlkB . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria 'Not applicable' Escherichia 'Escherichia coli' BL21 . . . . . . . . . . . . 6685 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 6685 _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 $AlkB . 'recombinant technology' . . . . . . . . . . . . . . . . 6685 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FE2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FE2 _Chem_comp.Entry_ID 6685 _Chem_comp.ID FE2 _Chem_comp.Provenance . _Chem_comp.Name 'FE (II) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FE2 _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FE2 _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Fe _Chem_comp.Formula_weight 55.845 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Aug 9 10:29:28 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CWYNVVGOOAEACU-UHFFFAOYSA-N InChIKey InChI 1.03 6685 FE2 InChI=1S/Fe/q+2 InChI InChI 1.03 6685 FE2 [Fe++] SMILES CACTVS 3.341 6685 FE2 [Fe++] SMILES_CANONICAL CACTVS 3.341 6685 FE2 [Fe+2] SMILES ACDLabs 10.04 6685 FE2 [Fe+2] SMILES 'OpenEye OEToolkits' 1.5.0 6685 FE2 [Fe+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6685 FE2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'iron(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6685 FE2 iron(2+) 'SYSTEMATIC NAME' ACDLabs 10.04 6685 FE2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID FE . FE . . FE . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6685 FE2 stop_ save_ save_chem_comp_AKG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AKG _Chem_comp.Entry_ID 6685 _Chem_comp.ID AKG _Chem_comp.Provenance PDB _Chem_comp.Name '2-OXOGLUTARIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AKG _Chem_comp.PDB_code AKG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2017-01-18 _Chem_comp.Modified_date 2017-01-18 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces 2OG _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AKG _Chem_comp.Number_atoms_all 16 _Chem_comp.Number_atoms_nh 10 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H6 O5' _Chem_comp.Formula_weight 146.098 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1DS1 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(CC(=O)O)C(=O)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 6685 AKG C(CC(=O)O)C(=O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 6685 AKG InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) InChI InChI 1.03 6685 AKG KPGXRSRHYNQIFN-UHFFFAOYSA-N InChIKey InChI 1.03 6685 AKG O=C(O)C(=O)CCC(=O)O SMILES ACDLabs 10.04 6685 AKG OC(=O)CCC(=O)C(O)=O SMILES CACTVS 3.385 6685 AKG OC(=O)CCC(=O)C(O)=O SMILES_CANONICAL CACTVS 3.385 6685 AKG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '2-oxidanylidenepentanedioic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 6685 AKG '2-oxopentanedioic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 6685 AKG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -3.530 . 5.433 . 5.918 . 2.420 -0.309 0.002 1 . 6685 AKG O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . -2.616 . 4.675 . 5.904 . 2.428 -1.522 0.001 2 . 6685 AKG O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -3.962 . 6.179 . 6.915 . 3.581 0.372 -0.003 3 . 6685 AKG C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -4.250 . 5.665 . 4.644 . 1.124 0.428 0.001 4 . 6685 AKG O5 O5 O5 O5 . O . . N 0 . . . 1 no yes . . . . -3.697 . 5.187 . 3.615 . 1.116 1.636 0.002 5 . 6685 AKG C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -5.510 . 6.463 . 4.591 . -0.176 -0.334 0.001 6 . 6685 AKG C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -6.742 . 5.561 . 4.375 . -1.346 0.652 0.000 7 . 6685 AKG C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -8.026 . 6.368 . 4.484 . -2.646 -0.109 -0.000 8 . 6685 AKG O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -8.076 . 7.569 . 4.660 . -2.638 -1.318 -0.001 9 . 6685 AKG O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . -9.109 . 5.636 . 4.358 . -3.813 0.554 -0.001 10 . 6685 AKG HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . -3.419 . 6.031 . 7.680 . 4.395 -0.150 -0.007 11 . 6685 AKG H31 H31 H31 H31 . H . . N 0 . . . 1 no no . . . . -5.628 . 7.008 . 5.539 . -0.229 -0.961 -0.890 12 . 6685 AKG H32 H32 H32 H32 . H . . N 0 . . . 1 no no . . . . -5.443 . 7.182 . 3.761 . -0.230 -0.961 0.890 13 . 6685 AKG H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . -6.685 . 5.106 . 3.375 . -1.292 1.279 0.891 14 . 6685 AKG H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . -6.748 . 4.769 . 5.138 . -1.292 1.280 -0.890 15 . 6685 AKG HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no no . . . . -9.877 . 6.191 . 4.427 . -4.620 0.022 -0.001 16 . 6685 AKG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 6685 AKG 2 . SING C1 O2 no N 2 . 6685 AKG 3 . SING C1 C2 no N 3 . 6685 AKG 4 . SING O2 HO2 no N 4 . 6685 AKG 5 . DOUB C2 O5 no N 5 . 6685 AKG 6 . SING C2 C3 no N 6 . 6685 AKG 7 . SING C3 C4 no N 7 . 6685 AKG 8 . SING C3 H31 no N 8 . 6685 AKG 9 . SING C3 H32 no N 9 . 6685 AKG 10 . SING C4 C5 no N 10 . 6685 AKG 11 . SING C4 H41 no N 11 . 6685 AKG 12 . SING C4 H42 no N 12 . 6685 AKG 13 . DOUB C5 O3 no N 13 . 6685 AKG 14 . SING C5 O4 no N 14 . 6685 AKG 15 . SING O4 HO4 no N 15 . 6685 AKG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6685 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'AlkB + co-factors in Tris-HCl Buffer' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 AlkB . . . 1 $AlkB . protein 0.30 . . mM . . . . 6685 1 2 'Ferrous Sulphate' . . . 2 $FE2 . ligand 5 . . mM 0.5 . . . 6685 1 3 2-oxoglutarate . . . 3 $entity_AKG . ligand 10 . . mM 0.5 . . . 6685 1 4 'Ascorbic acid' . . . . . . 'reducing agent' 20 . . mM 0.5 . . . 6685 1 5 'Sodium Dithionite' . . . . . . 'reducing agent' 2 . . mM 1 . . . 6685 1 6 Tris-HCl . . . . . . buffer 50 . . mM 0.5 . . . 6685 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6685 _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 pH 7.6 0.1 pH 6685 1 temperature 310 1 K 6685 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6685 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6685 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6685 1 2 HNCACB(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6685 1 3 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6685 1 4 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6685 1 5 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6685 1 6 HCCH_TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6685 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6685 _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 0.0 . indirect 0.251449530 . . . . . 6685 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6685 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6685 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6685 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 6685 1 2 HNCACB(CO)NH 1 $sample_1 isotropic 6685 1 3 CBCA(CO)NH 1 $sample_1 isotropic 6685 1 4 HNCO 1 $sample_1 isotropic 6685 1 5 HN(CA)CO 1 $sample_1 isotropic 6685 1 6 HCCH_TOCSY 1 $sample_1 isotropic 6685 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 4 4 ASP H H 1 8.340 0.05 . 1 . . . . 4 ASP HN . 6685 1 2 . 1 1 4 4 ASP C C 13 176.583 0.5 . 1 . . . . 4 ASP C . 6685 1 3 . 1 1 4 4 ASP CA C 13 54.723 0.5 . 1 . . . . 4 ASP CA . 6685 1 4 . 1 1 4 4 ASP CB C 13 41.910 0.5 . 1 . . . . 4 ASP CB . 6685 1 5 . 1 1 4 4 ASP N N 15 121.717 0.1 . 1 . . . . 4 ASP N . 6685 1 6 . 1 1 5 5 LEU H H 1 8.029 0.05 . 1 . . . . 5 LEU HN . 6685 1 7 . 1 1 5 5 LEU C C 13 176.877 0.5 . 1 . . . . 5 LEU C . 6685 1 8 . 1 1 5 5 LEU CA C 13 55.949 0.5 . 1 . . . . 5 LEU CA . 6685 1 9 . 1 1 5 5 LEU CB C 13 42.690 0.5 . 1 . . . . 5 LEU CB . 6685 1 10 . 1 1 5 5 LEU N N 15 122.514 0.1 . 1 . . . . 5 LEU N . 6685 1 11 . 1 1 6 6 PHE H H 1 8.177 0.05 . 1 . . . . 6 PHE HN . 6685 1 12 . 1 1 6 6 PHE C C 13 175.793 0.5 . 1 . . . . 6 PHE C . 6685 1 13 . 1 1 6 6 PHE CA C 13 57.954 0.5 . 1 . . . . 6 PHE CA . 6685 1 14 . 1 1 6 6 PHE CB C 13 40.128 0.5 . 1 . . . . 6 PHE CB . 6685 1 15 . 1 1 6 6 PHE N N 15 119.857 0.1 . 1 . . . . 6 PHE N . 6685 1 16 . 1 1 7 7 ALA H H 1 8.120 0.05 . 1 . . . . 7 ALA HN . 6685 1 17 . 1 1 7 7 ALA HA H 1 4.222 0.05 . 1 . . . . 7 ALA HA . 6685 1 18 . 1 1 7 7 ALA HB1 H 1 1.323 0.05 . 1 . . . . 7 ALA HB . 6685 1 19 . 1 1 7 7 ALA HB2 H 1 1.323 0.05 . 1 . . . . 7 ALA HB . 6685 1 20 . 1 1 7 7 ALA HB3 H 1 1.323 0.05 . 1 . . . . 7 ALA HB . 6685 1 21 . 1 1 7 7 ALA C C 13 177.351 0.5 . 1 . . . . 7 ALA C . 6685 1 22 . 1 1 7 7 ALA CA C 13 53.498 0.5 . 1 . . . . 7 ALA CA . 6685 1 23 . 1 1 7 7 ALA CB C 13 20.184 0.5 . 1 . . . . 7 ALA CB . 6685 1 24 . 1 1 7 7 ALA N N 15 125.172 0.1 . 1 . . . . 7 ALA N . 6685 1 25 . 1 1 8 8 ASP H H 1 8.099 0.05 . 1 . . . . 8 ASP HN . 6685 1 26 . 1 1 8 8 ASP HA H 1 4.442 0.05 . 1 . . . . 8 ASP HA . 6685 1 27 . 1 1 8 8 ASP HB2 H 1 2.776 0.05 . 2 . . . . 8 ASP HB1 . 6685 1 28 . 1 1 8 8 ASP HB3 H 1 2.558 0.05 . 2 . . . . 8 ASP HB2 . 6685 1 29 . 1 1 8 8 ASP C C 13 176.516 0.5 . 1 . . . . 8 ASP C . 6685 1 30 . 1 1 8 8 ASP CA C 13 55.169 0.5 . 1 . . . . 8 ASP CA . 6685 1 31 . 1 1 8 8 ASP CB C 13 41.799 0.5 . 1 . . . . 8 ASP CB . 6685 1 32 . 1 1 8 8 ASP N N 15 118.529 0.1 . 1 . . . . 8 ASP N . 6685 1 33 . 1 1 9 9 GLY H H 1 7.978 0.05 . 1 . . . . 9 GLY HN . 6685 1 34 . 1 1 9 9 GLY HA2 H 1 3.841 0.05 . 2 . . . . 9 GLY HA1 . 6685 1 35 . 1 1 9 9 GLY HA3 H 1 3.646 0.05 . 2 . . . . 9 GLY HA2 . 6685 1 36 . 1 1 9 9 GLY C C 13 173.647 0.5 . 1 . . . . 9 GLY C . 6685 1 37 . 1 1 9 9 GLY CA C 13 45.921 0.5 . 1 . . . . 9 GLY CA . 6685 1 38 . 1 1 9 9 GLY N N 15 108.165 0.1 . 1 . . . . 9 GLY N . 6685 1 39 . 1 1 10 10 GLU H H 1 7.899 0.05 . 1 . . . . 10 GLU HN . 6685 1 40 . 1 1 10 10 GLU C C 13 174.505 0.5 . 1 . . . . 10 GLU C . 6685 1 41 . 1 1 10 10 GLU CA C 13 55.057 0.5 . 1 . . . . 10 GLU CA . 6685 1 42 . 1 1 10 10 GLU CB C 13 30.769 0.5 . 1 . . . . 10 GLU CB . 6685 1 43 . 1 1 10 10 GLU N N 15 121.186 0.1 . 1 . . . . 10 GLU N . 6685 1 44 . 1 1 11 11 PRO HA H 1 4.694 0.05 . 1 . . . . 11 PRO HA . 6685 1 45 . 1 1 11 11 PRO HB2 H 1 2.248 0.05 . 2 . . . . 11 PRO HB1 . 6685 1 46 . 1 1 11 11 PRO HB3 H 1 1.921 0.05 . 2 . . . . 11 PRO HB2 . 6685 1 47 . 1 1 11 11 PRO C C 13 175.855 0.5 . 1 . . . . 11 PRO C . 6685 1 48 . 1 1 11 11 PRO CA C 13 64.190 0.5 . 1 . . . . 11 PRO CA . 6685 1 49 . 1 1 11 11 PRO CB C 13 33.380 0.5 . 1 . . . . 11 PRO CB . 6685 1 50 . 1 1 11 11 PRO CG C 13 27.751 0.5 . 1 . . . . 11 PRO CG . 6685 1 51 . 1 1 11 11 PRO CD C 13 50.734 0.5 . 1 . . . . 11 PRO CD . 6685 1 52 . 1 1 12 12 TRP H H 1 7.766 0.05 . 1 . . . . 12 TRP HN . 6685 1 53 . 1 1 12 12 TRP HA H 1 3.969 0.05 . 1 . . . . 12 TRP HA . 6685 1 54 . 1 1 12 12 TRP HB2 H 1 3.556 0.05 . 2 . . . . 12 TRP HB1 . 6685 1 55 . 1 1 12 12 TRP HB3 H 1 3.286 0.05 . 2 . . . . 12 TRP HB2 . 6685 1 56 . 1 1 12 12 TRP C C 13 173.377 0.5 . 1 . . . . 12 TRP C . 6685 1 57 . 1 1 12 12 TRP CA C 13 57.498 0.5 . 1 . . . . 12 TRP CA . 6685 1 58 . 1 1 12 12 TRP CB C 13 31.627 0.5 . 1 . . . . 12 TRP CB . 6685 1 59 . 1 1 12 12 TRP N N 15 119.857 0.1 . 1 . . . . 12 TRP N . 6685 1 60 . 1 1 13 13 GLN H H 1 8.542 0.05 . 1 . . . . 13 GLN HN . 6685 1 61 . 1 1 13 13 GLN HA H 1 5.094 0.05 . 1 . . . . 13 GLN HA . 6685 1 62 . 1 1 13 13 GLN HB2 H 1 1.783 0.05 . 1 . . . . 13 GLN HB1 . 6685 1 63 . 1 1 13 13 GLN HB3 H 1 1.783 0.05 . 1 . . . . 13 GLN HB2 . 6685 1 64 . 1 1 13 13 GLN HG2 H 1 2.182 0.05 . 2 . . . . 13 GLN HG1 . 6685 1 65 . 1 1 13 13 GLN HG3 H 1 1.987 0.05 . 2 . . . . 13 GLN HG2 . 6685 1 66 . 1 1 13 13 GLN C C 13 174.907 0.5 . 1 . . . . 13 GLN C . 6685 1 67 . 1 1 13 13 GLN CA C 13 55.381 0.5 . 1 . . . . 13 GLN CA . 6685 1 68 . 1 1 13 13 GLN CB C 13 31.392 0.5 . 1 . . . . 13 GLN CB . 6685 1 69 . 1 1 13 13 GLN CG C 13 34.177 0.5 . 1 . . . . 13 GLN CG . 6685 1 70 . 1 1 13 13 GLN N N 15 119.060 0.1 . 1 . . . . 13 GLN N . 6685 1 71 . 1 1 14 14 GLU H H 1 9.003 0.05 . 1 . . . . 14 GLU HN . 6685 1 72 . 1 1 14 14 GLU C C 13 173.015 0.5 . 1 . . . . 14 GLU C . 6685 1 73 . 1 1 14 14 GLU CA C 13 53.052 0.5 . 1 . . . . 14 GLU CA . 6685 1 74 . 1 1 14 14 GLU CB C 13 32.997 0.5 . 1 . . . . 14 GLU CB . 6685 1 75 . 1 1 14 14 GLU N N 15 124.109 0.1 . 1 . . . . 14 GLU N . 6685 1 76 . 1 1 15 15 PRO HA H 1 4.268 0.05 . 1 . . . . 15 PRO HA . 6685 1 77 . 1 1 15 15 PRO HB2 H 1 2.291 0.05 . 2 . . . . 15 PRO HB1 . 6685 1 78 . 1 1 15 15 PRO HB3 H 1 1.793 0.05 . 2 . . . . 15 PRO HB2 . 6685 1 79 . 1 1 15 15 PRO C C 13 175.580 0.5 . 1 . . . . 15 PRO C . 6685 1 80 . 1 1 15 15 PRO CA C 13 64.083 0.5 . 1 . . . . 15 PRO CA . 6685 1 81 . 1 1 15 15 PRO CB C 13 32.920 0.5 . 1 . . . . 15 PRO CB . 6685 1 82 . 1 1 15 15 PRO CG C 13 50.072 0.5 . 1 . . . . 15 PRO CG . 6685 1 83 . 1 1 16 16 LEU H H 1 7.809 0.05 . 1 . . . . 16 LEU HN . 6685 1 84 . 1 1 16 16 LEU HA H 1 4.232 0.05 . 1 . . . . 16 LEU HA . 6685 1 85 . 1 1 16 16 LEU HB2 H 1 0.732 0.05 . 2 . . . . 16 LEU HB1 . 6685 1 86 . 1 1 16 16 LEU HB3 H 1 0.645 0.05 . 2 . . . . 16 LEU HB2 . 6685 1 87 . 1 1 16 16 LEU HG H 1 0.515 0.05 . 1 . . . . 16 LEU HG . 6685 1 88 . 1 1 16 16 LEU HD11 H 1 -0.133 0.05 . 2 . . . . 16 LEU HD1 . 6685 1 89 . 1 1 16 16 LEU HD12 H 1 -0.133 0.05 . 2 . . . . 16 LEU HD1 . 6685 1 90 . 1 1 16 16 LEU HD13 H 1 -0.133 0.05 . 2 . . . . 16 LEU HD1 . 6685 1 91 . 1 1 16 16 LEU HD21 H 1 -0.975 0.05 . 2 . . . . 16 LEU HD2 . 6685 1 92 . 1 1 16 16 LEU HD22 H 1 -0.975 0.05 . 2 . . . . 16 LEU HD2 . 6685 1 93 . 1 1 16 16 LEU HD23 H 1 -0.975 0.05 . 2 . . . . 16 LEU HD2 . 6685 1 94 . 1 1 16 16 LEU C C 13 174.083 0.5 . 1 . . . . 16 LEU C . 6685 1 95 . 1 1 16 16 LEU CA C 13 55.233 0.5 . 1 . . . . 16 LEU CA . 6685 1 96 . 1 1 16 16 LEU CB C 13 44.871 0.5 . 1 . . . . 16 LEU CB . 6685 1 97 . 1 1 16 16 LEU CG C 13 26.550 0.5 . 1 . . . . 16 LEU CG . 6685 1 98 . 1 1 16 16 LEU CD1 C 13 23.004 0.5 . 1 . . . . 16 LEU CD1 . 6685 1 99 . 1 1 16 16 LEU CD2 C 13 23.770 0.5 . 1 . . . . 16 LEU CD2 . 6685 1 100 . 1 1 16 16 LEU N N 15 122.249 0.1 . 1 . . . . 16 LEU N . 6685 1 101 . 1 1 17 17 ALA H H 1 7.879 0.05 . 1 . . . . 17 ALA HN . 6685 1 102 . 1 1 17 17 ALA HA H 1 4.450 0.05 . 1 . . . . 17 ALA HA . 6685 1 103 . 1 1 17 17 ALA HB1 H 1 1.581 0.05 . 1 . . . . 17 ALA HB . 6685 1 104 . 1 1 17 17 ALA HB2 H 1 1.581 0.05 . 1 . . . . 17 ALA HB . 6685 1 105 . 1 1 17 17 ALA HB3 H 1 1.581 0.05 . 1 . . . . 17 ALA HB . 6685 1 106 . 1 1 17 17 ALA C C 13 175.833 0.5 . 1 . . . . 17 ALA C . 6685 1 107 . 1 1 17 17 ALA CA C 13 51.595 0.5 . 1 . . . . 17 ALA CA . 6685 1 108 . 1 1 17 17 ALA CB C 13 21.568 0.5 . 1 . . . . 17 ALA CB . 6685 1 109 . 1 1 17 17 ALA N N 15 119.060 0.1 . 1 . . . . 17 ALA N . 6685 1 110 . 1 1 18 18 ALA H H 1 8.723 0.05 . 1 . . . . 18 ALA HN . 6685 1 111 . 1 1 18 18 ALA HA H 1 4.332 0.05 . 1 . . . . 18 ALA HA . 6685 1 112 . 1 1 18 18 ALA HB1 H 1 1.484 0.05 . 1 . . . . 18 ALA HB . 6685 1 113 . 1 1 18 18 ALA HB2 H 1 1.484 0.05 . 1 . . . . 18 ALA HB . 6685 1 114 . 1 1 18 18 ALA HB3 H 1 1.484 0.05 . 1 . . . . 18 ALA HB . 6685 1 115 . 1 1 18 18 ALA C C 13 177.921 0.5 . 1 . . . . 18 ALA C . 6685 1 116 . 1 1 18 18 ALA CA C 13 55.189 0.5 . 1 . . . . 18 ALA CA . 6685 1 117 . 1 1 18 18 ALA CB C 13 18.670 0.5 . 1 . . . . 18 ALA CB . 6685 1 118 . 1 1 18 18 ALA N N 15 124.906 0.1 . 1 . . . . 18 ALA N . 6685 1 119 . 1 1 19 19 GLY H H 1 8.736 0.05 . 1 . . . . 19 GLY HN . 6685 1 120 . 1 1 19 19 GLY HA2 H 1 4.764 0.05 . 2 . . . . 19 GLY HA1 . 6685 1 121 . 1 1 19 19 GLY HA3 H 1 3.783 0.05 . 2 . . . . 19 GLY HA2 . 6685 1 122 . 1 1 19 19 GLY C C 13 174.912 0.5 . 1 . . . . 19 GLY C . 6685 1 123 . 1 1 19 19 GLY CA C 13 46.378 0.5 . 1 . . . . 19 GLY CA . 6685 1 124 . 1 1 19 19 GLY N N 15 111.885 0.1 . 1 . . . . 19 GLY N . 6685 1 125 . 1 1 20 20 ALA H H 1 8.531 0.05 . 1 . . . . 20 ALA HN . 6685 1 126 . 1 1 20 20 ALA HA H 1 5.770 0.05 . 1 . . . . 20 ALA HA . 6685 1 127 . 1 1 20 20 ALA HB1 H 1 1.047 0.05 . 1 . . . . 20 ALA HB . 6685 1 128 . 1 1 20 20 ALA HB2 H 1 1.047 0.05 . 1 . . . . 20 ALA HB . 6685 1 129 . 1 1 20 20 ALA HB3 H 1 1.047 0.05 . 1 . . . . 20 ALA HB . 6685 1 130 . 1 1 20 20 ALA C C 13 176.454 0.5 . 1 . . . . 20 ALA C . 6685 1 131 . 1 1 20 20 ALA CA C 13 51.132 0.5 . 1 . . . . 20 ALA CA . 6685 1 132 . 1 1 20 20 ALA CB C 13 23.655 0.5 . 1 . . . . 20 ALA CB . 6685 1 133 . 1 1 20 20 ALA N N 15 123.312 0.1 . 1 . . . . 20 ALA N . 6685 1 134 . 1 1 21 21 VAL H H 1 8.819 0.05 . 1 . . . . 21 VAL HN . 6685 1 135 . 1 1 21 21 VAL HA H 1 4.359 0.05 . 1 . . . . 21 VAL HA . 6685 1 136 . 1 1 21 21 VAL HB H 1 1.792 0.05 . 1 . . . . 21 VAL HB . 6685 1 137 . 1 1 21 21 VAL HG11 H 1 0.602 0.05 . 2 . . . . 21 VAL HG1 . 6685 1 138 . 1 1 21 21 VAL HG12 H 1 0.602 0.05 . 2 . . . . 21 VAL HG1 . 6685 1 139 . 1 1 21 21 VAL HG13 H 1 0.602 0.05 . 2 . . . . 21 VAL HG1 . 6685 1 140 . 1 1 21 21 VAL HG21 H 1 0.602 0.05 . 2 . . . . 21 VAL HG2 . 6685 1 141 . 1 1 21 21 VAL HG22 H 1 0.602 0.05 . 2 . . . . 21 VAL HG2 . 6685 1 142 . 1 1 21 21 VAL HG23 H 1 0.602 0.05 . 2 . . . . 21 VAL HG2 . 6685 1 143 . 1 1 21 21 VAL C C 13 171.481 0.5 . 1 . . . . 21 VAL C . 6685 1 144 . 1 1 21 21 VAL CA C 13 60.291 0.5 . 1 . . . . 21 VAL CA . 6685 1 145 . 1 1 21 21 VAL CB C 13 36.987 0.5 . 1 . . . . 21 VAL CB . 6685 1 146 . 1 1 21 21 VAL CG1 C 13 20.510 0.5 . 1 . . . . 21 VAL CG1 . 6685 1 147 . 1 1 21 21 VAL CG2 C 13 20.510 0.5 . 1 . . . . 21 VAL CG2 . 6685 1 148 . 1 1 21 21 VAL N N 15 121.452 0.1 . 1 . . . . 21 VAL N . 6685 1 149 . 1 1 22 22 ILE H H 1 8.389 0.05 . 1 . . . . 22 ILE HN . 6685 1 150 . 1 1 22 22 ILE HA H 1 4.061 0.05 . 1 . . . . 22 ILE HA . 6685 1 151 . 1 1 22 22 ILE HB H 1 1.426 0.05 . 1 . . . . 22 ILE HB . 6685 1 152 . 1 1 22 22 ILE HG21 H 1 0.132 0.05 . 1 . . . . 22 ILE HG2 . 6685 1 153 . 1 1 22 22 ILE HG22 H 1 0.132 0.05 . 1 . . . . 22 ILE HG2 . 6685 1 154 . 1 1 22 22 ILE HG23 H 1 0.132 0.05 . 1 . . . . 22 ILE HG2 . 6685 1 155 . 1 1 22 22 ILE HD11 H 1 0.253 0.05 . 1 . . . . 22 ILE HD1 . 6685 1 156 . 1 1 22 22 ILE HD12 H 1 0.253 0.05 . 1 . . . . 22 ILE HD1 . 6685 1 157 . 1 1 22 22 ILE HD13 H 1 0.253 0.05 . 1 . . . . 22 ILE HD1 . 6685 1 158 . 1 1 22 22 ILE C C 13 174.520 0.5 . 1 . . . . 22 ILE C . 6685 1 159 . 1 1 22 22 ILE CA C 13 60.638 0.5 . 1 . . . . 22 ILE CA . 6685 1 160 . 1 1 22 22 ILE CB C 13 39.538 0.5 . 1 . . . . 22 ILE CB . 6685 1 161 . 1 1 22 22 ILE CG2 C 13 16.317 0.5 . 1 . . . . 22 ILE CG2 . 6685 1 162 . 1 1 22 22 ILE CD1 C 13 14.880 0.5 . 1 . . . . 22 ILE CD1 . 6685 1 163 . 1 1 22 22 ILE N N 15 121.717 0.1 . 1 . . . . 22 ILE N . 6685 1 164 . 1 1 23 23 LEU H H 1 9.265 0.05 . 1 . . . . 23 LEU HN . 6685 1 165 . 1 1 23 23 LEU HA H 1 4.399 0.05 . 1 . . . . 23 LEU HA . 6685 1 166 . 1 1 23 23 LEU C C 13 176.846 0.5 . 1 . . . . 23 LEU C . 6685 1 167 . 1 1 23 23 LEU CA C 13 52.755 0.5 . 1 . . . . 23 LEU CA . 6685 1 168 . 1 1 23 23 LEU CB C 13 40.350 0.5 . 1 . . . . 23 LEU CB . 6685 1 169 . 1 1 23 23 LEU N N 15 128.892 0.1 . 1 . . . . 23 LEU N . 6685 1 170 . 1 1 24 24 ARG H H 1 8.081 0.05 . 1 . . . . 24 ARG HN . 6685 1 171 . 1 1 24 24 ARG HA H 1 3.641 0.05 . 1 . . . . 24 ARG HA . 6685 1 172 . 1 1 24 24 ARG HB2 H 1 1.768 0.05 . 2 . . . . 24 ARG HB1 . 6685 1 173 . 1 1 24 24 ARG C C 13 177.030 0.5 . 1 . . . . 24 ARG C . 6685 1 174 . 1 1 24 24 ARG CA C 13 55.769 0.5 . 1 . . . . 24 ARG CA . 6685 1 175 . 1 1 24 24 ARG CB C 13 28.872 0.5 . 1 . . . . 24 ARG CB . 6685 1 176 . 1 1 24 24 ARG N N 15 126.500 0.1 . 1 . . . . 24 ARG N . 6685 1 177 . 1 1 25 25 ARG H H 1 9.879 0.05 . 1 . . . . 25 ARG HN . 6685 1 178 . 1 1 25 25 ARG HA H 1 3.386 0.05 . 1 . . . . 25 ARG HA . 6685 1 179 . 1 1 25 25 ARG HB2 H 1 1.907 0.05 . 2 . . . . 25 ARG HB1 . 6685 1 180 . 1 1 25 25 ARG HB3 H 1 1.446 0.05 . 2 . . . . 25 ARG HB2 . 6685 1 181 . 1 1 25 25 ARG HD2 H 1 3.080 0.05 . 2 . . . . 25 ARG HD1 . 6685 1 182 . 1 1 25 25 ARG C C 13 176.408 0.5 . 1 . . . . 25 ARG C . 6685 1 183 . 1 1 25 25 ARG CA C 13 57.508 0.5 . 1 . . . . 25 ARG CA . 6685 1 184 . 1 1 25 25 ARG CB C 13 28.988 0.5 . 1 . . . . 25 ARG CB . 6685 1 185 . 1 1 25 25 ARG CG C 13 27.992 0.5 . 1 . . . . 25 ARG CG . 6685 1 186 . 1 1 25 25 ARG CD C 13 42.623 0.5 . 1 . . . . 25 ARG CD . 6685 1 187 . 1 1 25 25 ARG N N 15 113.480 0.1 . 1 . . . . 25 ARG N . 6685 1 188 . 1 1 26 26 PHE H H 1 7.403 0.05 . 1 . . . . 26 PHE HN . 6685 1 189 . 1 1 26 26 PHE HA H 1 3.717 0.05 . 1 . . . . 26 PHE HA . 6685 1 190 . 1 1 26 26 PHE HB2 H 1 3.005 0.05 . 2 . . . . 26 PHE HB1 . 6685 1 191 . 1 1 26 26 PHE HB3 H 1 2.557 0.05 . 2 . . . . 26 PHE HB2 . 6685 1 192 . 1 1 26 26 PHE C C 13 176.201 0.5 . 1 . . . . 26 PHE C . 6685 1 193 . 1 1 26 26 PHE CA C 13 62.957 0.5 . 1 . . . . 26 PHE CA . 6685 1 194 . 1 1 26 26 PHE CB C 13 42.205 0.5 . 1 . . . . 26 PHE CB . 6685 1 195 . 1 1 26 26 PHE N N 15 123.046 0.1 . 1 . . . . 26 PHE N . 6685 1 196 . 1 1 27 27 ALA H H 1 9.797 0.05 . 1 . . . . 27 ALA HN . 6685 1 197 . 1 1 27 27 ALA HA H 1 4.621 0.05 . 1 . . . . 27 ALA HA . 6685 1 198 . 1 1 27 27 ALA HB1 H 1 1.144 0.05 . 1 . . . . 27 ALA HB . 6685 1 199 . 1 1 27 27 ALA HB2 H 1 1.144 0.05 . 1 . . . . 27 ALA HB . 6685 1 200 . 1 1 27 27 ALA HB3 H 1 1.144 0.05 . 1 . . . . 27 ALA HB . 6685 1 201 . 1 1 27 27 ALA C C 13 176.017 0.5 . 1 . . . . 27 ALA C . 6685 1 202 . 1 1 27 27 ALA CA C 13 51.016 0.5 . 1 . . . . 27 ALA CA . 6685 1 203 . 1 1 27 27 ALA CB C 13 20.061 0.5 . 1 . . . . 27 ALA CB . 6685 1 204 . 1 1 27 27 ALA N N 15 116.137 0.1 . 1 . . . . 27 ALA N . 6685 1 205 . 1 1 28 28 PHE H H 1 7.469 0.05 . 1 . . . . 28 PHE HN . 6685 1 206 . 1 1 28 28 PHE C C 13 177.467 0.5 . 1 . . . . 28 PHE C . 6685 1 207 . 1 1 28 28 PHE CA C 13 64.001 0.5 . 1 . . . . 28 PHE CA . 6685 1 208 . 1 1 28 28 PHE CB C 13 41.741 0.5 . 1 . . . . 28 PHE CB . 6685 1 209 . 1 1 28 28 PHE N N 15 119.857 0.1 . 1 . . . . 28 PHE N . 6685 1 210 . 1 1 30 30 ALA H H 1 7.575 0.05 . 1 . . . . 30 ALA HN . 6685 1 211 . 1 1 30 30 ALA HA H 1 4.574 0.05 . 1 . . . . 30 ALA HA . 6685 1 212 . 1 1 30 30 ALA HB1 H 1 1.377 0.05 . 1 . . . . 30 ALA HB . 6685 1 213 . 1 1 30 30 ALA HB2 H 1 1.377 0.05 . 1 . . . . 30 ALA HB . 6685 1 214 . 1 1 30 30 ALA HB3 H 1 1.377 0.05 . 1 . . . . 30 ALA HB . 6685 1 215 . 1 1 30 30 ALA C C 13 177.697 0.5 . 1 . . . . 30 ALA C . 6685 1 216 . 1 1 30 30 ALA CA C 13 52.523 0.5 . 1 . . . . 30 ALA CA . 6685 1 217 . 1 1 30 30 ALA CB C 13 19.713 0.5 . 1 . . . . 30 ALA CB . 6685 1 218 . 1 1 30 30 ALA N N 15 121.452 0.1 . 1 . . . . 30 ALA N . 6685 1 219 . 1 1 31 31 ALA H H 1 7.209 0.05 . 1 . . . . 31 ALA HN . 6685 1 220 . 1 1 31 31 ALA HA H 1 3.787 0.05 . 1 . . . . 31 ALA HA . 6685 1 221 . 1 1 31 31 ALA HB1 H 1 1.458 0.05 . 1 . . . . 31 ALA HB . 6685 1 222 . 1 1 31 31 ALA HB2 H 1 1.458 0.05 . 1 . . . . 31 ALA HB . 6685 1 223 . 1 1 31 31 ALA HB3 H 1 1.458 0.05 . 1 . . . . 31 ALA HB . 6685 1 224 . 1 1 31 31 ALA C C 13 177.997 0.5 . 1 . . . . 31 ALA C . 6685 1 225 . 1 1 31 31 ALA CA C 13 57.392 0.5 . 1 . . . . 31 ALA CA . 6685 1 226 . 1 1 31 31 ALA CB C 13 21.336 0.5 . 1 . . . . 31 ALA CB . 6685 1 227 . 1 1 31 31 ALA N N 15 119.591 0.1 . 1 . . . . 31 ALA N . 6685 1 228 . 1 1 32 32 GLU H H 1 8.844 0.05 . 1 . . . . 32 GLU HN . 6685 1 229 . 1 1 32 32 GLU HA H 1 4.068 0.05 . 1 . . . . 32 GLU HA . 6685 1 230 . 1 1 32 32 GLU HB2 H 1 2.181 0.05 . 1 . . . . 32 GLU HB1 . 6685 1 231 . 1 1 32 32 GLU HB3 H 1 2.181 0.05 . 1 . . . . 32 GLU HB2 . 6685 1 232 . 1 1 32 32 GLU HG2 H 1 2.430 0.05 . 2 . . . . 32 GLU HG1 . 6685 1 233 . 1 1 32 32 GLU HG3 H 1 2.375 0.05 . 2 . . . . 32 GLU HG2 . 6685 1 234 . 1 1 32 32 GLU C C 13 179.033 0.5 . 1 . . . . 32 GLU C . 6685 1 235 . 1 1 32 32 GLU CA C 13 61.914 0.5 . 1 . . . . 32 GLU CA . 6685 1 236 . 1 1 32 32 GLU CB C 13 29.915 0.5 . 1 . . . . 32 GLU CB . 6685 1 237 . 1 1 32 32 GLU CG C 13 36.934 0.5 . 1 . . . . 32 GLU CG . 6685 1 238 . 1 1 32 32 GLU N N 15 116.403 0.1 . 1 . . . . 32 GLU N . 6685 1 239 . 1 1 33 33 GLN H H 1 8.042 0.05 . 1 . . . . 33 GLN HN . 6685 1 240 . 1 1 33 33 GLN HA H 1 3.997 0.05 . 1 . . . . 33 GLN HA . 6685 1 241 . 1 1 33 33 GLN HB2 H 1 2.235 0.05 . 2 . . . . 33 GLN HB1 . 6685 1 242 . 1 1 33 33 GLN HB3 H 1 2.093 0.05 . 2 . . . . 33 GLN HB2 . 6685 1 243 . 1 1 33 33 GLN HG2 H 1 2.569 0.05 . 2 . . . . 33 GLN HG1 . 6685 1 244 . 1 1 33 33 GLN HG3 H 1 2.430 0.05 . 2 . . . . 33 GLN HG2 . 6685 1 245 . 1 1 33 33 GLN C C 13 177.697 0.5 . 1 . . . . 33 GLN C . 6685 1 246 . 1 1 33 33 GLN CA C 13 59.247 0.5 . 1 . . . . 33 GLN CA . 6685 1 247 . 1 1 33 33 GLN CB C 13 28.640 0.5 . 1 . . . . 33 GLN CB . 6685 1 248 . 1 1 33 33 GLN CG C 13 33.276 0.5 . 1 . . . . 33 GLN CG . 6685 1 249 . 1 1 33 33 GLN N N 15 119.591 0.1 . 1 . . . . 33 GLN N . 6685 1 250 . 1 1 34 34 LEU H H 1 8.324 0.05 . 1 . . . . 34 LEU HN . 6685 1 251 . 1 1 34 34 LEU HA H 1 4.412 0.05 . 1 . . . . 34 LEU HA . 6685 1 252 . 1 1 34 34 LEU C C 13 179.424 0.5 . 1 . . . . 34 LEU C . 6685 1 253 . 1 1 34 34 LEU CA C 13 58.899 0.5 . 1 . . . . 34 LEU CA . 6685 1 254 . 1 1 34 34 LEU CB C 13 42.552 0.5 . 1 . . . . 34 LEU CB . 6685 1 255 . 1 1 34 34 LEU N N 15 117.200 0.1 . 1 . . . . 34 LEU N . 6685 1 256 . 1 1 35 35 ILE H H 1 8.462 0.05 . 1 . . . . 35 ILE HN . 6685 1 257 . 1 1 35 35 ILE HA H 1 3.689 0.05 . 1 . . . . 35 ILE HA . 6685 1 258 . 1 1 35 35 ILE HB H 1 1.994 0.05 . 1 . . . . 35 ILE HB . 6685 1 259 . 1 1 35 35 ILE HG12 H 1 1.485 0.05 . 1 . . . . 35 ILE HG11 . 6685 1 260 . 1 1 35 35 ILE HG13 H 1 1.274 0.05 . 1 . . . . 35 ILE HG12 . 6685 1 261 . 1 1 35 35 ILE HG21 H 1 1.023 0.05 . 1 . . . . 35 ILE HG2 . 6685 1 262 . 1 1 35 35 ILE HG22 H 1 1.023 0.05 . 1 . . . . 35 ILE HG2 . 6685 1 263 . 1 1 35 35 ILE HG23 H 1 1.023 0.05 . 1 . . . . 35 ILE HG2 . 6685 1 264 . 1 1 35 35 ILE HD11 H 1 0.953 0.05 . 1 . . . . 35 ILE HD1 . 6685 1 265 . 1 1 35 35 ILE HD12 H 1 0.953 0.05 . 1 . . . . 35 ILE HD1 . 6685 1 266 . 1 1 35 35 ILE HD13 H 1 0.953 0.05 . 1 . . . . 35 ILE HD1 . 6685 1 267 . 1 1 35 35 ILE C C 13 177.697 0.5 . 1 . . . . 35 ILE C . 6685 1 268 . 1 1 35 35 ILE CA C 13 65.276 0.5 . 1 . . . . 35 ILE CA . 6685 1 269 . 1 1 35 35 ILE CB C 13 38.147 0.5 . 1 . . . . 35 ILE CB . 6685 1 270 . 1 1 35 35 ILE CG2 C 13 18.220 0.5 . 1 . . . . 35 ILE CG2 . 6685 1 271 . 1 1 35 35 ILE CD1 C 13 14.680 0.5 . 1 . . . . 35 ILE CD1 . 6685 1 272 . 1 1 35 35 ILE N N 15 117.731 0.1 . 1 . . . . 35 ILE N . 6685 1 273 . 1 1 36 36 ARG H H 1 7.749 0.05 . 1 . . . . 36 ARG HN . 6685 1 274 . 1 1 36 36 ARG HA H 1 4.200 0.05 . 1 . . . . 36 ARG HA . 6685 1 275 . 1 1 36 36 ARG HB2 H 1 2.054 0.05 . 2 . . . . 36 ARG HB1 . 6685 1 276 . 1 1 36 36 ARG HB3 H 1 1.919 0.05 . 2 . . . . 36 ARG HB2 . 6685 1 277 . 1 1 36 36 ARG HG2 H 1 1.732 0.05 . 1 . . . . 36 ARG HG1 . 6685 1 278 . 1 1 36 36 ARG HG3 H 1 1.732 0.05 . 1 . . . . 36 ARG HG2 . 6685 1 279 . 1 1 36 36 ARG HD2 H 1 3.351 0.05 . 2 . . . . 36 ARG HD1 . 6685 1 280 . 1 1 36 36 ARG HD3 H 1 3.257 0.05 . 2 . . . . 36 ARG HD2 . 6685 1 281 . 1 1 36 36 ARG C C 13 179.792 0.5 . 1 . . . . 36 ARG C . 6685 1 282 . 1 1 36 36 ARG CA C 13 60.870 0.5 . 1 . . . . 36 ARG CA . 6685 1 283 . 1 1 36 36 ARG CB C 13 30.727 0.5 . 1 . . . . 36 ARG CB . 6685 1 284 . 1 1 36 36 ARG CG C 13 27.956 0.5 . 1 . . . . 36 ARG CG . 6685 1 285 . 1 1 36 36 ARG CD C 13 43.751 0.5 . 1 . . . . 36 ARG CD . 6685 1 286 . 1 1 36 36 ARG N N 15 121.452 0.1 . 1 . . . . 36 ARG N . 6685 1 287 . 1 1 37 37 ASP H H 1 8.371 0.05 . 1 . . . . 37 ASP HN . 6685 1 288 . 1 1 37 37 ASP HA H 1 4.773 0.05 . 1 . . . . 37 ASP HA . 6685 1 289 . 1 1 37 37 ASP HB2 H 1 2.991 0.05 . 2 . . . . 37 ASP HB1 . 6685 1 290 . 1 1 37 37 ASP HB3 H 1 2.250 0.05 . 2 . . . . 37 ASP HB2 . 6685 1 291 . 1 1 37 37 ASP C C 13 178.802 0.5 . 1 . . . . 37 ASP C . 6685 1 292 . 1 1 37 37 ASP CA C 13 58.899 0.5 . 1 . . . . 37 ASP CA . 6685 1 293 . 1 1 37 37 ASP CB C 13 41.509 0.5 . 1 . . . . 37 ASP CB . 6685 1 294 . 1 1 37 37 ASP N N 15 120.389 0.1 . 1 . . . . 37 ASP N . 6685 1 295 . 1 1 38 38 ILE H H 1 9.065 0.05 . 1 . . . . 38 ILE HN . 6685 1 296 . 1 1 38 38 ILE HA H 1 3.633 0.05 . 1 . . . . 38 ILE HA . 6685 1 297 . 1 1 38 38 ILE HB H 1 2.166 0.05 . 1 . . . . 38 ILE HB . 6685 1 298 . 1 1 38 38 ILE HG12 H 1 2.430 0.05 . 1 . . . . 38 ILE HG11 . 6685 1 299 . 1 1 38 38 ILE HG13 H 1 1.067 0.05 . 1 . . . . 38 ILE HG12 . 6685 1 300 . 1 1 38 38 ILE HG21 H 1 0.586 0.05 . 1 . . . . 38 ILE HG2 . 6685 1 301 . 1 1 38 38 ILE HG22 H 1 0.586 0.05 . 1 . . . . 38 ILE HG2 . 6685 1 302 . 1 1 38 38 ILE HG23 H 1 0.586 0.05 . 1 . . . . 38 ILE HG2 . 6685 1 303 . 1 1 38 38 ILE HD11 H 1 0.930 0.05 . 1 . . . . 38 ILE HD1 . 6685 1 304 . 1 1 38 38 ILE HD12 H 1 0.930 0.05 . 1 . . . . 38 ILE HD1 . 6685 1 305 . 1 1 38 38 ILE HD13 H 1 0.930 0.05 . 1 . . . . 38 ILE HD1 . 6685 1 306 . 1 1 38 38 ILE C C 13 177.237 0.5 . 1 . . . . 38 ILE C . 6685 1 307 . 1 1 38 38 ILE CA C 13 67.710 0.5 . 1 . . . . 38 ILE CA . 6685 1 308 . 1 1 38 38 ILE CB C 13 38.842 0.5 . 1 . . . . 38 ILE CB . 6685 1 309 . 1 1 38 38 ILE CG1 C 13 30.527 0.5 . 2 . . . . 38 ILE CG1 . 6685 1 310 . 1 1 38 38 ILE CG2 C 13 14.820 0.5 . 1 . . . . 38 ILE CG2 . 6685 1 311 . 1 1 38 38 ILE CD1 C 13 16.549 0.5 . 1 . . . . 38 ILE CD1 . 6685 1 312 . 1 1 38 38 ILE N N 15 123.577 0.1 . 1 . . . . 38 ILE N . 6685 1 313 . 1 1 39 39 ASN H H 1 8.033 0.05 . 1 . . . . 39 ASN HN . 6685 1 314 . 1 1 39 39 ASN HA H 1 4.598 0.05 . 1 . . . . 39 ASN HA . 6685 1 315 . 1 1 39 39 ASN HB2 H 1 3.159 0.05 . 2 . . . . 39 ASN HB1 . 6685 1 316 . 1 1 39 39 ASN HB3 H 1 2.962 0.05 . 2 . . . . 39 ASN HB2 . 6685 1 317 . 1 1 39 39 ASN C C 13 178.411 0.5 . 1 . . . . 39 ASN C . 6685 1 318 . 1 1 39 39 ASN CA C 13 57.160 0.5 . 1 . . . . 39 ASN CA . 6685 1 319 . 1 1 39 39 ASN CB C 13 38.727 0.5 . 1 . . . . 39 ASN CB . 6685 1 320 . 1 1 39 39 ASN N N 15 116.668 0.1 . 1 . . . . 39 ASN N . 6685 1 321 . 1 1 40 40 ASP H H 1 7.994 0.05 . 1 . . . . 40 ASP HN . 6685 1 322 . 1 1 40 40 ASP HA H 1 4.339 0.05 . 1 . . . . 40 ASP HA . 6685 1 323 . 1 1 40 40 ASP HB2 H 1 1.793 0.05 . 2 . . . . 40 ASP HB1 . 6685 1 324 . 1 1 40 40 ASP HB3 H 1 1.651 0.05 . 2 . . . . 40 ASP HB2 . 6685 1 325 . 1 1 40 40 ASP C C 13 180.253 0.5 . 1 . . . . 40 ASP C . 6685 1 326 . 1 1 40 40 ASP CA C 13 58.667 0.5 . 1 . . . . 40 ASP CA . 6685 1 327 . 1 1 40 40 ASP CB C 13 41.973 0.5 . 1 . . . . 40 ASP CB . 6685 1 328 . 1 1 40 40 ASP N N 15 121.452 0.1 . 1 . . . . 40 ASP N . 6685 1 329 . 1 1 41 41 VAL H H 1 8.565 0.05 . 1 . . . . 41 VAL HN . 6685 1 330 . 1 1 41 41 VAL HA H 1 3.595 0.05 . 1 . . . . 41 VAL HA . 6685 1 331 . 1 1 41 41 VAL HB H 1 2.287 0.05 . 1 . . . . 41 VAL HB . 6685 1 332 . 1 1 41 41 VAL HG11 H 1 0.878 0.05 . 2 . . . . 41 VAL HG1 . 6685 1 333 . 1 1 41 41 VAL HG12 H 1 0.878 0.05 . 2 . . . . 41 VAL HG1 . 6685 1 334 . 1 1 41 41 VAL HG13 H 1 0.878 0.05 . 2 . . . . 41 VAL HG1 . 6685 1 335 . 1 1 41 41 VAL HG21 H 1 0.953 0.05 . 2 . . . . 41 VAL HG2 . 6685 1 336 . 1 1 41 41 VAL HG22 H 1 0.953 0.05 . 2 . . . . 41 VAL HG2 . 6685 1 337 . 1 1 41 41 VAL HG23 H 1 0.953 0.05 . 2 . . . . 41 VAL HG2 . 6685 1 338 . 1 1 41 41 VAL C C 13 178.526 0.5 . 1 . . . . 41 VAL C . 6685 1 339 . 1 1 41 41 VAL CA C 13 68.174 0.5 . 1 . . . . 41 VAL CA . 6685 1 340 . 1 1 41 41 VAL CB C 13 32.118 0.5 . 1 . . . . 41 VAL CB . 6685 1 341 . 1 1 41 41 VAL CG1 C 13 22.302 0.5 . 1 . . . . 41 VAL CG1 . 6685 1 342 . 1 1 41 41 VAL CG2 C 13 22.302 0.5 . 1 . . . . 41 VAL CG2 . 6685 1 343 . 1 1 41 41 VAL N N 15 123.843 0.1 . 1 . . . . 41 VAL N . 6685 1 344 . 1 1 42 42 ALA H H 1 8.777 0.05 . 1 . . . . 42 ALA HN . 6685 1 345 . 1 1 42 42 ALA HA H 1 4.584 0.05 . 1 . . . . 42 ALA HA . 6685 1 346 . 1 1 42 42 ALA HB1 H 1 1.551 0.05 . 1 . . . . 42 ALA HB . 6685 1 347 . 1 1 42 42 ALA HB2 H 1 1.551 0.05 . 1 . . . . 42 ALA HB . 6685 1 348 . 1 1 42 42 ALA HB3 H 1 1.551 0.05 . 1 . . . . 42 ALA HB . 6685 1 349 . 1 1 42 42 ALA C C 13 178.917 0.5 . 1 . . . . 42 ALA C . 6685 1 350 . 1 1 42 42 ALA CA C 13 53.566 0.5 . 1 . . . . 42 ALA CA . 6685 1 351 . 1 1 42 42 ALA CB C 13 19.249 0.5 . 1 . . . . 42 ALA CB . 6685 1 352 . 1 1 42 42 ALA N N 15 121.186 0.1 . 1 . . . . 42 ALA N . 6685 1 353 . 1 1 43 43 SER H H 1 7.801 0.05 . 1 . . . . 43 SER HN . 6685 1 354 . 1 1 43 43 SER HA H 1 4.360 0.05 . 1 . . . . 43 SER HA . 6685 1 355 . 1 1 43 43 SER HB2 H 1 4.178 0.05 . 1 . . . . 43 SER HB1 . 6685 1 356 . 1 1 43 43 SER HB3 H 1 4.178 0.05 . 1 . . . . 43 SER HB2 . 6685 1 357 . 1 1 43 43 SER C C 13 174.566 0.5 . 1 . . . . 43 SER C . 6685 1 358 . 1 1 43 43 SER CA C 13 61.566 0.5 . 1 . . . . 43 SER CA . 6685 1 359 . 1 1 43 43 SER CB C 13 63.885 0.5 . 1 . . . . 43 SER CB . 6685 1 360 . 1 1 43 43 SER N N 15 112.948 0.1 . 1 . . . . 43 SER N . 6685 1 361 . 1 1 44 44 GLN H H 1 7.522 0.05 . 1 . . . . 44 GLN HN . 6685 1 362 . 1 1 44 44 GLN HA H 1 4.486 0.05 . 1 . . . . 44 GLN HA . 6685 1 363 . 1 1 44 44 GLN HB2 H 1 2.347 0.05 . 2 . . . . 44 GLN HB1 . 6685 1 364 . 1 1 44 44 GLN HB3 H 1 2.222 0.05 . 2 . . . . 44 GLN HB2 . 6685 1 365 . 1 1 44 44 GLN C C 13 175.879 0.5 . 1 . . . . 44 GLN C . 6685 1 366 . 1 1 44 44 GLN CA C 13 57.972 0.5 . 1 . . . . 44 GLN CA . 6685 1 367 . 1 1 44 44 GLN CB C 13 32.234 0.5 . 1 . . . . 44 GLN CB . 6685 1 368 . 1 1 44 44 GLN CG C 13 34.440 0.5 . 1 . . . . 44 GLN CG . 6685 1 369 . 1 1 44 44 GLN N N 15 120.389 0.1 . 1 . . . . 44 GLN N . 6685 1 370 . 1 1 45 45 SER H H 1 8.298 0.05 . 1 . . . . 45 SER HN . 6685 1 371 . 1 1 45 45 SER C C 13 172.287 0.5 . 1 . . . . 45 SER C . 6685 1 372 . 1 1 45 45 SER CA C 13 58.320 0.5 . 1 . . . . 45 SER CA . 6685 1 373 . 1 1 45 45 SER CB C 13 66.319 0.5 . 1 . . . . 45 SER CB . 6685 1 374 . 1 1 45 45 SER N N 15 118.529 0.1 . 1 . . . . 45 SER N . 6685 1 375 . 1 1 46 46 PRO HA H 1 5.142 0.05 . 1 . . . . 46 PRO HA . 6685 1 376 . 1 1 46 46 PRO HB2 H 1 2.618 0.05 . 2 . . . . 46 PRO HB1 . 6685 1 377 . 1 1 46 46 PRO HB3 H 1 2.091 0.05 . 2 . . . . 46 PRO HB2 . 6685 1 378 . 1 1 46 46 PRO HG2 H 1 2.570 0.05 . 2 . . . . 46 PRO HG1 . 6685 1 379 . 1 1 46 46 PRO HG3 H 1 2.007 0.05 . 2 . . . . 46 PRO HG2 . 6685 1 380 . 1 1 46 46 PRO HD2 H 1 3.643 0.05 . 2 . . . . 46 PRO HD1 . 6685 1 381 . 1 1 46 46 PRO HD3 H 1 3.575 0.05 . 2 . . . . 46 PRO HD2 . 6685 1 382 . 1 1 46 46 PRO C C 13 177.872 0.5 . 1 . . . . 46 PRO C . 6685 1 383 . 1 1 46 46 PRO CA C 13 62.672 0.5 . 1 . . . . 46 PRO CA . 6685 1 384 . 1 1 46 46 PRO CB C 13 33.626 0.5 . 1 . . . . 46 PRO CB . 6685 1 385 . 1 1 46 46 PRO CG C 13 27.081 0.5 . 1 . . . . 46 PRO CG . 6685 1 386 . 1 1 46 46 PRO CD C 13 51.241 0.5 . 1 . . . . 46 PRO CD . 6685 1 387 . 1 1 47 47 PHE H H 1 8.642 0.05 . 1 . . . . 47 PHE HN . 6685 1 388 . 1 1 47 47 PHE HA H 1 4.623 0.05 . 1 . . . . 47 PHE HA . 6685 1 389 . 1 1 47 47 PHE HB2 H 1 3.142 0.05 . 2 . . . . 47 PHE HB1 . 6685 1 390 . 1 1 47 47 PHE HB3 H 1 2.788 0.05 . 2 . . . . 47 PHE HB2 . 6685 1 391 . 1 1 47 47 PHE C C 13 177.237 0.5 . 1 . . . . 47 PHE C . 6685 1 392 . 1 1 47 47 PHE CA C 13 62.030 0.5 . 1 . . . . 47 PHE CA . 6685 1 393 . 1 1 47 47 PHE CB C 13 40.929 0.5 . 1 . . . . 47 PHE CB . 6685 1 394 . 1 1 47 47 PHE N N 15 118.263 0.1 . 1 . . . . 47 PHE N . 6685 1 395 . 1 1 48 48 ARG H H 1 9.812 0.05 . 1 . . . . 48 ARG HN . 6685 1 396 . 1 1 48 48 ARG HA H 1 5.240 0.05 . 1 . . . . 48 ARG HA . 6685 1 397 . 1 1 48 48 ARG C C 13 174.313 0.5 . 1 . . . . 48 ARG C . 6685 1 398 . 1 1 48 48 ARG CA C 13 55.653 0.5 . 1 . . . . 48 ARG CA . 6685 1 399 . 1 1 48 48 ARG CB C 13 31.654 0.5 . 1 . . . . 48 ARG CB . 6685 1 400 . 1 1 48 48 ARG N N 15 122.514 0.1 . 1 . . . . 48 ARG N . 6685 1 401 . 1 1 49 49 GLN H H 1 9.049 0.05 . 1 . . . . 49 GLN HN . 6685 1 402 . 1 1 49 49 GLN HA H 1 5.183 0.05 . 1 . . . . 49 GLN HA . 6685 1 403 . 1 1 49 49 GLN HB2 H 1 2.557 0.05 . 1 . . . . 49 GLN HB1 . 6685 1 404 . 1 1 49 49 GLN HB3 H 1 2.557 0.05 . 1 . . . . 49 GLN HB2 . 6685 1 405 . 1 1 49 49 GLN HG2 H 1 2.669 0.05 . 2 . . . . 49 GLN HG1 . 6685 1 406 . 1 1 49 49 GLN HG3 H 1 2.475 0.05 . 2 . . . . 49 GLN HG2 . 6685 1 407 . 1 1 49 49 GLN C C 13 176.017 0.5 . 1 . . . . 49 GLN C . 6685 1 408 . 1 1 49 49 GLN CA C 13 55.885 0.5 . 1 . . . . 49 GLN CA . 6685 1 409 . 1 1 49 49 GLN CB C 13 31.191 0.5 . 1 . . . . 49 GLN CB . 6685 1 410 . 1 1 49 49 GLN CG C 13 35.437 0.5 . 1 . . . . 49 GLN CG . 6685 1 411 . 1 1 49 49 GLN N N 15 121.983 0.1 . 1 . . . . 49 GLN N . 6685 1 412 . 1 1 50 50 MET H H 1 9.443 0.05 . 1 . . . . 50 MET HN . 6685 1 413 . 1 1 50 50 MET HA H 1 4.504 0.05 . 1 . . . . 50 MET HA . 6685 1 414 . 1 1 50 50 MET HB2 H 1 2.710 0.05 . 2 . . . . 50 MET HB2 . 6685 1 415 . 1 1 50 50 MET C C 13 174.014 0.5 . 1 . . . . 50 MET C . 6685 1 416 . 1 1 50 50 MET CA C 13 56.349 0.5 . 1 . . . . 50 MET CA . 6685 1 417 . 1 1 50 50 MET CB C 13 34.553 0.5 . 1 . . . . 50 MET CB . 6685 1 418 . 1 1 50 50 MET N N 15 124.640 0.1 . 1 . . . . 50 MET N . 6685 1 419 . 1 1 51 51 VAL H H 1 8.135 0.05 . 1 . . . . 51 VAL HN . 6685 1 420 . 1 1 51 51 VAL HA H 1 4.536 0.05 . 1 . . . . 51 VAL HA . 6685 1 421 . 1 1 51 51 VAL HB H 1 1.730 0.05 . 1 . . . . 51 VAL HB . 6685 1 422 . 1 1 51 51 VAL HG11 H 1 0.766 0.05 . 2 . . . . 51 VAL HG1 . 6685 1 423 . 1 1 51 51 VAL HG12 H 1 0.766 0.05 . 2 . . . . 51 VAL HG1 . 6685 1 424 . 1 1 51 51 VAL HG13 H 1 0.766 0.05 . 2 . . . . 51 VAL HG1 . 6685 1 425 . 1 1 51 51 VAL HG21 H 1 0.868 0.05 . 2 . . . . 51 VAL HG2 . 6685 1 426 . 1 1 51 51 VAL HG22 H 1 0.868 0.05 . 2 . . . . 51 VAL HG2 . 6685 1 427 . 1 1 51 51 VAL HG23 H 1 0.868 0.05 . 2 . . . . 51 VAL HG2 . 6685 1 428 . 1 1 51 51 VAL C C 13 176.109 0.5 . 1 . . . . 51 VAL C . 6685 1 429 . 1 1 51 51 VAL CA C 13 61.566 0.5 . 1 . . . . 51 VAL CA . 6685 1 430 . 1 1 51 51 VAL CB C 13 33.625 0.5 . 1 . . . . 51 VAL CB . 6685 1 431 . 1 1 51 51 VAL CG1 C 13 21.305 0.5 . 1 . . . . 51 VAL CG1 . 6685 1 432 . 1 1 51 51 VAL CG2 C 13 21.305 0.5 . 1 . . . . 51 VAL CG2 . 6685 1 433 . 1 1 51 51 VAL N N 15 120.920 0.1 . 1 . . . . 51 VAL N . 6685 1 434 . 1 1 52 52 THR H H 1 8.329 0.05 . 1 . . . . 52 THR HN . 6685 1 435 . 1 1 52 52 THR C C 13 174.014 0.5 . 1 . . . . 52 THR C . 6685 1 436 . 1 1 52 52 THR CA C 13 60.407 0.5 . 1 . . . . 52 THR CA . 6685 1 437 . 1 1 52 52 THR CB C 13 69.681 0.5 . 1 . . . . 52 THR CB . 6685 1 438 . 1 1 52 52 THR N N 15 116.668 0.1 . 1 . . . . 52 THR N . 6685 1 439 . 1 1 54 54 GLY HA2 H 1 3.930 0.05 . 2 . . . . 54 GLY HA1 . 6685 1 440 . 1 1 54 54 GLY HA3 H 1 3.754 0.05 . 2 . . . . 54 GLY HA2 . 6685 1 441 . 1 1 54 54 GLY C C 13 174.799 0.5 . 1 . . . . 54 GLY C . 6685 1 442 . 1 1 55 55 GLY H H 1 8.196 0.05 . 1 . . . . 55 GLY HN . 6685 1 443 . 1 1 55 55 GLY HA2 H 1 3.958 0.05 . 2 . . . . 55 GLY HA1 . 6685 1 444 . 1 1 55 55 GLY HA3 H 1 3.551 0.05 . 2 . . . . 55 GLY HA2 . 6685 1 445 . 1 1 55 55 GLY C C 13 173.489 0.5 . 1 . . . . 55 GLY C . 6685 1 446 . 1 1 55 55 GLY CA C 13 45.698 0.5 . 1 . . . . 55 GLY CA . 6685 1 447 . 1 1 55 55 GLY N N 15 107.900 0.1 . 1 . . . . 55 GLY N . 6685 1 448 . 1 1 56 56 TYR H H 1 8.528 0.05 . 1 . . . . 56 TYR HN . 6685 1 449 . 1 1 56 56 TYR C C 13 174.912 0.5 . 1 . . . . 56 TYR C . 6685 1 450 . 1 1 56 56 TYR CA C 13 55.614 0.5 . 1 . . . . 56 TYR CA . 6685 1 451 . 1 1 56 56 TYR CB C 13 39.348 0.5 . 1 . . . . 56 TYR CB . 6685 1 452 . 1 1 56 56 TYR N N 15 119.060 0.1 . 1 . . . . 56 TYR N . 6685 1 453 . 1 1 57 57 THR HA H 1 4.555 0.05 . 1 . . . . 57 THR HA . 6685 1 454 . 1 1 57 57 THR HB H 1 4.093 0.05 . 1 . . . . 57 THR HB . 6685 1 455 . 1 1 57 57 THR C C 13 175.115 0.5 . 1 . . . . 57 THR C . 6685 1 456 . 1 1 57 57 THR CA C 13 63.191 0.5 . 1 . . . . 57 THR CA . 6685 1 457 . 1 1 57 57 THR CB C 13 69.987 0.5 . 1 . . . . 57 THR CB . 6685 1 458 . 1 1 57 57 THR CG2 C 13 21.436 0.5 . 1 . . . . 57 THR CG2 . 6685 1 459 . 1 1 58 58 MET H H 1 8.876 0.05 . 1 . . . . 58 MET HN . 6685 1 460 . 1 1 58 58 MET C C 13 175.838 0.5 . 1 . . . . 58 MET C . 6685 1 461 . 1 1 58 58 MET CA C 13 58.177 0.5 . 1 . . . . 58 MET CA . 6685 1 462 . 1 1 58 58 MET CB C 13 34.571 0.5 . 1 . . . . 58 MET CB . 6685 1 463 . 1 1 58 58 MET N N 15 126.766 0.1 . 1 . . . . 58 MET N . 6685 1 464 . 1 1 60 60 VAL H H 1 8.128 0.05 . 1 . . . . 60 VAL HN . 6685 1 465 . 1 1 60 60 VAL HA H 1 4.671 0.05 . 1 . . . . 60 VAL HA . 6685 1 466 . 1 1 60 60 VAL HB H 1 3.280 0.05 . 1 . . . . 60 VAL HB . 6685 1 467 . 1 1 60 60 VAL HG11 H 1 2.373 0.05 . 2 . . . . 60 VAL HG1 . 6685 1 468 . 1 1 60 60 VAL HG12 H 1 2.373 0.05 . 2 . . . . 60 VAL HG1 . 6685 1 469 . 1 1 60 60 VAL HG13 H 1 2.373 0.05 . 2 . . . . 60 VAL HG1 . 6685 1 470 . 1 1 60 60 VAL HG21 H 1 2.511 0.05 . 2 . . . . 60 VAL HG2 . 6685 1 471 . 1 1 60 60 VAL HG22 H 1 2.511 0.05 . 2 . . . . 60 VAL HG2 . 6685 1 472 . 1 1 60 60 VAL HG23 H 1 2.511 0.05 . 2 . . . . 60 VAL HG2 . 6685 1 473 . 1 1 60 60 VAL C C 13 174.520 0.5 . 1 . . . . 60 VAL C . 6685 1 474 . 1 1 60 60 VAL CA C 13 64.116 0.5 . 1 . . . . 60 VAL CA . 6685 1 475 . 1 1 60 60 VAL CB C 13 35.712 0.5 . 1 . . . . 60 VAL CB . 6685 1 476 . 1 1 60 60 VAL CG1 C 13 23.300 0.5 . 1 . . . . 60 VAL CG1 . 6685 1 477 . 1 1 60 60 VAL CG2 C 13 23.300 0.5 . 1 . . . . 60 VAL CG2 . 6685 1 478 . 1 1 60 60 VAL N N 15 124.640 0.1 . 1 . . . . 60 VAL N . 6685 1 479 . 1 1 61 61 ALA H H 1 8.781 0.05 . 1 . . . . 61 ALA HN . 6685 1 480 . 1 1 61 61 ALA HA H 1 5.366 0.05 . 1 . . . . 61 ALA HA . 6685 1 481 . 1 1 61 61 ALA HB1 H 1 1.825 0.05 . 1 . . . . 61 ALA HB . 6685 1 482 . 1 1 61 61 ALA HB2 H 1 1.825 0.05 . 1 . . . . 61 ALA HB . 6685 1 483 . 1 1 61 61 ALA HB3 H 1 1.825 0.05 . 1 . . . . 61 ALA HB . 6685 1 484 . 1 1 61 61 ALA C C 13 176.822 0.5 . 1 . . . . 61 ALA C . 6685 1 485 . 1 1 61 61 ALA CA C 13 51.749 0.5 . 1 . . . . 61 ALA CA . 6685 1 486 . 1 1 61 61 ALA CB C 13 22.264 0.5 . 1 . . . . 61 ALA CB . 6685 1 487 . 1 1 61 61 ALA N N 15 129.955 0.1 . 1 . . . . 61 ALA N . 6685 1 488 . 1 1 62 62 MET H H 1 9.888 0.05 . 1 . . . . 62 MET HN . 6685 1 489 . 1 1 62 62 MET HA H 1 7.158 0.05 . 1 . . . . 62 MET HA . 6685 1 490 . 1 1 62 62 MET HB2 H 1 2.768 0.05 . 2 . . . . 62 MET HB1 . 6685 1 491 . 1 1 62 62 MET HB3 H 1 2.203 0.05 . 2 . . . . 62 MET HB2 . 6685 1 492 . 1 1 62 62 MET HG2 H 1 3.044 0.05 . 2 . . . . 62 MET HG2 . 6685 1 493 . 1 1 62 62 MET C C 13 176.915 0.5 . 1 . . . . 62 MET C . 6685 1 494 . 1 1 62 62 MET CA C 13 56.697 0.5 . 1 . . . . 62 MET CA . 6685 1 495 . 1 1 62 62 MET CB C 13 38.958 0.5 . 1 . . . . 62 MET CB . 6685 1 496 . 1 1 62 62 MET CG C 13 32.131 0.5 . 1 . . . . 62 MET CG . 6685 1 497 . 1 1 62 62 MET N N 15 119.857 0.1 . 1 . . . . 62 MET N . 6685 1 498 . 1 1 63 63 THR H H 1 9.339 0.05 . 1 . . . . 63 THR HN . 6685 1 499 . 1 1 63 63 THR HA H 1 4.065 0.05 . 1 . . . . 63 THR HA . 6685 1 500 . 1 1 63 63 THR HB H 1 3.829 0.05 . 1 . . . . 63 THR HB . 6685 1 501 . 1 1 63 63 THR HG21 H 1 1.500 0.05 . 1 . . . . 63 THR HG2 . 6685 1 502 . 1 1 63 63 THR HG22 H 1 1.500 0.05 . 1 . . . . 63 THR HG2 . 6685 1 503 . 1 1 63 63 THR HG23 H 1 1.500 0.05 . 1 . . . . 63 THR HG2 . 6685 1 504 . 1 1 63 63 THR C C 13 171.435 0.5 . 1 . . . . 63 THR C . 6685 1 505 . 1 1 63 63 THR CA C 13 61.102 0.5 . 1 . . . . 63 THR CA . 6685 1 506 . 1 1 63 63 THR CB C 13 69.565 0.5 . 1 . . . . 63 THR CB . 6685 1 507 . 1 1 63 63 THR CG2 C 13 36.700 0.5 . 1 . . . . 63 THR CG2 . 6685 1 508 . 1 1 63 63 THR N N 15 114.277 0.1 . 1 . . . . 63 THR N . 6685 1 509 . 1 1 64 64 ASN H H 1 8.333 0.05 . 1 . . . . 64 ASN HN . 6685 1 510 . 1 1 64 64 ASN HA H 1 5.783 0.05 . 1 . . . . 64 ASN HA . 6685 1 511 . 1 1 64 64 ASN HB2 H 1 1.303 0.05 . 2 . . . . 64 ASN HB1 . 6685 1 512 . 1 1 64 64 ASN HB3 H 1 0.234 0.05 . 2 . . . . 64 ASN HB2 . 6685 1 513 . 1 1 64 64 ASN C C 13 172.011 0.5 . 1 . . . . 64 ASN C . 6685 1 514 . 1 1 64 64 ASN CA C 13 52.755 0.5 . 1 . . . . 64 ASN CA . 6685 1 515 . 1 1 64 64 ASN CB C 13 45.915 0.5 . 1 . . . . 64 ASN CB . 6685 1 516 . 1 1 64 64 ASN N N 15 116.934 0.1 . 1 . . . . 64 ASN N . 6685 1 517 . 1 1 65 65 CYS H H 1 8.652 0.05 . 1 . . . . 65 CYS HN . 6685 1 518 . 1 1 65 65 CYS HA H 1 4.985 0.05 . 1 . . . . 65 CYS HA . 6685 1 519 . 1 1 65 65 CYS HB2 H 1 2.917 0.05 . 2 . . . . 65 CYS HB1 . 6685 1 520 . 1 1 65 65 CYS HB3 H 1 2.799 0.05 . 2 . . . . 65 CYS HB2 . 6685 1 521 . 1 1 65 65 CYS C C 13 171.896 0.5 . 1 . . . . 65 CYS C . 6685 1 522 . 1 1 65 65 CYS CA C 13 56.465 0.5 . 1 . . . . 65 CYS CA . 6685 1 523 . 1 1 65 65 CYS CB C 13 32.466 0.5 . 1 . . . . 65 CYS CB . 6685 1 524 . 1 1 65 65 CYS N N 15 107.900 0.1 . 1 . . . . 65 CYS N . 6685 1 525 . 1 1 66 66 GLY H H 1 8.579 0.05 . 1 . . . . 66 GLY HN . 6685 1 526 . 1 1 66 66 GLY HA2 H 1 4.364 0.05 . 2 . . . . 66 GLY HA1 . 6685 1 527 . 1 1 66 66 GLY HA3 H 1 3.506 0.05 . 2 . . . . 66 GLY HA2 . 6685 1 528 . 1 1 66 66 GLY C C 13 172.563 0.5 . 1 . . . . 66 GLY C . 6685 1 529 . 1 1 66 66 GLY CA C 13 43.828 0.5 . 1 . . . . 66 GLY CA . 6685 1 530 . 1 1 66 66 GLY N N 15 102.931 0.1 . 1 . . . . 66 GLY N . 6685 1 531 . 1 1 67 67 HIS H H 1 7.578 0.05 . 1 . . . . 67 HIS HN . 6685 1 532 . 1 1 67 67 HIS HA H 1 4.359 0.05 . 1 . . . . 67 HIS HA . 6685 1 533 . 1 1 67 67 HIS HB2 H 1 3.096 0.05 . 2 . . . . 67 HIS HB1 . 6685 1 534 . 1 1 67 67 HIS C C 13 175.787 0.5 . 1 . . . . 67 HIS C . 6685 1 535 . 1 1 67 67 HIS CA C 13 58.899 0.5 . 1 . . . . 67 HIS CA . 6685 1 536 . 1 1 67 67 HIS CB C 13 31.886 0.5 . 1 . . . . 67 HIS CB . 6685 1 537 . 1 1 67 67 HIS N N 15 117.200 0.1 . 1 . . . . 67 HIS N . 6685 1 538 . 1 1 68 68 LEU H H 1 7.703 0.05 . 1 . . . . 68 LEU HN . 6685 1 539 . 1 1 68 68 LEU C C 13 172.748 0.5 . 1 . . . . 68 LEU C . 6685 1 540 . 1 1 68 68 LEU CA C 13 53.334 0.5 . 1 . . . . 68 LEU CA . 6685 1 541 . 1 1 68 68 LEU CB C 13 47.654 0.5 . 1 . . . . 68 LEU CB . 6685 1 542 . 1 1 68 68 LEU N N 15 115.074 0.1 . 1 . . . . 68 LEU N . 6685 1 543 . 1 1 69 69 GLY H H 1 7.474 0.05 . 1 . . . . 69 GLY HN . 6685 1 544 . 1 1 69 69 GLY HA2 H 1 5.118 0.05 . 2 . . . . 69 GLY HA1 . 6685 1 545 . 1 1 69 69 GLY HA3 H 1 3.262 0.05 . 2 . . . . 69 GLY HA2 . 6685 1 546 . 1 1 69 69 GLY C C 13 171.113 0.5 . 1 . . . . 69 GLY C . 6685 1 547 . 1 1 69 69 GLY CA C 13 42.668 0.5 . 1 . . . . 69 GLY CA . 6685 1 548 . 1 1 69 69 GLY N N 15 102.319 0.1 . 1 . . . . 69 GLY N . 6685 1 549 . 1 1 70 70 TRP H H 1 6.899 0.05 . 1 . . . . 70 TRP HN . 6685 1 550 . 1 1 70 70 TRP C C 13 174.267 0.5 . 1 . . . . 70 TRP C . 6685 1 551 . 1 1 70 70 TRP CA C 13 58.204 0.5 . 1 . . . . 70 TRP CA . 6685 1 552 . 1 1 70 70 TRP CB C 13 29.220 0.5 . 1 . . . . 70 TRP CB . 6685 1 553 . 1 1 70 70 TRP N N 15 125.703 0.1 . 1 . . . . 70 TRP N . 6685 1 554 . 1 1 71 71 THR H H 1 6.865 0.05 . 1 . . . . 71 THR HN . 6685 1 555 . 1 1 71 71 THR HA H 1 3.868 0.05 . 1 . . . . 71 THR HA . 6685 1 556 . 1 1 71 71 THR HB H 1 3.743 0.05 . 1 . . . . 71 THR HB . 6685 1 557 . 1 1 71 71 THR HG21 H 1 0.928 0.05 . 1 . . . . 71 THR HG2 . 6685 1 558 . 1 1 71 71 THR HG22 H 1 0.928 0.05 . 1 . . . . 71 THR HG2 . 6685 1 559 . 1 1 71 71 THR HG23 H 1 0.928 0.05 . 1 . . . . 71 THR HG2 . 6685 1 560 . 1 1 71 71 THR C C 13 170.008 0.5 . 1 . . . . 71 THR C . 6685 1 561 . 1 1 71 71 THR CA C 13 60.407 0.5 . 1 . . . . 71 THR CA . 6685 1 562 . 1 1 71 71 THR CB C 13 71.768 0.5 . 1 . . . . 71 THR CB . 6685 1 563 . 1 1 71 71 THR N N 15 116.934 0.1 . 1 . . . . 71 THR N . 6685 1 564 . 1 1 72 72 SER H H 1 7.036 0.05 . 1 . . . . 72 SER HN . 6685 1 565 . 1 1 72 72 SER HA H 1 4.318 0.05 . 1 . . . . 72 SER HA . 6685 1 566 . 1 1 72 72 SER HB2 H 1 1.299 0.05 . 2 . . . . 72 SER HB1 . 6685 1 567 . 1 1 72 72 SER C C 13 172.633 0.5 . 1 . . . . 72 SER C . 6685 1 568 . 1 1 72 72 SER CA C 13 57.044 0.5 . 1 . . . . 72 SER CA . 6685 1 569 . 1 1 72 72 SER CB C 13 65.160 0.5 . 1 . . . . 72 SER CB . 6685 1 570 . 1 1 72 72 SER N N 15 114.277 0.1 . 1 . . . . 72 SER N . 6685 1 571 . 1 1 73 73 HIS H H 1 7.747 0.05 . 1 . . . . 73 HIS HN . 6685 1 572 . 1 1 73 73 HIS C C 13 174.497 0.5 . 1 . . . . 73 HIS C . 6685 1 573 . 1 1 73 73 HIS CA C 13 56.001 0.5 . 1 . . . . 73 HIS CA . 6685 1 574 . 1 1 73 73 HIS CB C 13 32.814 0.5 . 1 . . . . 73 HIS CB . 6685 1 575 . 1 1 73 73 HIS N N 15 123.312 0.1 . 1 . . . . 73 HIS N . 6685 1 576 . 1 1 78 78 LEU H H 1 8.024 0.05 . 1 . . . . 78 LEU HN . 6685 1 577 . 1 1 78 78 LEU C C 13 176.753 0.5 . 1 . . . . 78 LEU C . 6685 1 578 . 1 1 78 78 LEU CA C 13 56.233 0.5 . 1 . . . . 78 LEU CA . 6685 1 579 . 1 1 78 78 LEU CB C 13 42.668 0.5 . 1 . . . . 78 LEU CB . 6685 1 580 . 1 1 78 78 LEU N N 15 122.514 0.1 . 1 . . . . 78 LEU N . 6685 1 581 . 1 1 79 79 TYR H H 1 8.182 0.05 . 1 . . . . 79 TYR HN . 6685 1 582 . 1 1 79 79 TYR HA H 1 4.444 0.05 . 1 . . . . 79 TYR HA . 6685 1 583 . 1 1 79 79 TYR HB2 H 1 2.390 0.05 . 2 . . . . 79 TYR HB1 . 6685 1 584 . 1 1 79 79 TYR HB3 H 1 2.110 0.05 . 2 . . . . 79 TYR HB2 . 6685 1 585 . 1 1 79 79 TYR C C 13 175.763 0.5 . 1 . . . . 79 TYR C . 6685 1 586 . 1 1 79 79 TYR CA C 13 58.436 0.5 . 1 . . . . 79 TYR CA . 6685 1 587 . 1 1 79 79 TYR CB C 13 40.002 0.5 . 1 . . . . 79 TYR CB . 6685 1 588 . 1 1 79 79 TYR N N 15 120.389 0.1 . 1 . . . . 79 TYR N . 6685 1 589 . 1 1 80 80 SER H H 1 8.687 0.05 . 1 . . . . 80 SER HN . 6685 1 590 . 1 1 80 80 SER C C 13 175.372 0.5 . 1 . . . . 80 SER C . 6685 1 591 . 1 1 80 80 SER CA C 13 54.146 0.5 . 1 . . . . 80 SER CA . 6685 1 592 . 1 1 80 80 SER CB C 13 66.899 0.5 . 1 . . . . 80 SER CB . 6685 1 593 . 1 1 80 80 SER N N 15 115.340 0.1 . 1 . . . . 80 SER N . 6685 1 594 . 1 1 81 81 PRO HA H 1 5.268 0.05 . 1 . . . . 81 PRO HA . 6685 1 595 . 1 1 81 81 PRO HB2 H 1 2.208 0.05 . 2 . . . . 81 PRO HB1 . 6685 1 596 . 1 1 81 81 PRO HB3 H 1 2.068 0.05 . 2 . . . . 81 PRO HB2 . 6685 1 597 . 1 1 81 81 PRO HG2 H 1 2.027 0.05 . 2 . . . . 81 PRO HG1 . 6685 1 598 . 1 1 81 81 PRO HG3 H 1 1.989 0.05 . 2 . . . . 81 PRO HG2 . 6685 1 599 . 1 1 81 81 PRO HD2 H 1 3.935 0.05 . 2 . . . . 81 PRO HD1 . 6685 1 600 . 1 1 81 81 PRO HD3 H 1 3.644 0.05 . 2 . . . . 81 PRO HD2 . 6685 1 601 . 1 1 81 81 PRO C C 13 174.560 0.5 . 1 . . . . 81 PRO C . 6685 1 602 . 1 1 81 81 PRO CA C 13 64.436 0.5 . 1 . . . . 81 PRO CA . 6685 1 603 . 1 1 81 81 PRO CB C 13 31.862 0.5 . 1 . . . . 81 PRO CB . 6685 1 604 . 1 1 81 81 PRO CG C 13 26.912 0.5 . 1 . . . . 81 PRO CG . 6685 1 605 . 1 1 81 81 PRO CD C 13 51.579 0.5 . 1 . . . . 81 PRO CD . 6685 1 606 . 1 1 82 82 ILE H H 1 7.246 0.05 . 1 . . . . 82 ILE HN . 6685 1 607 . 1 1 82 82 ILE HA H 1 3.758 0.05 . 1 . . . . 82 ILE HA . 6685 1 608 . 1 1 82 82 ILE HB H 1 1.292 0.05 . 1 . . . . 82 ILE HB . 6685 1 609 . 1 1 82 82 ILE HG12 H 1 1.039 0.05 . 1 . . . . 82 ILE HG11 . 6685 1 610 . 1 1 82 82 ILE HG13 H 1 0.900 0.05 . 1 . . . . 82 ILE HG12 . 6685 1 611 . 1 1 82 82 ILE HG21 H 1 0.286 0.05 . 1 . . . . 82 ILE HG2 . 6685 1 612 . 1 1 82 82 ILE HG22 H 1 0.286 0.05 . 1 . . . . 82 ILE HG2 . 6685 1 613 . 1 1 82 82 ILE HG23 H 1 0.286 0.05 . 1 . . . . 82 ILE HG2 . 6685 1 614 . 1 1 82 82 ILE HD11 H 1 0.423 0.05 . 1 . . . . 82 ILE HD1 . 6685 1 615 . 1 1 82 82 ILE HD12 H 1 0.423 0.05 . 1 . . . . 82 ILE HD1 . 6685 1 616 . 1 1 82 82 ILE HD13 H 1 0.423 0.05 . 1 . . . . 82 ILE HD1 . 6685 1 617 . 1 1 82 82 ILE C C 13 174.221 0.5 . 1 . . . . 82 ILE C . 6685 1 618 . 1 1 82 82 ILE CA C 13 58.088 0.5 . 1 . . . . 82 ILE CA . 6685 1 619 . 1 1 82 82 ILE CB C 13 41.045 0.5 . 1 . . . . 82 ILE CB . 6685 1 620 . 1 1 82 82 ILE CG2 C 13 17.710 0.5 . 1 . . . . 82 ILE CG2 . 6685 1 621 . 1 1 82 82 ILE CD1 C 13 11.400 0.5 . 1 . . . . 82 ILE CD1 . 6685 1 622 . 1 1 82 82 ILE N N 15 116.137 0.1 . 1 . . . . 82 ILE N . 6685 1 623 . 1 1 83 83 ASP H H 1 7.718 0.05 . 1 . . . . 83 ASP HN . 6685 1 624 . 1 1 83 83 ASP C C 13 175.556 0.5 . 1 . . . . 83 ASP C . 6685 1 625 . 1 1 83 83 ASP CA C 13 51.479 0.5 . 1 . . . . 83 ASP CA . 6685 1 626 . 1 1 83 83 ASP CB C 13 41.045 0.5 . 1 . . . . 83 ASP CB . 6685 1 627 . 1 1 83 83 ASP N N 15 126.500 0.1 . 1 . . . . 83 ASP N . 6685 1 628 . 1 1 84 84 PRO HA H 1 4.148 0.05 . 1 . . . . 84 PRO HA . 6685 1 629 . 1 1 84 84 PRO HB2 H 1 2.172 0.05 . 2 . . . . 84 PRO HB1 . 6685 1 630 . 1 1 84 84 PRO HB3 H 1 1.851 0.05 . 2 . . . . 84 PRO HB2 . 6685 1 631 . 1 1 84 84 PRO C C 13 177.805 0.5 . 1 . . . . 84 PRO C . 6685 1 632 . 1 1 84 84 PRO CA C 13 64.171 0.5 . 1 . . . . 84 PRO CA . 6685 1 633 . 1 1 84 84 PRO CB C 13 31.862 0.5 . 1 . . . . 84 PRO CB . 6685 1 634 . 1 1 84 84 PRO CG C 13 26.120 0.5 . 1 . . . . 84 PRO CG . 6685 1 635 . 1 1 84 84 PRO CD C 13 50.227 0.5 . 1 . . . . 84 PRO CD . 6685 1 636 . 1 1 85 85 GLN H H 1 8.730 0.05 . 1 . . . . 85 GLN HN . 6685 1 637 . 1 1 85 85 GLN HA H 1 4.136 0.05 . 1 . . . . 85 GLN HA . 6685 1 638 . 1 1 85 85 GLN HB2 H 1 2.152 0.05 . 1 . . . . 85 GLN HB1 . 6685 1 639 . 1 1 85 85 GLN HB3 H 1 2.152 0.05 . 1 . . . . 85 GLN HB2 . 6685 1 640 . 1 1 85 85 GLN C C 13 177.260 0.5 . 1 . . . . 85 GLN C . 6685 1 641 . 1 1 85 85 GLN CA C 13 58.088 0.5 . 1 . . . . 85 GLN CA . 6685 1 642 . 1 1 85 85 GLN CB C 13 29.799 0.5 . 1 . . . . 85 GLN CB . 6685 1 643 . 1 1 85 85 GLN N N 15 116.137 0.1 . 1 . . . . 85 GLN N . 6685 1 644 . 1 1 86 86 THR H H 1 6.773 0.05 . 1 . . . . 86 THR HN . 6685 1 645 . 1 1 86 86 THR HA H 1 4.290 0.05 . 1 . . . . 86 THR HA . 6685 1 646 . 1 1 86 86 THR HB H 1 4.206 0.05 . 1 . . . . 86 THR HB . 6685 1 647 . 1 1 86 86 THR C C 13 175.648 0.5 . 1 . . . . 86 THR C . 6685 1 648 . 1 1 86 86 THR CA C 13 61.450 0.5 . 1 . . . . 86 THR CA . 6685 1 649 . 1 1 86 86 THR CB C 13 70.957 0.5 . 1 . . . . 86 THR CB . 6685 1 650 . 1 1 86 86 THR N N 15 106.040 0.1 . 1 . . . . 86 THR N . 6685 1 651 . 1 1 87 87 ASN H H 1 8.750 0.05 . 1 . . . . 87 ASN HN . 6685 1 652 . 1 1 87 87 ASN HA H 1 3.913 0.05 . 1 . . . . 87 ASN HA . 6685 1 653 . 1 1 87 87 ASN HB2 H 1 3.019 0.05 . 2 . . . . 87 ASN HB1 . 6685 1 654 . 1 1 87 87 ASN HB3 H 1 2.655 0.05 . 2 . . . . 87 ASN HB2 . 6685 1 655 . 1 1 87 87 ASN C C 13 173.323 0.5 . 1 . . . . 87 ASN C . 6685 1 656 . 1 1 87 87 ASN CA C 13 55.421 0.5 . 1 . . . . 87 ASN CA . 6685 1 657 . 1 1 87 87 ASN CB C 13 38.379 0.5 . 1 . . . . 87 ASN CB . 6685 1 658 . 1 1 87 87 ASN N N 15 117.466 0.1 . 1 . . . . 87 ASN N . 6685 1 659 . 1 1 88 88 LYS H H 1 7.661 0.05 . 1 . . . . 88 LYS HN . 6685 1 660 . 1 1 88 88 LYS C C 13 172.379 0.5 . 1 . . . . 88 LYS C . 6685 1 661 . 1 1 88 88 LYS CA C 13 54.262 0.5 . 1 . . . . 88 LYS CA . 6685 1 662 . 1 1 88 88 LYS CB C 13 34.553 0.5 . 1 . . . . 88 LYS CB . 6685 1 663 . 1 1 88 88 LYS N N 15 118.263 0.1 . 1 . . . . 88 LYS N . 6685 1 664 . 1 1 89 89 PRO HA H 1 4.658 0.05 . 1 . . . . 89 PRO HA . 6685 1 665 . 1 1 89 89 PRO HB2 H 1 2.442 0.05 . 2 . . . . 89 PRO HB1 . 6685 1 666 . 1 1 89 89 PRO HB3 H 1 1.734 0.05 . 2 . . . . 89 PRO HB2 . 6685 1 667 . 1 1 89 89 PRO C C 13 176.970 0.5 . 1 . . . . 89 PRO C . 6685 1 668 . 1 1 89 89 PRO CA C 13 63.512 0.5 . 1 . . . . 89 PRO CA . 6685 1 669 . 1 1 89 89 PRO CB C 13 32.540 0.5 . 1 . . . . 89 PRO CB . 6685 1 670 . 1 1 90 90 TRP H H 1 6.893 0.05 . 1 . . . . 90 TRP HN . 6685 1 671 . 1 1 90 90 TRP C C 13 173.178 0.5 . 1 . . . . 90 TRP C . 6685 1 672 . 1 1 90 90 TRP CA C 13 56.365 0.5 . 1 . . . . 90 TRP CA . 6685 1 673 . 1 1 90 90 TRP CB C 13 27.233 0.5 . 1 . . . . 90 TRP CB . 6685 1 674 . 1 1 90 90 TRP N N 15 122.860 0.1 . 1 . . . . 90 TRP N . 6685 1 675 . 1 1 91 91 PRO HA H 1 4.380 0.05 . 1 . . . . 91 PRO HA . 6685 1 676 . 1 1 91 91 PRO C C 13 174.358 0.5 . 1 . . . . 91 PRO C . 6685 1 677 . 1 1 91 91 PRO CA C 13 63.021 0.5 . 1 . . . . 91 PRO CA . 6685 1 678 . 1 1 91 91 PRO CB C 13 32.548 0.5 . 1 . . . . 91 PRO CB . 6685 1 679 . 1 1 92 92 ALA H H 1 8.070 0.05 . 1 . . . . 92 ALA HN . 6685 1 680 . 1 1 92 92 ALA HA H 1 3.984 0.05 . 1 . . . . 92 ALA HA . 6685 1 681 . 1 1 92 92 ALA HB1 H 1 1.243 0.05 . 1 . . . . 92 ALA HB . 6685 1 682 . 1 1 92 92 ALA HB2 H 1 1.243 0.05 . 1 . . . . 92 ALA HB . 6685 1 683 . 1 1 92 92 ALA HB3 H 1 1.243 0.05 . 1 . . . . 92 ALA HB . 6685 1 684 . 1 1 92 92 ALA C C 13 177.743 0.5 . 1 . . . . 92 ALA C . 6685 1 685 . 1 1 92 92 ALA CA C 13 52.059 0.5 . 1 . . . . 92 ALA CA . 6685 1 686 . 1 1 92 92 ALA CB C 13 19.365 0.5 . 1 . . . . 92 ALA CB . 6685 1 687 . 1 1 92 92 ALA N N 15 121.983 0.1 . 1 . . . . 92 ALA N . 6685 1 688 . 1 1 93 93 MET H H 1 8.567 0.05 . 1 . . . . 93 MET HN . 6685 1 689 . 1 1 93 93 MET C C 13 174.336 0.5 . 1 . . . . 93 MET C . 6685 1 690 . 1 1 93 93 MET CA C 13 55.073 0.5 . 1 . . . . 93 MET CA . 6685 1 691 . 1 1 93 93 MET CB C 13 33.509 0.5 . 1 . . . . 93 MET CB . 6685 1 692 . 1 1 93 93 MET N N 15 120.920 0.1 . 1 . . . . 93 MET N . 6685 1 693 . 1 1 94 94 PRO HA H 1 4.310 0.05 . 1 . . . . 94 PRO HA . 6685 1 694 . 1 1 94 94 PRO HB2 H 1 2.134 0.05 . 2 . . . . 94 PRO HB1 . 6685 1 695 . 1 1 94 94 PRO C C 13 176.971 0.5 . 1 . . . . 94 PRO C . 6685 1 696 . 1 1 94 94 PRO CA C 13 63.260 0.5 . 1 . . . . 94 PRO CA . 6685 1 697 . 1 1 94 94 PRO CB C 13 33.391 0.5 . 1 . . . . 94 PRO CB . 6685 1 698 . 1 1 95 95 GLN H H 1 9.010 0.05 . 1 . . . . 95 GLN HN . 6685 1 699 . 1 1 95 95 GLN HA H 1 4.065 0.05 . 1 . . . . 95 GLN HA . 6685 1 700 . 1 1 95 95 GLN HB2 H 1 2.148 0.05 . 2 . . . . 95 GLN HB1 . 6685 1 701 . 1 1 95 95 GLN HB3 H 1 2.049 0.05 . 2 . . . . 95 GLN HB2 . 6685 1 702 . 1 1 95 95 GLN HG2 H 1 2.434 0.05 . 2 . . . . 95 GLN HG1 . 6685 1 703 . 1 1 95 95 GLN HG3 H 1 2.330 0.05 . 2 . . . . 95 GLN HG2 . 6685 1 704 . 1 1 95 95 GLN C C 13 178.595 0.5 . 1 . . . . 95 GLN C . 6685 1 705 . 1 1 95 95 GLN CA C 13 60.059 0.5 . 1 . . . . 95 GLN CA . 6685 1 706 . 1 1 95 95 GLN CB C 13 28.988 0.5 . 1 . . . . 95 GLN CB . 6685 1 707 . 1 1 95 95 GLN CG C 13 33.608 0.5 . 1 . . . . 95 GLN CG . 6685 1 708 . 1 1 95 95 GLN N N 15 125.703 0.1 . 1 . . . . 95 GLN N . 6685 1 709 . 1 1 96 96 SER H H 1 9.067 0.05 . 1 . . . . 96 SER HN . 6685 1 710 . 1 1 96 96 SER HA H 1 3.907 0.05 . 1 . . . . 96 SER HA . 6685 1 711 . 1 1 96 96 SER HB2 H 1 1.355 0.05 . 2 . . . . 96 SER HB1 . 6685 1 712 . 1 1 96 96 SER HB3 H 1 1.036 0.05 . 2 . . . . 96 SER HB2 . 6685 1 713 . 1 1 96 96 SER C C 13 177.467 0.5 . 1 . . . . 96 SER C . 6685 1 714 . 1 1 96 96 SER CA C 13 62.030 0.5 . 1 . . . . 96 SER CA . 6685 1 715 . 1 1 96 96 SER CB C 13 54.146 0.5 . 1 . . . . 96 SER CB . 6685 1 716 . 1 1 96 96 SER N N 15 115.340 0.1 . 1 . . . . 96 SER N . 6685 1 717 . 1 1 97 97 PHE H H 1 7.086 0.05 . 1 . . . . 97 PHE HN . 6685 1 718 . 1 1 97 97 PHE HA H 1 4.276 0.05 . 1 . . . . 97 PHE HA . 6685 1 719 . 1 1 97 97 PHE HB2 H 1 3.801 0.05 . 2 . . . . 97 PHE HB1 . 6685 1 720 . 1 1 97 97 PHE HB3 H 1 3.326 0.05 . 2 . . . . 97 PHE HB2 . 6685 1 721 . 1 1 97 97 PHE C C 13 176.040 0.5 . 1 . . . . 97 PHE C . 6685 1 722 . 1 1 97 97 PHE CA C 13 59.711 0.5 . 1 . . . . 97 PHE CA . 6685 1 723 . 1 1 97 97 PHE CB C 13 38.379 0.5 . 1 . . . . 97 PHE CB . 6685 1 724 . 1 1 97 97 PHE N N 15 124.640 0.1 . 1 . . . . 97 PHE N . 6685 1 725 . 1 1 98 98 HIS H H 1 7.784 0.05 . 1 . . . . 98 HIS HN . 6685 1 726 . 1 1 98 98 HIS HA H 1 3.781 0.05 . 1 . . . . 98 HIS HA . 6685 1 727 . 1 1 98 98 HIS HB2 H 1 3.034 0.05 . 1 . . . . 98 HIS HB1 . 6685 1 728 . 1 1 98 98 HIS HB3 H 1 3.034 0.05 . 1 . . . . 98 HIS HB2 . 6685 1 729 . 1 1 98 98 HIS C C 13 177.789 0.5 . 1 . . . . 98 HIS C . 6685 1 730 . 1 1 98 98 HIS CA C 13 61.334 0.5 . 1 . . . . 98 HIS CA . 6685 1 731 . 1 1 98 98 HIS CB C 13 31.770 0.5 . 1 . . . . 98 HIS CB . 6685 1 732 . 1 1 98 98 HIS N N 15 118.794 0.1 . 1 . . . . 98 HIS N . 6685 1 733 . 1 1 99 99 ASN H H 1 8.723 0.05 . 1 . . . . 99 ASN HN . 6685 1 734 . 1 1 99 99 ASN HA H 1 4.360 0.05 . 1 . . . . 99 ASN HA . 6685 1 735 . 1 1 99 99 ASN HB2 H 1 2.837 0.05 . 2 . . . . 99 ASN HB1 . 6685 1 736 . 1 1 99 99 ASN HB3 H 1 2.697 0.05 . 2 . . . . 99 ASN HB2 . 6685 1 737 . 1 1 99 99 ASN C C 13 177.260 0.5 . 1 . . . . 99 ASN C . 6685 1 738 . 1 1 99 99 ASN CA C 13 56.928 0.5 . 1 . . . . 99 ASN CA . 6685 1 739 . 1 1 99 99 ASN CB C 13 39.190 0.5 . 1 . . . . 99 ASN CB . 6685 1 740 . 1 1 99 99 ASN N N 15 116.137 0.1 . 1 . . . . 99 ASN N . 6685 1 741 . 1 1 100 100 LEU H H 1 7.488 0.05 . 1 . . . . 100 LEU HN . 6685 1 742 . 1 1 100 100 LEU HA H 1 4.069 0.05 . 1 . . . . 100 LEU HA . 6685 1 743 . 1 1 100 100 LEU HB2 H 1 1.909 0.05 . 2 . . . . 100 LEU HB1 . 6685 1 744 . 1 1 100 100 LEU HB3 H 1 1.816 0.05 . 2 . . . . 100 LEU HB2 . 6685 1 745 . 1 1 100 100 LEU C C 13 178.089 0.5 . 1 . . . . 100 LEU C . 6685 1 746 . 1 1 100 100 LEU CA C 13 58.088 0.5 . 1 . . . . 100 LEU CA . 6685 1 747 . 1 1 100 100 LEU CB C 13 41.625 0.5 . 1 . . . . 100 LEU CB . 6685 1 748 . 1 1 100 100 LEU N N 15 119.326 0.1 . 1 . . . . 100 LEU N . 6685 1 749 . 1 1 101 101 CYS H H 1 8.069 0.05 . 1 . . . . 101 CYS HN . 6685 1 750 . 1 1 101 101 CYS HA H 1 3.186 0.05 . 1 . . . . 101 CYS HA . 6685 1 751 . 1 1 101 101 CYS HB2 H 1 2.155 0.05 . 2 . . . . 101 CYS HB1 . 6685 1 752 . 1 1 101 101 CYS HB3 H 1 0.629 0.05 . 2 . . . . 101 CYS HB2 . 6685 1 753 . 1 1 101 101 CYS C C 13 175.464 0.5 . 1 . . . . 101 CYS C . 6685 1 754 . 1 1 101 101 CYS CA C 13 63.305 0.5 . 1 . . . . 101 CYS CA . 6685 1 755 . 1 1 101 101 CYS CB C 13 25.510 0.5 . 1 . . . . 101 CYS CB . 6685 1 756 . 1 1 101 101 CYS N N 15 117.466 0.1 . 1 . . . . 101 CYS N . 6685 1 757 . 1 1 102 102 GLN H H 1 7.859 0.05 . 1 . . . . 102 GLN HN . 6685 1 758 . 1 1 102 102 GLN HA H 1 4.081 0.05 . 1 . . . . 102 GLN HA . 6685 1 759 . 1 1 102 102 GLN HB2 H 1 1.986 0.05 . 1 . . . . 102 GLN HB1 . 6685 1 760 . 1 1 102 102 GLN HB3 H 1 1.986 0.05 . 1 . . . . 102 GLN HB2 . 6685 1 761 . 1 1 102 102 GLN C C 13 179.424 0.5 . 1 . . . . 102 GLN C . 6685 1 762 . 1 1 102 102 GLN CA C 13 60.175 0.5 . 1 . . . . 102 GLN CA . 6685 1 763 . 1 1 102 102 GLN CB C 13 29.220 0.5 . 1 . . . . 102 GLN CB . 6685 1 764 . 1 1 102 102 GLN N N 15 117.200 0.1 . 1 . . . . 102 GLN N . 6685 1 765 . 1 1 103 103 ARG H H 1 7.953 0.05 . 1 . . . . 103 ARG HN . 6685 1 766 . 1 1 103 103 ARG HA H 1 4.039 0.05 . 1 . . . . 103 ARG HA . 6685 1 767 . 1 1 103 103 ARG HB2 H 1 2.096 0.05 . 2 . . . . 103 ARG HB1 . 6685 1 768 . 1 1 103 103 ARG C C 13 179.516 0.5 . 1 . . . . 103 ARG C . 6685 1 769 . 1 1 103 103 ARG CA C 13 60.407 0.5 . 1 . . . . 103 ARG CA . 6685 1 770 . 1 1 103 103 ARG CB C 13 30.727 0.5 . 1 . . . . 103 ARG CB . 6685 1 771 . 1 1 103 103 ARG N N 15 119.857 0.1 . 1 . . . . 103 ARG N . 6685 1 772 . 1 1 104 104 ALA H H 1 8.596 0.05 . 1 . . . . 104 ALA HN . 6685 1 773 . 1 1 104 104 ALA HA H 1 3.122 0.05 . 1 . . . . 104 ALA HA . 6685 1 774 . 1 1 104 104 ALA HB1 H 1 0.791 0.05 . 1 . . . . 104 ALA HB . 6685 1 775 . 1 1 104 104 ALA HB2 H 1 0.791 0.05 . 1 . . . . 104 ALA HB . 6685 1 776 . 1 1 104 104 ALA HB3 H 1 0.791 0.05 . 1 . . . . 104 ALA HB . 6685 1 777 . 1 1 104 104 ALA C C 13 177.766 0.5 . 1 . . . . 104 ALA C . 6685 1 778 . 1 1 104 104 ALA CA C 13 55.189 0.5 . 1 . . . . 104 ALA CA . 6685 1 779 . 1 1 104 104 ALA CB C 13 18.901 0.5 . 1 . . . . 104 ALA CB . 6685 1 780 . 1 1 104 104 ALA N N 15 123.046 0.1 . 1 . . . . 104 ALA N . 6685 1 781 . 1 1 105 105 ALA H H 1 8.709 0.05 . 1 . . . . 105 ALA HN . 6685 1 782 . 1 1 105 105 ALA HA H 1 3.554 0.05 . 1 . . . . 105 ALA HA . 6685 1 783 . 1 1 105 105 ALA HB1 H 1 1.594 0.05 . 1 . . . . 105 ALA HB . 6685 1 784 . 1 1 105 105 ALA HB2 H 1 1.594 0.05 . 1 . . . . 105 ALA HB . 6685 1 785 . 1 1 105 105 ALA HB3 H 1 1.594 0.05 . 1 . . . . 105 ALA HB . 6685 1 786 . 1 1 105 105 ALA C C 13 180.022 0.5 . 1 . . . . 105 ALA C . 6685 1 787 . 1 1 105 105 ALA CA C 13 56.697 0.5 . 1 . . . . 105 ALA CA . 6685 1 788 . 1 1 105 105 ALA CB C 13 18.438 0.5 . 1 . . . . 105 ALA CB . 6685 1 789 . 1 1 105 105 ALA N N 15 119.060 0.1 . 1 . . . . 105 ALA N . 6685 1 790 . 1 1 106 106 THR H H 1 7.989 0.05 . 1 . . . . 106 THR HN . 6685 1 791 . 1 1 106 106 THR CA C 13 69.098 0.5 . 1 . . . . 106 THR CA . 6685 1 792 . 1 1 106 106 THR N N 15 114.277 0.1 . 1 . . . . 106 THR N . 6685 1 793 . 1 1 107 107 ALA H H 1 7.803 0.05 . 1 . . . . 107 ALA HN . 6685 1 794 . 1 1 107 107 ALA HA H 1 4.013 0.05 . 1 . . . . 107 ALA HA . 6685 1 795 . 1 1 107 107 ALA HB1 H 1 1.286 0.05 . 1 . . . . 107 ALA HB . 6685 1 796 . 1 1 107 107 ALA HB2 H 1 1.286 0.05 . 1 . . . . 107 ALA HB . 6685 1 797 . 1 1 107 107 ALA HB3 H 1 1.286 0.05 . 1 . . . . 107 ALA HB . 6685 1 798 . 1 1 107 107 ALA C C 13 178.365 0.5 . 1 . . . . 107 ALA C . 6685 1 799 . 1 1 107 107 ALA CA C 13 55.769 0.5 . 1 . . . . 107 ALA CA . 6685 1 800 . 1 1 107 107 ALA CB C 13 18.434 0.5 . 1 . . . . 107 ALA CB . 6685 1 801 . 1 1 107 107 ALA N N 15 125.437 0.1 . 1 . . . . 107 ALA N . 6685 1 802 . 1 1 108 108 ALA H H 1 7.479 0.05 . 1 . . . . 108 ALA HN . 6685 1 803 . 1 1 108 108 ALA HA H 1 4.053 0.05 . 1 . . . . 108 ALA HA . 6685 1 804 . 1 1 108 108 ALA HB1 H 1 1.258 0.05 . 1 . . . . 108 ALA HB . 6685 1 805 . 1 1 108 108 ALA HB2 H 1 1.258 0.05 . 1 . . . . 108 ALA HB . 6685 1 806 . 1 1 108 108 ALA HB3 H 1 1.258 0.05 . 1 . . . . 108 ALA HB . 6685 1 807 . 1 1 108 108 ALA C C 13 175.257 0.5 . 1 . . . . 108 ALA C . 6685 1 808 . 1 1 108 108 ALA CA C 13 52.407 0.5 . 1 . . . . 108 ALA CA . 6685 1 809 . 1 1 108 108 ALA CB C 13 21.220 0.5 . 1 . . . . 108 ALA CB . 6685 1 810 . 1 1 108 108 ALA N N 15 116.403 0.1 . 1 . . . . 108 ALA N . 6685 1 811 . 1 1 109 109 GLY H H 1 7.367 0.05 . 1 . . . . 109 GLY HN . 6685 1 812 . 1 1 109 109 GLY HA2 H 1 4.039 0.05 . 2 . . . . 109 GLY HA1 . 6685 1 813 . 1 1 109 109 GLY HA3 H 1 3.396 0.05 . 2 . . . . 109 GLY HA2 . 6685 1 814 . 1 1 109 109 GLY C C 13 175.530 0.5 . 1 . . . . 109 GLY C . 6685 1 815 . 1 1 109 109 GLY CA C 13 45.567 0.5 . 1 . . . . 109 GLY CA . 6685 1 816 . 1 1 109 109 GLY N N 15 103.117 0.1 . 1 . . . . 109 GLY N . 6685 1 817 . 1 1 110 110 TYR H H 1 6.986 0.05 . 1 . . . . 110 TYR HN . 6685 1 818 . 1 1 110 110 TYR C C 13 175.096 0.5 . 1 . . . . 110 TYR C . 6685 1 819 . 1 1 110 110 TYR CA C 13 57.044 0.5 . 1 . . . . 110 TYR CA . 6685 1 820 . 1 1 110 110 TYR CB C 13 39.886 0.5 . 1 . . . . 110 TYR CB . 6685 1 821 . 1 1 110 110 TYR N N 15 119.060 0.1 . 1 . . . . 110 TYR N . 6685 1 822 . 1 1 111 111 PRO HA H 1 4.425 0.05 . 1 . . . . 111 PRO HA . 6685 1 823 . 1 1 111 111 PRO HB2 H 1 2.193 0.05 . 2 . . . . 111 PRO HB1 . 6685 1 824 . 1 1 111 111 PRO HB3 H 1 2.036 0.05 . 2 . . . . 111 PRO HB2 . 6685 1 825 . 1 1 111 111 PRO C C 13 176.782 0.5 . 1 . . . . 111 PRO C . 6685 1 826 . 1 1 111 111 PRO CA C 13 64.172 0.5 . 1 . . . . 111 PRO CA . 6685 1 827 . 1 1 111 111 PRO CB C 13 32.835 0.5 . 1 . . . . 111 PRO CB . 6685 1 828 . 1 1 112 112 ASP H H 1 8.527 0.05 . 1 . . . . 112 ASP HN . 6685 1 829 . 1 1 112 112 ASP HA H 1 4.681 0.05 . 1 . . . . 112 ASP HA . 6685 1 830 . 1 1 112 112 ASP HB2 H 1 2.795 0.05 . 2 . . . . 112 ASP HB1 . 6685 1 831 . 1 1 112 112 ASP HB3 H 1 2.683 0.05 . 2 . . . . 112 ASP HB2 . 6685 1 832 . 1 1 112 112 ASP C C 13 175.717 0.5 . 1 . . . . 112 ASP C . 6685 1 833 . 1 1 112 112 ASP CA C 13 54.378 0.5 . 1 . . . . 112 ASP CA . 6685 1 834 . 1 1 112 112 ASP CB C 13 41.393 0.5 . 1 . . . . 112 ASP CB . 6685 1 835 . 1 1 112 112 ASP N N 15 117.731 0.1 . 1 . . . . 112 ASP N . 6685 1 836 . 1 1 113 113 PHE H H 1 7.456 0.05 . 1 . . . . 113 PHE HN . 6685 1 837 . 1 1 113 113 PHE HA H 1 4.625 0.05 . 1 . . . . 113 PHE HA . 6685 1 838 . 1 1 113 113 PHE HB2 H 1 2.921 0.05 . 2 . . . . 113 PHE HB1 . 6685 1 839 . 1 1 113 113 PHE HB3 H 1 2.739 0.05 . 2 . . . . 113 PHE HB2 . 6685 1 840 . 1 1 113 113 PHE C C 13 174.658 0.5 . 1 . . . . 113 PHE C . 6685 1 841 . 1 1 113 113 PHE CA C 13 57.392 0.5 . 1 . . . . 113 PHE CA . 6685 1 842 . 1 1 113 113 PHE CB C 13 39.770 0.5 . 1 . . . . 113 PHE CB . 6685 1 843 . 1 1 113 113 PHE N N 15 120.389 0.1 . 1 . . . . 113 PHE N . 6685 1 844 . 1 1 114 114 GLN H H 1 8.462 0.05 . 1 . . . . 114 GLN HN . 6685 1 845 . 1 1 114 114 GLN C C 13 171.712 0.5 . 1 . . . . 114 GLN C . 6685 1 846 . 1 1 114 114 GLN CA C 13 52.523 0.5 . 1 . . . . 114 GLN CA . 6685 1 847 . 1 1 114 114 GLN CB C 13 30.623 0.5 . 1 . . . . 114 GLN CB . 6685 1 848 . 1 1 114 114 GLN N N 15 129.689 0.1 . 1 . . . . 114 GLN N . 6685 1 849 . 1 1 115 115 PRO HA H 1 3.549 0.05 . 1 . . . . 115 PRO HA . 6685 1 850 . 1 1 115 115 PRO HB2 H 1 1.572 0.05 . 2 . . . . 115 PRO HB1 . 6685 1 851 . 1 1 115 115 PRO C C 13 175.904 0.5 . 1 . . . . 115 PRO C . 6685 1 852 . 1 1 115 115 PRO CA C 13 62.671 0.5 . 1 . . . . 115 PRO CA . 6685 1 853 . 1 1 115 115 PRO CB C 13 33.313 0.5 . 1 . . . . 115 PRO CB . 6685 1 854 . 1 1 116 116 ASP H H 1 8.370 0.05 . 1 . . . . 116 ASP HN . 6685 1 855 . 1 1 116 116 ASP HA H 1 4.576 0.05 . 1 . . . . 116 ASP HA . 6685 1 856 . 1 1 116 116 ASP HB2 H 1 2.924 0.05 . 2 . . . . 116 ASP HB1 . 6685 1 857 . 1 1 116 116 ASP HB3 H 1 2.398 0.05 . 2 . . . . 116 ASP HB2 . 6685 1 858 . 1 1 116 116 ASP C C 13 174.801 0.5 . 1 . . . . 116 ASP C . 6685 1 859 . 1 1 116 116 ASP CA C 13 53.216 0.5 . 1 . . . . 116 ASP CA . 6685 1 860 . 1 1 116 116 ASP CB C 13 42.145 0.5 . 1 . . . . 116 ASP CB . 6685 1 861 . 1 1 116 116 ASP N N 15 118.609 0.1 . 1 . . . . 116 ASP N . 6685 1 862 . 1 1 117 117 ALA H H 1 7.456 0.05 . 1 . . . . 117 ALA HN . 6685 1 863 . 1 1 117 117 ALA HA H 1 4.676 0.05 . 1 . . . . 117 ALA HA . 6685 1 864 . 1 1 117 117 ALA HB1 H 1 0.630 0.05 . 1 . . . . 117 ALA HB . 6685 1 865 . 1 1 117 117 ALA HB2 H 1 0.630 0.05 . 1 . . . . 117 ALA HB . 6685 1 866 . 1 1 117 117 ALA HB3 H 1 0.630 0.05 . 1 . . . . 117 ALA HB . 6685 1 867 . 1 1 117 117 ALA C C 13 175.458 0.5 . 1 . . . . 117 ALA C . 6685 1 868 . 1 1 117 117 ALA CA C 13 53.117 0.5 . 1 . . . . 117 ALA CA . 6685 1 869 . 1 1 117 117 ALA CB C 13 22.671 0.5 . 1 . . . . 117 ALA CB . 6685 1 870 . 1 1 117 117 ALA N N 15 121.797 0.1 . 1 . . . . 117 ALA N . 6685 1 871 . 1 1 118 118 CYS H H 1 8.177 0.05 . 1 . . . . 118 CYS HN . 6685 1 872 . 1 1 118 118 CYS C C 13 172.213 0.5 . 1 . . . . 118 CYS C . 6685 1 873 . 1 1 118 118 CYS CA C 13 57.630 0.5 . 1 . . . . 118 CYS CA . 6685 1 874 . 1 1 118 118 CYS CB C 13 29.161 0.5 . 1 . . . . 118 CYS CB . 6685 1 875 . 1 1 118 118 CYS N N 15 123.392 0.1 . 1 . . . . 118 CYS N . 6685 1 876 . 1 1 119 119 LEU H H 1 8.471 0.05 . 1 . . . . 119 LEU HN . 6685 1 877 . 1 1 119 119 LEU CA C 13 54.612 0.5 . 1 . . . . 119 LEU CA . 6685 1 878 . 1 1 119 119 LEU CB C 13 34.557 0.5 . 1 . . . . 119 LEU CB . 6685 1 879 . 1 1 119 119 LEU N N 15 115.340 0.1 . 1 . . . . 119 LEU N . 6685 1 880 . 1 1 121 121 ASN H H 1 10.784 0.05 . 1 . . . . 121 ASN HN . 6685 1 881 . 1 1 121 121 ASN HA H 1 6.988 0.05 . 1 . . . . 121 ASN HA . 6685 1 882 . 1 1 121 121 ASN HB2 H 1 5.576 0.05 . 2 . . . . 121 ASN HB1 . 6685 1 883 . 1 1 121 121 ASN HB3 H 1 5.137 0.05 . 2 . . . . 121 ASN HB2 . 6685 1 884 . 1 1 121 121 ASN CA C 13 54.610 0.5 . 1 . . . . 121 ASN CA . 6685 1 885 . 1 1 121 121 ASN CB C 13 47.885 0.5 . 1 . . . . 121 ASN CB . 6685 1 886 . 1 1 121 121 ASN N N 15 125.703 0.1 . 1 . . . . 121 ASN N . 6685 1 887 . 1 1 122 122 ARG H H 1 10.922 0.05 . 1 . . . . 122 ARG HN . 6685 1 888 . 1 1 122 122 ARG HA H 1 5.841 0.05 . 1 . . . . 122 ARG HA . 6685 1 889 . 1 1 122 122 ARG HB2 H 1 2.006 0.05 . 2 . . . . 122 ARG HB1 . 6685 1 890 . 1 1 122 122 ARG HB3 H 1 1.400 0.05 . 2 . . . . 122 ARG HB2 . 6685 1 891 . 1 1 122 122 ARG HG2 H 1 3.129 0.05 . 2 . . . . 122 ARG HG1 . 6685 1 892 . 1 1 122 122 ARG HG3 H 1 3.009 0.05 . 2 . . . . 122 ARG HG2 . 6685 1 893 . 1 1 122 122 ARG HD2 H 1 2.891 0.05 . 2 . . . . 122 ARG HD1 . 6685 1 894 . 1 1 122 122 ARG HD3 H 1 2.671 0.05 . 2 . . . . 122 ARG HD2 . 6685 1 895 . 1 1 122 122 ARG C C 13 175.671 0.5 . 1 . . . . 122 ARG C . 6685 1 896 . 1 1 122 122 ARG CA C 13 56.697 0.5 . 1 . . . . 122 ARG CA . 6685 1 897 . 1 1 122 122 ARG CB C 13 34.553 0.5 . 1 . . . . 122 ARG CB . 6685 1 898 . 1 1 122 122 ARG CD C 13 43.418 0.5 . 1 . . . . 122 ARG CD . 6685 1 899 . 1 1 122 122 ARG N N 15 124.109 0.1 . 1 . . . . 122 ARG N . 6685 1 900 . 1 1 123 123 TYR H H 1 10.564 0.05 . 1 . . . . 123 TYR HN . 6685 1 901 . 1 1 123 123 TYR HA H 1 5.372 0.05 . 1 . . . . 123 TYR HA . 6685 1 902 . 1 1 123 123 TYR HB2 H 1 4.037 0.05 . 2 . . . . 123 TYR HB1 . 6685 1 903 . 1 1 123 123 TYR HB3 H 1 3.575 0.05 . 2 . . . . 123 TYR HB2 . 6685 1 904 . 1 1 123 123 TYR C C 13 174.014 0.5 . 1 . . . . 123 TYR C . 6685 1 905 . 1 1 123 123 TYR CA C 13 58.552 0.5 . 1 . . . . 123 TYR CA . 6685 1 906 . 1 1 123 123 TYR CB C 13 42.205 0.5 . 1 . . . . 123 TYR CB . 6685 1 907 . 1 1 123 123 TYR N N 15 128.892 0.1 . 1 . . . . 123 TYR N . 6685 1 908 . 1 1 124 124 ALA H H 1 8.271 0.05 . 1 . . . . 124 ALA HN . 6685 1 909 . 1 1 124 124 ALA C C 13 175.004 0.5 . 1 . . . . 124 ALA C . 6685 1 910 . 1 1 124 124 ALA CA C 13 51.132 0.5 . 1 . . . . 124 ALA CA . 6685 1 911 . 1 1 124 124 ALA CB C 13 19.017 0.5 . 1 . . . . 124 ALA CB . 6685 1 912 . 1 1 124 124 ALA N N 15 128.095 0.1 . 1 . . . . 124 ALA N . 6685 1 913 . 1 1 125 125 PRO HA H 1 4.294 0.05 . 1 . . . . 125 PRO HA . 6685 1 914 . 1 1 125 125 PRO HB2 H 1 2.195 0.05 . 2 . . . . 125 PRO HB1 . 6685 1 915 . 1 1 125 125 PRO HB3 H 1 2.140 0.05 . 2 . . . . 125 PRO HB2 . 6685 1 916 . 1 1 125 125 PRO C C 13 177.782 0.5 . 1 . . . . 125 PRO C . 6685 1 917 . 1 1 125 125 PRO CA C 13 66.082 0.5 . 1 . . . . 125 PRO CA . 6685 1 918 . 1 1 125 125 PRO CB C 13 31.862 0.5 . 1 . . . . 125 PRO CB . 6685 1 919 . 1 1 126 126 GLY H H 1 10.102 0.05 . 1 . . . . 126 GLY HN . 6685 1 920 . 1 1 126 126 GLY HA2 H 1 4.720 0.05 . 2 . . . . 126 GLY HA1 . 6685 1 921 . 1 1 126 126 GLY HA3 H 1 3.778 0.05 . 2 . . . . 126 GLY HA2 . 6685 1 922 . 1 1 126 126 GLY C C 13 174.313 0.5 . 1 . . . . 126 GLY C . 6685 1 923 . 1 1 126 126 GLY CA C 13 46.030 0.5 . 1 . . . . 126 GLY CA . 6685 1 924 . 1 1 126 126 GLY N N 15 114.543 0.1 . 1 . . . . 126 GLY N . 6685 1 925 . 1 1 127 127 ALA H H 1 9.088 0.05 . 1 . . . . 127 ALA HN . 6685 1 926 . 1 1 127 127 ALA HA H 1 4.974 0.05 . 1 . . . . 127 ALA HA . 6685 1 927 . 1 1 127 127 ALA HB1 H 1 2.385 0.05 . 1 . . . . 127 ALA HB . 6685 1 928 . 1 1 127 127 ALA HB2 H 1 2.385 0.05 . 1 . . . . 127 ALA HB . 6685 1 929 . 1 1 127 127 ALA HB3 H 1 2.385 0.05 . 1 . . . . 127 ALA HB . 6685 1 930 . 1 1 127 127 ALA C C 13 175.856 0.5 . 1 . . . . 127 ALA C . 6685 1 931 . 1 1 127 127 ALA CA C 13 54.030 0.5 . 1 . . . . 127 ALA CA . 6685 1 932 . 1 1 127 127 ALA CB C 13 21.568 0.5 . 1 . . . . 127 ALA CB . 6685 1 933 . 1 1 127 127 ALA N N 15 124.906 0.1 . 1 . . . . 127 ALA N . 6685 1 934 . 1 1 128 128 LYS H H 1 8.877 0.05 . 1 . . . . 128 LYS HN . 6685 1 935 . 1 1 128 128 LYS HA H 1 5.643 0.05 . 1 . . . . 128 LYS HA . 6685 1 936 . 1 1 128 128 LYS HB2 H 1 2.642 0.05 . 2 . . . . 128 LYS HB1 . 6685 1 937 . 1 1 128 128 LYS HB3 H 1 1.818 0.05 . 2 . . . . 128 LYS HB2 . 6685 1 938 . 1 1 128 128 LYS HG2 H 1 1.929 0.05 . 2 . . . . 128 LYS HG1 . 6685 1 939 . 1 1 128 128 LYS HG3 H 1 1.717 0.05 . 2 . . . . 128 LYS HG2 . 6685 1 940 . 1 1 128 128 LYS HD2 H 1 1.909 0.05 . 2 . . . . 128 LYS HD1 . 6685 1 941 . 1 1 128 128 LYS HE2 H 1 3.185 0.05 . 2 . . . . 128 LYS HE1 . 6685 1 942 . 1 1 128 128 LYS C C 13 173.715 0.5 . 1 . . . . 128 LYS C . 6685 1 943 . 1 1 128 128 LYS CA C 13 55.885 0.5 . 1 . . . . 128 LYS CA . 6685 1 944 . 1 1 128 128 LYS CB C 13 37.799 0.5 . 1 . . . . 128 LYS CB . 6685 1 945 . 1 1 128 128 LYS CG C 13 23.520 0.5 . 1 . . . . 128 LYS CG . 6685 1 946 . 1 1 128 128 LYS CD C 13 30.330 0.5 . 1 . . . . 128 LYS CD . 6685 1 947 . 1 1 128 128 LYS CE C 13 42.453 0.5 . 1 . . . . 128 LYS CE . 6685 1 948 . 1 1 128 128 LYS N N 15 115.606 0.1 . 1 . . . . 128 LYS N . 6685 1 949 . 1 1 138 138 PRO HA H 1 4.596 0.05 . 1 . . . . 138 PRO HA . 6685 1 950 . 1 1 138 138 PRO HB2 H 1 2.449 0.05 . 2 . . . . 138 PRO HB1 . 6685 1 951 . 1 1 138 138 PRO HB3 H 1 1.947 0.05 . 2 . . . . 138 PRO HB2 . 6685 1 952 . 1 1 138 138 PRO HG2 H 1 1.812 0.05 . 2 . . . . 138 PRO HG1 . 6685 1 953 . 1 1 138 138 PRO HD2 H 1 3.920 0.05 . 2 . . . . 138 PRO HD1 . 6685 1 954 . 1 1 138 138 PRO HD3 H 1 3.662 0.05 . 2 . . . . 138 PRO HD2 . 6685 1 955 . 1 1 138 138 PRO C C 13 177.408 0.5 . 1 . . . . 138 PRO C . 6685 1 956 . 1 1 138 138 PRO CA C 13 65.325 0.5 . 1 . . . . 138 PRO CA . 6685 1 957 . 1 1 138 138 PRO CB C 13 32.919 0.5 . 1 . . . . 138 PRO CB . 6685 1 958 . 1 1 138 138 PRO CG C 13 27.233 0.5 . 1 . . . . 138 PRO CG . 6685 1 959 . 1 1 138 138 PRO CD C 13 51.005 0.5 . 1 . . . . 138 PRO CD . 6685 1 960 . 1 1 139 139 ASP H H 1 8.692 0.05 . 1 . . . . 139 ASP HN . 6685 1 961 . 1 1 139 139 ASP HA H 1 5.202 0.05 . 1 . . . . 139 ASP HA . 6685 1 962 . 1 1 139 139 ASP HB2 H 1 3.453 0.05 . 2 . . . . 139 ASP HB1 . 6685 1 963 . 1 1 139 139 ASP HB3 H 1 2.455 0.05 . 2 . . . . 139 ASP HB2 . 6685 1 964 . 1 1 139 139 ASP C C 13 177.168 0.5 . 1 . . . . 139 ASP C . 6685 1 965 . 1 1 139 139 ASP CA C 13 53.334 0.5 . 1 . . . . 139 ASP CA . 6685 1 966 . 1 1 139 139 ASP CB C 13 41.857 0.5 . 1 . . . . 139 ASP CB . 6685 1 967 . 1 1 139 139 ASP N N 15 117.997 0.1 . 1 . . . . 139 ASP N . 6685 1 968 . 1 1 140 140 LEU H H 1 9.101 0.05 . 1 . . . . 140 LEU HN . 6685 1 969 . 1 1 140 140 LEU HA H 1 5.159 0.05 . 1 . . . . 140 LEU HA . 6685 1 970 . 1 1 140 140 LEU HB2 H 1 2.657 0.05 . 2 . . . . 140 LEU HB1 . 6685 1 971 . 1 1 140 140 LEU HB3 H 1 2.468 0.05 . 2 . . . . 140 LEU HB2 . 6685 1 972 . 1 1 140 140 LEU HG H 1 2.268 0.05 . 1 . . . . 140 LEU HG . 6685 1 973 . 1 1 140 140 LEU HD11 H 1 1.989 0.05 . 2 . . . . 140 LEU HD1 . 6685 1 974 . 1 1 140 140 LEU HD12 H 1 1.989 0.05 . 2 . . . . 140 LEU HD1 . 6685 1 975 . 1 1 140 140 LEU HD13 H 1 1.989 0.05 . 2 . . . . 140 LEU HD1 . 6685 1 976 . 1 1 140 140 LEU HD21 H 1 2.559 0.05 . 2 . . . . 140 LEU HD2 . 6685 1 977 . 1 1 140 140 LEU HD22 H 1 2.559 0.05 . 2 . . . . 140 LEU HD2 . 6685 1 978 . 1 1 140 140 LEU HD23 H 1 2.559 0.05 . 2 . . . . 140 LEU HD2 . 6685 1 979 . 1 1 140 140 LEU C C 13 178.066 0.5 . 1 . . . . 140 LEU C . 6685 1 980 . 1 1 140 140 LEU CA C 13 56.581 0.5 . 1 . . . . 140 LEU CA . 6685 1 981 . 1 1 140 140 LEU CB C 13 41.973 0.5 . 1 . . . . 140 LEU CB . 6685 1 982 . 1 1 140 140 LEU CG C 13 24.020 0.5 . 1 . . . . 140 LEU CG . 6685 1 983 . 1 1 140 140 LEU CD1 C 13 27.457 0.5 . 1 . . . . 140 LEU CD1 . 6685 1 984 . 1 1 140 140 LEU CD2 C 13 27.457 0.5 . 1 . . . . 140 LEU CD2 . 6685 1 985 . 1 1 140 140 LEU N N 15 125.437 0.1 . 1 . . . . 140 LEU N . 6685 1 986 . 1 1 141 141 ARG H H 1 8.754 0.05 . 1 . . . . 141 ARG HN . 6685 1 987 . 1 1 141 141 ARG HA H 1 4.599 0.05 . 1 . . . . 141 ARG HA . 6685 1 988 . 1 1 141 141 ARG HB2 H 1 2.250 0.05 . 2 . . . . 141 ARG HB1 . 6685 1 989 . 1 1 141 141 ARG C C 13 177.743 0.5 . 1 . . . . 141 ARG C . 6685 1 990 . 1 1 141 141 ARG CA C 13 58.783 0.5 . 1 . . . . 141 ARG CA . 6685 1 991 . 1 1 141 141 ARG CB C 13 31.075 0.5 . 1 . . . . 141 ARG CB . 6685 1 992 . 1 1 141 141 ARG CD C 13 43.584 0.5 . 1 . . . . 141 ARG CD . 6685 1 993 . 1 1 141 141 ARG N N 15 118.794 0.1 . 1 . . . . 141 ARG N . 6685 1 994 . 1 1 142 142 ALA H H 1 7.424 0.05 . 1 . . . . 142 ALA HN . 6685 1 995 . 1 1 142 142 ALA HA H 1 4.827 0.05 . 1 . . . . 142 ALA HA . 6685 1 996 . 1 1 142 142 ALA HB1 H 1 1.822 0.05 . 1 . . . . 142 ALA HB . 6685 1 997 . 1 1 142 142 ALA HB2 H 1 1.822 0.05 . 1 . . . . 142 ALA HB . 6685 1 998 . 1 1 142 142 ALA HB3 H 1 1.822 0.05 . 1 . . . . 142 ALA HB . 6685 1 999 . 1 1 142 142 ALA C C 13 174.497 0.5 . 1 . . . . 142 ALA C . 6685 1 1000 . 1 1 142 142 ALA CA C 13 50.552 0.5 . 1 . . . . 142 ALA CA . 6685 1 1001 . 1 1 142 142 ALA CB C 13 20.525 0.5 . 1 . . . . 142 ALA CB . 6685 1 1002 . 1 1 142 142 ALA N N 15 124.640 0.1 . 1 . . . . 142 ALA N . 6685 1 1003 . 1 1 147 147 VAL H H 1 10.100 0.05 . 1 . . . . 147 VAL HN . 6685 1 1004 . 1 1 147 147 VAL HA H 1 4.331 0.05 . 1 . . . . 147 VAL HA . 6685 1 1005 . 1 1 147 147 VAL HB H 1 2.192 0.05 . 1 . . . . 147 VAL HB . 6685 1 1006 . 1 1 147 147 VAL HG11 H 1 0.771 0.05 . 2 . . . . 147 VAL HG1 . 6685 1 1007 . 1 1 147 147 VAL HG12 H 1 0.771 0.05 . 2 . . . . 147 VAL HG1 . 6685 1 1008 . 1 1 147 147 VAL HG13 H 1 0.771 0.05 . 2 . . . . 147 VAL HG1 . 6685 1 1009 . 1 1 147 147 VAL HG21 H 1 0.959 0.05 . 2 . . . . 147 VAL HG2 . 6685 1 1010 . 1 1 147 147 VAL HG22 H 1 0.959 0.05 . 2 . . . . 147 VAL HG2 . 6685 1 1011 . 1 1 147 147 VAL HG23 H 1 0.959 0.05 . 2 . . . . 147 VAL HG2 . 6685 1 1012 . 1 1 147 147 VAL C C 13 175.139 0.5 . 1 . . . . 147 VAL C . 6685 1 1013 . 1 1 147 147 VAL CA C 13 63.073 0.5 . 1 . . . . 147 VAL CA . 6685 1 1014 . 1 1 147 147 VAL CB C 13 35.480 0.5 . 1 . . . . 147 VAL CB . 6685 1 1015 . 1 1 147 147 VAL CG1 C 13 20.806 0.5 . 1 . . . . 147 VAL CG1 . 6685 1 1016 . 1 1 147 147 VAL N N 15 132.612 0.1 . 1 . . . . 147 VAL N . 6685 1 1017 . 1 1 148 148 SER H H 1 8.985 0.05 . 1 . . . . 148 SER HN . 6685 1 1018 . 1 1 148 148 SER HA H 1 5.248 0.05 . 1 . . . . 148 SER HA . 6685 1 1019 . 1 1 148 148 SER HB2 H 1 4.280 0.05 . 2 . . . . 148 SER HB1 . 6685 1 1020 . 1 1 148 148 SER HB3 H 1 3.920 0.05 . 2 . . . . 148 SER HB2 . 6685 1 1021 . 1 1 148 148 SER C C 13 173.162 0.5 . 1 . . . . 148 SER C . 6685 1 1022 . 1 1 148 148 SER CA C 13 60.986 0.5 . 1 . . . . 148 SER CA . 6685 1 1023 . 1 1 148 148 SER CB C 13 65.855 0.5 . 1 . . . . 148 SER CB . 6685 1 1024 . 1 1 148 148 SER N N 15 124.640 0.1 . 1 . . . . 148 SER N . 6685 1 1025 . 1 1 149 149 LEU H H 1 9.359 0.05 . 1 . . . . 149 LEU HN . 6685 1 1026 . 1 1 149 149 LEU HA H 1 5.045 0.05 . 1 . . . . 149 LEU HA . 6685 1 1027 . 1 1 149 149 LEU C C 13 175.763 0.5 . 1 . . . . 149 LEU C . 6685 1 1028 . 1 1 149 149 LEU CA C 13 54.494 0.5 . 1 . . . . 149 LEU CA . 6685 1 1029 . 1 1 149 149 LEU CB C 13 47.770 0.5 . 1 . . . . 149 LEU CB . 6685 1 1030 . 1 1 149 149 LEU N N 15 123.577 0.1 . 1 . . . . 149 LEU N . 6685 1 1031 . 1 1 150 150 GLY H H 1 11.925 0.05 . 1 . . . . 150 GLY HN . 6685 1 1032 . 1 1 150 150 GLY HA2 H 1 4.446 0.05 . 2 . . . . 150 GLY HA1 . 6685 1 1033 . 1 1 150 150 GLY HA3 H 1 2.423 0.05 . 2 . . . . 150 GLY HA2 . 6685 1 1034 . 1 1 150 150 GLY C C 13 172.679 0.5 . 1 . . . . 150 GLY C . 6685 1 1035 . 1 1 150 150 GLY CA C 13 46.842 0.5 . 1 . . . . 150 GLY CA . 6685 1 1036 . 1 1 150 150 GLY N N 15 115.871 0.1 . 1 . . . . 150 GLY N . 6685 1 1037 . 1 1 151 151 LEU H H 1 7.041 0.05 . 1 . . . . 151 LEU HN . 6685 1 1038 . 1 1 151 151 LEU C C 13 173.922 0.5 . 1 . . . . 151 LEU C . 6685 1 1039 . 1 1 151 151 LEU CA C 13 54.610 0.5 . 1 . . . . 151 LEU CA . 6685 1 1040 . 1 1 151 151 LEU CB C 13 41.973 0.5 . 1 . . . . 151 LEU CB . 6685 1 1041 . 1 1 151 151 LEU N N 15 123.046 0.1 . 1 . . . . 151 LEU N . 6685 1 1042 . 1 1 152 152 PRO HA H 1 4.949 0.05 . 1 . . . . 152 PRO HA . 6685 1 1043 . 1 1 152 152 PRO HB2 H 1 2.376 0.05 . 2 . . . . 152 PRO HB1 . 6685 1 1044 . 1 1 152 152 PRO HB3 H 1 1.890 0.05 . 2 . . . . 152 PRO HB2 . 6685 1 1045 . 1 1 152 152 PRO HG2 H 1 2.286 0.05 . 2 . . . . 152 PRO HG1 . 6685 1 1046 . 1 1 152 152 PRO HG3 H 1 2.083 0.05 . 2 . . . . 152 PRO HG2 . 6685 1 1047 . 1 1 152 152 PRO HD2 H 1 3.849 0.05 . 2 . . . . 152 PRO HD1 . 6685 1 1048 . 1 1 152 152 PRO C C 13 176.287 0.5 . 1 . . . . 152 PRO C . 6685 1 1049 . 1 1 152 152 PRO CA C 13 63.053 0.5 . 1 . . . . 152 PRO CA . 6685 1 1050 . 1 1 152 152 PRO CB C 13 32.624 0.5 . 1 . . . . 152 PRO CB . 6685 1 1051 . 1 1 152 152 PRO CG C 13 27.454 0.5 . 1 . . . . 152 PRO CG . 6685 1 1052 . 1 1 152 152 PRO CD C 13 50.533 0.5 . 1 . . . . 152 PRO CD . 6685 1 1053 . 1 1 153 153 ALA H H 1 8.365 0.05 . 1 . . . . 153 ALA HN . 6685 1 1054 . 1 1 153 153 ALA HA H 1 4.921 0.05 . 1 . . . . 153 ALA HA . 6685 1 1055 . 1 1 153 153 ALA HB1 H 1 1.413 0.05 . 1 . . . . 153 ALA HB . 6685 1 1056 . 1 1 153 153 ALA HB2 H 1 1.413 0.05 . 1 . . . . 153 ALA HB . 6685 1 1057 . 1 1 153 153 ALA HB3 H 1 1.413 0.05 . 1 . . . . 153 ALA HB . 6685 1 1058 . 1 1 153 153 ALA C C 13 174.843 0.5 . 1 . . . . 153 ALA C . 6685 1 1059 . 1 1 153 153 ALA CA C 13 50.900 0.5 . 1 . . . . 153 ALA CA . 6685 1 1060 . 1 1 153 153 ALA CB C 13 24.350 0.5 . 1 . . . . 153 ALA CB . 6685 1 1061 . 1 1 153 153 ALA N N 15 119.591 0.1 . 1 . . . . 153 ALA N . 6685 1 1062 . 1 1 154 154 ILE H H 1 9.377 0.05 . 1 . . . . 154 ILE HN . 6685 1 1063 . 1 1 154 154 ILE HA H 1 4.448 0.05 . 1 . . . . 154 ILE HA . 6685 1 1064 . 1 1 154 154 ILE HB H 1 1.739 0.05 . 1 . . . . 154 ILE HB . 6685 1 1065 . 1 1 154 154 ILE HG21 H 1 0.618 0.05 . 1 . . . . 154 ILE HG2 . 6685 1 1066 . 1 1 154 154 ILE HG22 H 1 0.618 0.05 . 1 . . . . 154 ILE HG2 . 6685 1 1067 . 1 1 154 154 ILE HG23 H 1 0.618 0.05 . 1 . . . . 154 ILE HG2 . 6685 1 1068 . 1 1 154 154 ILE HD11 H 1 0.394 0.05 . 1 . . . . 154 ILE HD1 . 6685 1 1069 . 1 1 154 154 ILE HD12 H 1 0.394 0.05 . 1 . . . . 154 ILE HD1 . 6685 1 1070 . 1 1 154 154 ILE HD13 H 1 0.394 0.05 . 1 . . . . 154 ILE HD1 . 6685 1 1071 . 1 1 154 154 ILE C C 13 173.553 0.5 . 1 . . . . 154 ILE C . 6685 1 1072 . 1 1 154 154 ILE CA C 13 60.175 0.5 . 1 . . . . 154 ILE CA . 6685 1 1073 . 1 1 154 154 ILE CB C 13 36.987 0.5 . 1 . . . . 154 ILE CB . 6685 1 1074 . 1 1 154 154 ILE CG2 C 13 11.620 0.5 . 1 . . . . 154 ILE CG2 . 6685 1 1075 . 1 1 154 154 ILE CD1 C 13 17.960 0.5 . 1 . . . . 154 ILE CD1 . 6685 1 1076 . 1 1 154 154 ILE N N 15 120.920 0.1 . 1 . . . . 154 ILE N . 6685 1 1077 . 1 1 155 155 PHE H H 1 8.924 0.05 . 1 . . . . 155 PHE HN . 6685 1 1078 . 1 1 155 155 PHE C C 13 173.277 0.5 . 1 . . . . 155 PHE C . 6685 1 1079 . 1 1 155 155 PHE CA C 13 53.914 0.5 . 1 . . . . 155 PHE CA . 6685 1 1080 . 1 1 155 155 PHE CB C 13 42.321 0.5 . 1 . . . . 155 PHE CB . 6685 1 1081 . 1 1 155 155 PHE N N 15 129.955 0.1 . 1 . . . . 155 PHE N . 6685 1 1082 . 1 1 156 156 GLN H H 1 7.035 0.05 . 1 . . . . 156 GLN HN . 6685 1 1083 . 1 1 156 156 GLN CA C 13 54.294 0.5 . 1 . . . . 156 GLN CA . 6685 1 1084 . 1 1 156 156 GLN CB C 13 30.609 0.5 . 1 . . . . 156 GLN CB . 6685 1 1085 . 1 1 156 156 GLN N N 15 123.392 0.1 . 1 . . . . 156 GLN N . 6685 1 1086 . 1 1 158 158 GLY H H 1 7.597 0.05 . 1 . . . . 158 GLY HN . 6685 1 1087 . 1 1 158 158 GLY HA2 H 1 4.127 0.05 . 2 . . . . 158 GLY HA1 . 6685 1 1088 . 1 1 158 158 GLY HA3 H 1 2.773 0.05 . 2 . . . . 158 GLY HA2 . 6685 1 1089 . 1 1 158 158 GLY C C 13 171.504 0.5 . 1 . . . . 158 GLY C . 6685 1 1090 . 1 1 158 158 GLY CA C 13 45.219 0.5 . 1 . . . . 158 GLY CA . 6685 1 1091 . 1 1 158 158 GLY N N 15 119.060 0.1 . 1 . . . . 158 GLY N . 6685 1 1092 . 1 1 159 159 GLY H H 1 8.074 0.05 . 1 . . . . 159 GLY HN . 6685 1 1093 . 1 1 159 159 GLY CA C 13 44.060 0.5 . 1 . . . . 159 GLY CA . 6685 1 1094 . 1 1 159 159 GLY N N 15 111.886 0.1 . 1 . . . . 159 GLY N . 6685 1 1095 . 1 1 162 162 ARG C C 13 175.543 0.5 . 1 . . . . 162 ARG C . 6685 1 1096 . 1 1 162 162 ARG CA C 13 59.129 0.5 . 1 . . . . 162 ARG CA . 6685 1 1097 . 1 1 162 162 ARG CB C 13 29.936 0.5 . 1 . . . . 162 ARG CB . 6685 1 1098 . 1 1 163 163 ASN H H 1 7.616 0.05 . 1 . . . . 163 ASN HN . 6685 1 1099 . 1 1 163 163 ASN HA H 1 4.427 0.05 . 1 . . . . 163 ASN HA . 6685 1 1100 . 1 1 163 163 ASN HB2 H 1 2.730 0.05 . 2 . . . . 163 ASN HB1 . 6685 1 1101 . 1 1 163 163 ASN HB3 H 1 2.630 0.05 . 2 . . . . 163 ASN HB2 . 6685 1 1102 . 1 1 163 163 ASN CA C 13 52.827 0.5 . 1 . . . . 163 ASN CA . 6685 1 1103 . 1 1 163 163 ASN CB C 13 38.159 0.5 . 1 . . . . 163 ASN CB . 6685 1 1104 . 1 1 163 163 ASN N N 15 110.371 0.1 . 1 . . . . 163 ASN N . 6685 1 1105 . 1 1 164 164 ASP H H 1 6.989 0.05 . 1 . . . . 164 ASP HN . 6685 1 1106 . 1 1 164 164 ASP CA C 13 55.109 0.5 . 1 . . . . 164 ASP CA . 6685 1 1107 . 1 1 164 164 ASP CB C 13 39.680 0.5 . 1 . . . . 164 ASP CB . 6685 1 1108 . 1 1 164 164 ASP N N 15 122.063 0.1 . 1 . . . . 164 ASP N . 6685 1 1109 . 1 1 165 165 PRO HA H 1 3.974 0.05 . 1 . . . . 165 PRO HA . 6685 1 1110 . 1 1 165 165 PRO HB2 H 1 2.082 0.05 . 2 . . . . 165 PRO HB1 . 6685 1 1111 . 1 1 165 165 PRO HB3 H 1 1.579 0.05 . 2 . . . . 165 PRO HB2 . 6685 1 1112 . 1 1 165 165 PRO HG2 H 1 1.886 0.05 . 2 . . . . 165 PRO HG1 . 6685 1 1113 . 1 1 165 165 PRO HD2 H 1 3.353 0.05 . 2 . . . . 165 PRO HD1 . 6685 1 1114 . 1 1 165 165 PRO C C 13 175.470 0.5 . 1 . . . . 165 PRO C . 6685 1 1115 . 1 1 165 165 PRO CA C 13 63.801 0.5 . 1 . . . . 165 PRO CA . 6685 1 1116 . 1 1 165 165 PRO CB C 13 32.400 0.5 . 1 . . . . 165 PRO CB . 6685 1 1117 . 1 1 165 165 PRO CG C 13 27.454 0.5 . 1 . . . . 165 PRO CG . 6685 1 1118 . 1 1 165 165 PRO CD C 13 50.028 0.5 . 1 . . . . 165 PRO CD . 6685 1 1119 . 1 1 166 166 LEU H H 1 7.842 0.05 . 1 . . . . 166 LEU HN . 6685 1 1120 . 1 1 166 166 LEU HA H 1 3.924 0.05 . 1 . . . . 166 LEU HA . 6685 1 1121 . 1 1 166 166 LEU HB2 H 1 1.089 0.05 . 2 . . . . 166 LEU HB1 . 6685 1 1122 . 1 1 166 166 LEU HB3 H 1 0.331 0.05 . 2 . . . . 166 LEU HB2 . 6685 1 1123 . 1 1 166 166 LEU HG H 1 1.135 0.05 . 1 . . . . 166 LEU HG . 6685 1 1124 . 1 1 166 166 LEU HD11 H 1 0.151 0.05 . 2 . . . . 166 LEU HD1 . 6685 1 1125 . 1 1 166 166 LEU HD12 H 1 0.151 0.05 . 2 . . . . 166 LEU HD1 . 6685 1 1126 . 1 1 166 166 LEU HD13 H 1 0.151 0.05 . 2 . . . . 166 LEU HD1 . 6685 1 1127 . 1 1 166 166 LEU HD21 H 1 -0.170 0.05 . 2 . . . . 166 LEU HD2 . 6685 1 1128 . 1 1 166 166 LEU HD22 H 1 -0.170 0.05 . 2 . . . . 166 LEU HD2 . 6685 1 1129 . 1 1 166 166 LEU HD23 H 1 -0.170 0.05 . 2 . . . . 166 LEU HD2 . 6685 1 1130 . 1 1 166 166 LEU C C 13 177.283 0.5 . 1 . . . . 166 LEU C . 6685 1 1131 . 1 1 166 166 LEU CA C 13 54.030 0.5 . 1 . . . . 166 LEU CA . 6685 1 1132 . 1 1 166 166 LEU CB C 13 43.463 0.5 . 1 . . . . 166 LEU CB . 6685 1 1133 . 1 1 166 166 LEU CG C 13 25.960 0.5 . 1 . . . . 166 LEU CG . 6685 1 1134 . 1 1 166 166 LEU CD1 C 13 25.879 0.5 . 1 . . . . 166 LEU CD1 . 6685 1 1135 . 1 1 166 166 LEU CD2 C 13 24.042 0.5 . 1 . . . . 166 LEU CD2 . 6685 1 1136 . 1 1 166 166 LEU N N 15 119.326 0.1 . 1 . . . . 166 LEU N . 6685 1 1137 . 1 1 167 167 LYS H H 1 7.943 0.05 . 1 . . . . 167 LYS HN . 6685 1 1138 . 1 1 167 167 LYS HA H 1 4.075 0.05 . 1 . . . . 167 LYS HA . 6685 1 1139 . 1 1 167 167 LYS HB2 H 1 1.317 0.05 . 2 . . . . 167 LYS HB1 . 6685 1 1140 . 1 1 167 167 LYS HG2 H 1 1.409 0.05 . 2 . . . . 167 LYS HG1 . 6685 1 1141 . 1 1 167 167 LYS HG3 H 1 1.351 0.05 . 2 . . . . 167 LYS HG2 . 6685 1 1142 . 1 1 167 167 LYS HD2 H 1 1.206 0.05 . 2 . . . . 167 LYS HD1 . 6685 1 1143 . 1 1 167 167 LYS HD3 H 1 1.085 0.05 . 2 . . . . 167 LYS HD2 . 6685 1 1144 . 1 1 167 167 LYS HE2 H 1 2.832 0.05 . 2 . . . . 167 LYS HE1 . 6685 1 1145 . 1 1 167 167 LYS HE3 H 1 2.330 0.05 . 2 . . . . 167 LYS HE2 . 6685 1 1146 . 1 1 167 167 LYS C C 13 174.866 0.5 . 1 . . . . 167 LYS C . 6685 1 1147 . 1 1 167 167 LYS CA C 13 55.769 0.5 . 1 . . . . 167 LYS CA . 6685 1 1148 . 1 1 167 167 LYS CB C 13 34.553 0.5 . 1 . . . . 167 LYS CB . 6685 1 1149 . 1 1 167 167 LYS CG C 13 29.618 0.5 . 1 . . . . 167 LYS CG . 6685 1 1150 . 1 1 167 167 LYS CD C 13 32.279 0.5 . 1 . . . . 167 LYS CD . 6685 1 1151 . 1 1 167 167 LYS CE C 13 41.589 0.5 . 1 . . . . 167 LYS CE . 6685 1 1152 . 1 1 167 167 LYS N N 15 123.577 0.1 . 1 . . . . 167 LYS N . 6685 1 1153 . 1 1 168 168 ARG H H 1 8.016 0.05 . 1 . . . . 168 ARG HN . 6685 1 1154 . 1 1 168 168 ARG HA H 1 4.192 0.05 . 1 . . . . 168 ARG HA . 6685 1 1155 . 1 1 168 168 ARG HB2 H 1 1.342 0.05 . 2 . . . . 168 ARG HB1 . 6685 1 1156 . 1 1 168 168 ARG HB3 H 1 1.160 0.05 . 2 . . . . 168 ARG HB2 . 6685 1 1157 . 1 1 168 168 ARG C C 13 174.520 0.5 . 1 . . . . 168 ARG C . 6685 1 1158 . 1 1 168 168 ARG CA C 13 55.769 0.5 . 1 . . . . 168 ARG CA . 6685 1 1159 . 1 1 168 168 ARG CB C 13 31.770 0.5 . 1 . . . . 168 ARG CB . 6685 1 1160 . 1 1 168 168 ARG N N 15 121.983 0.1 . 1 . . . . 168 ARG N . 6685 1 1161 . 1 1 169 169 LEU H H 1 8.679 0.05 . 1 . . . . 169 LEU HN . 6685 1 1162 . 1 1 169 169 LEU HA H 1 4.316 0.05 . 1 . . . . 169 LEU HA . 6685 1 1163 . 1 1 169 169 LEU HB2 H 1 1.255 0.05 . 2 . . . . 169 LEU HB1 . 6685 1 1164 . 1 1 169 169 LEU HB3 H 1 0.897 0.05 . 2 . . . . 169 LEU HB2 . 6685 1 1165 . 1 1 169 169 LEU HG H 1 1.034 0.05 . 1 . . . . 169 LEU HG . 6685 1 1166 . 1 1 169 169 LEU HD11 H 1 0.201 0.05 . 2 . . . . 169 LEU HD1 . 6685 1 1167 . 1 1 169 169 LEU HD12 H 1 0.201 0.05 . 2 . . . . 169 LEU HD1 . 6685 1 1168 . 1 1 169 169 LEU HD13 H 1 0.201 0.05 . 2 . . . . 169 LEU HD1 . 6685 1 1169 . 1 1 169 169 LEU HD21 H 1 0.246 0.05 . 2 . . . . 169 LEU HD2 . 6685 1 1170 . 1 1 169 169 LEU HD22 H 1 0.246 0.05 . 2 . . . . 169 LEU HD2 . 6685 1 1171 . 1 1 169 169 LEU HD23 H 1 0.246 0.05 . 2 . . . . 169 LEU HD2 . 6685 1 1172 . 1 1 169 169 LEU C C 13 173.991 0.5 . 1 . . . . 169 LEU C . 6685 1 1173 . 1 1 169 169 LEU CA C 13 53.334 0.5 . 1 . . . . 169 LEU CA . 6685 1 1174 . 1 1 169 169 LEU CB C 13 43.944 0.5 . 1 . . . . 169 LEU CB . 6685 1 1175 . 1 1 169 169 LEU CG C 13 27.290 0.5 . 1 . . . . 169 LEU CG . 6685 1 1176 . 1 1 169 169 LEU CD1 C 13 24.963 0.5 . 1 . . . . 169 LEU CD1 . 6685 1 1177 . 1 1 169 169 LEU CD2 C 13 24.963 0.5 . 1 . . . . 169 LEU CD2 . 6685 1 1178 . 1 1 169 169 LEU N N 15 125.969 0.1 . 1 . . . . 169 LEU N . 6685 1 1179 . 1 1 170 170 LEU H H 1 8.496 0.05 . 1 . . . . 170 LEU HN . 6685 1 1180 . 1 1 170 170 LEU HA H 1 4.639 0.05 . 1 . . . . 170 LEU HA . 6685 1 1181 . 1 1 170 170 LEU HB2 H 1 1.803 0.05 . 2 . . . . 170 LEU HB1 . 6685 1 1182 . 1 1 170 170 LEU HB3 H 1 1.174 0.05 . 2 . . . . 170 LEU HB2 . 6685 1 1183 . 1 1 170 170 LEU C C 13 176.755 0.5 . 1 . . . . 170 LEU C . 6685 1 1184 . 1 1 170 170 LEU CA C 13 54.726 0.5 . 1 . . . . 170 LEU CA . 6685 1 1185 . 1 1 170 170 LEU CB C 13 42.900 0.5 . 1 . . . . 170 LEU CB . 6685 1 1186 . 1 1 170 170 LEU N N 15 124.906 0.1 . 1 . . . . 170 LEU N . 6685 1 1187 . 1 1 171 171 LEU H H 1 9.278 0.05 . 1 . . . . 171 LEU HN . 6685 1 1188 . 1 1 171 171 LEU HA H 1 4.433 0.05 . 1 . . . . 171 LEU HA . 6685 1 1189 . 1 1 171 171 LEU HB2 H 1 1.680 0.05 . 2 . . . . 171 LEU HB1 . 6685 1 1190 . 1 1 171 171 LEU HB3 H 1 1.202 0.05 . 2 . . . . 171 LEU HB2 . 6685 1 1191 . 1 1 171 171 LEU HD11 H 1 -0.014 0.05 . 2 . . . . 171 LEU HD1 . 6685 1 1192 . 1 1 171 171 LEU HD12 H 1 -0.014 0.05 . 2 . . . . 171 LEU HD1 . 6685 1 1193 . 1 1 171 171 LEU HD13 H 1 -0.014 0.05 . 2 . . . . 171 LEU HD1 . 6685 1 1194 . 1 1 171 171 LEU HD21 H 1 -0.267 0.05 . 2 . . . . 171 LEU HD2 . 6685 1 1195 . 1 1 171 171 LEU HD22 H 1 -0.267 0.05 . 2 . . . . 171 LEU HD2 . 6685 1 1196 . 1 1 171 171 LEU HD23 H 1 -0.267 0.05 . 2 . . . . 171 LEU HD2 . 6685 1 1197 . 1 1 171 171 LEU C C 13 176.132 0.5 . 1 . . . . 171 LEU C . 6685 1 1198 . 1 1 171 171 LEU CA C 13 54.378 0.5 . 1 . . . . 171 LEU CA . 6685 1 1199 . 1 1 171 171 LEU CB C 13 43.016 0.5 . 1 . . . . 171 LEU CB . 6685 1 1200 . 1 1 171 171 LEU CD1 C 13 22.000 0.5 . 1 . . . . 171 LEU CD1 . 6685 1 1201 . 1 1 171 171 LEU CD2 C 13 26.040 0.5 . 1 . . . . 171 LEU CD2 . 6685 1 1202 . 1 1 171 171 LEU N N 15 129.158 0.1 . 1 . . . . 171 LEU N . 6685 1 1203 . 1 1 172 172 GLU H H 1 9.128 0.05 . 1 . . . . 172 GLU HN . 6685 1 1204 . 1 1 172 172 GLU HA H 1 4.681 0.05 . 1 . . . . 172 GLU HA . 6685 1 1205 . 1 1 172 172 GLU HB2 H 1 2.194 0.05 . 2 . . . . 172 GLU HB1 . 6685 1 1206 . 1 1 172 172 GLU HB3 H 1 1.859 0.05 . 2 . . . . 172 GLU HB2 . 6685 1 1207 . 1 1 172 172 GLU C C 13 174.728 0.5 . 1 . . . . 172 GLU C . 6685 1 1208 . 1 1 172 172 GLU CA C 13 54.726 0.5 . 1 . . . . 172 GLU CA . 6685 1 1209 . 1 1 172 172 GLU CB C 13 34.089 0.5 . 1 . . . . 172 GLU CB . 6685 1 1210 . 1 1 172 172 GLU CG C 13 38.430 0.5 . 1 . . . . 172 GLU CG . 6685 1 1211 . 1 1 172 172 GLU N N 15 124.640 0.1 . 1 . . . . 172 GLU N . 6685 1 1212 . 1 1 173 173 HIS H H 1 9.151 0.05 . 1 . . . . 173 HIS HN . 6685 1 1213 . 1 1 173 173 HIS HA H 1 3.969 0.05 . 1 . . . . 173 HIS HA . 6685 1 1214 . 1 1 173 173 HIS HB2 H 1 3.848 0.05 . 2 . . . . 173 HIS HB1 . 6685 1 1215 . 1 1 173 173 HIS HB3 H 1 3.293 0.05 . 2 . . . . 173 HIS HB2 . 6685 1 1216 . 1 1 173 173 HIS C C 13 175.763 0.5 . 1 . . . . 173 HIS C . 6685 1 1217 . 1 1 173 173 HIS CA C 13 60.291 0.5 . 1 . . . . 173 HIS CA . 6685 1 1218 . 1 1 173 173 HIS CB C 13 31.770 0.5 . 1 . . . . 173 HIS CB . 6685 1 1219 . 1 1 173 173 HIS N N 15 118.794 0.1 . 1 . . . . 173 HIS N . 6685 1 1220 . 1 1 174 174 GLY H H 1 8.827 0.05 . 1 . . . . 174 GLY HN . 6685 1 1221 . 1 1 174 174 GLY HA2 H 1 4.039 0.05 . 2 . . . . 174 GLY HA1 . 6685 1 1222 . 1 1 174 174 GLY HA3 H 1 2.753 0.05 . 2 . . . . 174 GLY HA2 . 6685 1 1223 . 1 1 174 174 GLY C C 13 172.932 0.5 . 1 . . . . 174 GLY C . 6685 1 1224 . 1 1 174 174 GLY CA C 13 44.755 0.5 . 1 . . . . 174 GLY CA . 6685 1 1225 . 1 1 174 174 GLY N N 15 113.480 0.1 . 1 . . . . 174 GLY N . 6685 1 1226 . 1 1 175 175 ASP H H 1 8.822 0.05 . 1 . . . . 175 ASP HN . 6685 1 1227 . 1 1 175 175 ASP HA H 1 4.689 0.05 . 1 . . . . 175 ASP HA . 6685 1 1228 . 1 1 175 175 ASP HB2 H 1 2.826 0.05 . 2 . . . . 175 ASP HB1 . 6685 1 1229 . 1 1 175 175 ASP HB3 H 1 1.887 0.05 . 2 . . . . 175 ASP HB2 . 6685 1 1230 . 1 1 175 175 ASP C C 13 175.062 0.5 . 1 . . . . 175 ASP C . 6685 1 1231 . 1 1 175 175 ASP CA C 13 56.697 0.5 . 1 . . . . 175 ASP CA . 6685 1 1232 . 1 1 175 175 ASP CB C 13 42.321 0.5 . 1 . . . . 175 ASP CB . 6685 1 1233 . 1 1 175 175 ASP N N 15 123.577 0.1 . 1 . . . . 175 ASP N . 6685 1 1234 . 1 1 176 176 VAL H H 1 7.782 0.05 . 1 . . . . 176 VAL HN . 6685 1 1235 . 1 1 176 176 VAL C C 13 172.840 0.5 . 1 . . . . 176 VAL C . 6685 1 1236 . 1 1 176 176 VAL CA C 13 60.522 0.5 . 1 . . . . 176 VAL CA . 6685 1 1237 . 1 1 176 176 VAL CB C 13 35.132 0.5 . 1 . . . . 176 VAL CB . 6685 1 1238 . 1 1 176 176 VAL CG1 C 13 24.131 0.5 . 1 . . . . 176 VAL CG1 . 6685 1 1239 . 1 1 176 176 VAL CG2 C 13 21.970 0.5 . 1 . . . . 176 VAL CG2 . 6685 1 1240 . 1 1 176 176 VAL N N 15 119.591 0.1 . 1 . . . . 176 VAL N . 6685 1 1241 . 1 1 177 177 VAL H H 1 8.577 0.05 . 1 . . . . 177 VAL HN . 6685 1 1242 . 1 1 177 177 VAL HA H 1 3.920 0.05 . 1 . . . . 177 VAL HA . 6685 1 1243 . 1 1 177 177 VAL HB H 1 0.123 0.05 . 1 . . . . 177 VAL HB . 6685 1 1244 . 1 1 177 177 VAL HG11 H 1 -0.439 0.05 . 2 . . . . 177 VAL HG1 . 6685 1 1245 . 1 1 177 177 VAL HG12 H 1 -0.439 0.05 . 2 . . . . 177 VAL HG1 . 6685 1 1246 . 1 1 177 177 VAL HG13 H 1 -0.439 0.05 . 2 . . . . 177 VAL HG1 . 6685 1 1247 . 1 1 177 177 VAL HG21 H 1 -0.735 0.05 . 2 . . . . 177 VAL HG2 . 6685 1 1248 . 1 1 177 177 VAL HG22 H 1 -0.735 0.05 . 2 . . . . 177 VAL HG2 . 6685 1 1249 . 1 1 177 177 VAL HG23 H 1 -0.735 0.05 . 2 . . . . 177 VAL HG2 . 6685 1 1250 . 1 1 177 177 VAL C C 13 172.909 0.5 . 1 . . . . 177 VAL C . 6685 1 1251 . 1 1 177 177 VAL CA C 13 60.291 0.5 . 1 . . . . 177 VAL CA . 6685 1 1252 . 1 1 177 177 VAL CB C 13 33.509 0.5 . 1 . . . . 177 VAL CB . 6685 1 1253 . 1 1 177 177 VAL CG1 C 13 21.596 0.5 . 1 . . . . 177 VAL CG1 . 6685 1 1254 . 1 1 177 177 VAL CG2 C 13 21.280 0.5 . 1 . . . . 177 VAL CG2 . 6685 1 1255 . 1 1 177 177 VAL N N 15 126.766 0.1 . 1 . . . . 177 VAL N . 6685 1 1256 . 1 1 178 178 VAL H H 1 8.029 0.05 . 1 . . . . 178 VAL HN . 6685 1 1257 . 1 1 178 178 VAL C C 13 174.451 0.5 . 1 . . . . 178 VAL C . 6685 1 1258 . 1 1 178 178 VAL CA C 13 60.291 0.5 . 1 . . . . 178 VAL CA . 6685 1 1259 . 1 1 178 178 VAL CB C 13 35.248 0.5 . 1 . . . . 178 VAL CB . 6685 1 1260 . 1 1 178 178 VAL CG1 C 13 20.972 0.5 . 1 . . . . 178 VAL CG1 . 6685 1 1261 . 1 1 178 178 VAL N N 15 126.500 0.1 . 1 . . . . 178 VAL N . 6685 1 1262 . 1 1 179 179 TRP H H 1 7.763 0.05 . 1 . . . . 179 TRP HN . 6685 1 1263 . 1 1 179 179 TRP HA H 1 5.145 0.05 . 1 . . . . 179 TRP HA . 6685 1 1264 . 1 1 179 179 TRP HB2 H 1 2.382 0.05 . 2 . . . . 179 TRP HB1 . 6685 1 1265 . 1 1 179 179 TRP HB3 H 1 2.324 0.05 . 2 . . . . 179 TRP HB2 . 6685 1 1266 . 1 1 179 179 TRP C C 13 172.748 0.5 . 1 . . . . 179 TRP C . 6685 1 1267 . 1 1 179 179 TRP CA C 13 57.624 0.5 . 1 . . . . 179 TRP CA . 6685 1 1268 . 1 1 179 179 TRP CB C 13 32.930 0.5 . 1 . . . . 179 TRP CB . 6685 1 1269 . 1 1 179 179 TRP N N 15 122.514 0.1 . 1 . . . . 179 TRP N . 6685 1 1270 . 1 1 180 180 GLY H H 1 7.334 0.05 . 1 . . . . 180 GLY HN . 6685 1 1271 . 1 1 180 180 GLY HA2 H 1 4.246 0.05 . 2 . . . . 180 GLY HA1 . 6685 1 1272 . 1 1 180 180 GLY HA3 H 1 3.913 0.05 . 2 . . . . 180 GLY HA2 . 6685 1 1273 . 1 1 180 180 GLY C C 13 172.771 0.5 . 1 . . . . 180 GLY C . 6685 1 1274 . 1 1 180 180 GLY CA C 13 46.030 0.5 . 1 . . . . 180 GLY CA . 6685 1 1275 . 1 1 180 180 GLY N N 15 104.711 0.1 . 1 . . . . 180 GLY N . 6685 1 1276 . 1 1 181 181 GLY H H 1 9.677 0.05 . 1 . . . . 181 GLY HN . 6685 1 1277 . 1 1 181 181 GLY HA2 H 1 4.442 0.05 . 2 . . . . 181 GLY HA1 . 6685 1 1278 . 1 1 181 181 GLY HA3 H 1 4.141 0.05 . 2 . . . . 181 GLY HA2 . 6685 1 1279 . 1 1 181 181 GLY C C 13 178.478 0.5 . 1 . . . . 181 GLY C . 6685 1 1280 . 1 1 181 181 GLY CA C 13 47.770 0.5 . 1 . . . . 181 GLY CA . 6685 1 1281 . 1 1 181 181 GLY N N 15 108.697 0.1 . 1 . . . . 181 GLY N . 6685 1 1282 . 1 1 182 182 GLU H H 1 9.733 0.05 . 1 . . . . 182 GLU HN . 6685 1 1283 . 1 1 182 182 GLU HA H 1 4.453 0.05 . 1 . . . . 182 GLU HA . 6685 1 1284 . 1 1 182 182 GLU HB2 H 1 2.372 0.05 . 2 . . . . 182 GLU HB1 . 6685 1 1285 . 1 1 182 182 GLU HB3 H 1 2.207 0.05 . 2 . . . . 182 GLU HB2 . 6685 1 1286 . 1 1 182 182 GLU HG2 H 1 2.658 0.05 . 2 . . . . 182 GLU HG1 . 6685 1 1287 . 1 1 182 182 GLU HG3 H 1 2.571 0.05 . 2 . . . . 182 GLU HG2 . 6685 1 1288 . 1 1 182 182 GLU C C 13 178.084 0.5 . 1 . . . . 182 GLU C . 6685 1 1289 . 1 1 182 182 GLU CA C 13 60.555 0.5 . 1 . . . . 182 GLU CA . 6685 1 1290 . 1 1 182 182 GLU CB C 13 30.686 0.5 . 1 . . . . 182 GLU CB . 6685 1 1291 . 1 1 182 182 GLU CG C 13 37.049 0.5 . 1 . . . . 182 GLU CG . 6685 1 1292 . 1 1 182 182 GLU N N 15 129.423 0.1 . 1 . . . . 182 GLU N . 6685 1 1293 . 1 1 183 183 SER H H 1 8.147 0.05 . 1 . . . . 183 SER HN . 6685 1 1294 . 1 1 183 183 SER HA H 1 3.699 0.05 . 1 . . . . 183 SER HA . 6685 1 1295 . 1 1 183 183 SER HB2 H 1 3.386 0.05 . 2 . . . . 183 SER HB1 . 6685 1 1296 . 1 1 183 183 SER HB3 H 1 3.259 0.05 . 2 . . . . 183 SER HB2 . 6685 1 1297 . 1 1 183 183 SER C C 13 176.600 0.5 . 1 . . . . 183 SER C . 6685 1 1298 . 1 1 183 183 SER CA C 13 58.674 0.5 . 1 . . . . 183 SER CA . 6685 1 1299 . 1 1 183 183 SER CB C 13 65.259 0.5 . 1 . . . . 183 SER CB . 6685 1 1300 . 1 1 183 183 SER N N 15 110.557 0.1 . 1 . . . . 183 SER N . 6685 1 1301 . 1 1 184 184 ARG H H 1 8.080 0.05 . 1 . . . . 184 ARG HN . 6685 1 1302 . 1 1 184 184 ARG HA H 1 5.588 0.05 . 1 . . . . 184 ARG HA . 6685 1 1303 . 1 1 184 184 ARG HB2 H 1 3.354 0.05 . 2 . . . . 184 ARG HB1 . 6685 1 1304 . 1 1 184 184 ARG HB3 H 1 3.156 0.05 . 2 . . . . 184 ARG HB2 . 6685 1 1305 . 1 1 184 184 ARG HG2 H 1 1.500 0.05 . 2 . . . . 184 ARG HG1 . 6685 1 1306 . 1 1 184 184 ARG C C 13 180.912 0.5 . 1 . . . . 184 ARG C . 6685 1 1307 . 1 1 184 184 ARG CA C 13 60.438 0.5 . 1 . . . . 184 ARG CA . 6685 1 1308 . 1 1 184 184 ARG CB C 13 32.803 0.5 . 1 . . . . 184 ARG CB . 6685 1 1309 . 1 1 184 184 ARG CG C 13 26.930 0.5 . 1 . . . . 184 ARG CG . 6685 1 1310 . 1 1 184 184 ARG N N 15 122.514 0.1 . 1 . . . . 184 ARG N . 6685 1 1311 . 1 1 185 185 LEU H H 1 10.880 0.05 . 1 . . . . 185 LEU HN . 6685 1 1312 . 1 1 185 185 LEU C C 13 178.153 0.5 . 1 . . . . 185 LEU C . 6685 1 1313 . 1 1 185 185 LEU CA C 13 57.027 0.5 . 1 . . . . 185 LEU CA . 6685 1 1314 . 1 1 185 185 LEU CB C 13 44.210 0.5 . 1 . . . . 185 LEU CB . 6685 1 1315 . 1 1 185 185 LEU N N 15 120.654 0.1 . 1 . . . . 185 LEU N . 6685 1 1316 . 1 1 186 186 PHE H H 1 9.428 0.05 . 1 . . . . 186 PHE HN . 6685 1 1317 . 1 1 186 186 PHE C C 13 181.329 0.5 . 1 . . . . 186 PHE C . 6685 1 1318 . 1 1 186 186 PHE CA C 13 58.321 0.5 . 1 . . . . 186 PHE CA . 6685 1 1319 . 1 1 186 186 PHE CB C 13 36.448 0.5 . 1 . . . . 186 PHE CB . 6685 1 1320 . 1 1 186 186 PHE N N 15 120.920 0.1 . 1 . . . . 186 PHE N . 6685 1 1321 . 1 1 188 188 HIS H H 1 8.122 0.05 . 1 . . . . 188 HIS HN . 6685 1 1322 . 1 1 188 188 HIS HA H 1 4.211 0.05 . 1 . . . . 188 HIS HA . 6685 1 1323 . 1 1 188 188 HIS C C 13 175.302 0.5 . 1 . . . . 188 HIS C . 6685 1 1324 . 1 1 188 188 HIS CA C 13 56.675 0.5 . 1 . . . . 188 HIS CA . 6685 1 1325 . 1 1 188 188 HIS CB C 13 29.393 0.5 . 1 . . . . 188 HIS CB . 6685 1 1326 . 1 1 188 188 HIS N N 15 114.011 0.1 . 1 . . . . 188 HIS N . 6685 1 1327 . 1 1 189 189 GLY H H 1 6.969 0.05 . 1 . . . . 189 GLY HN . 6685 1 1328 . 1 1 189 189 GLY HA2 H 1 3.855 0.05 . 2 . . . . 189 GLY HA1 . 6685 1 1329 . 1 1 189 189 GLY HA3 H 1 3.030 0.05 . 2 . . . . 189 GLY HA2 . 6685 1 1330 . 1 1 189 189 GLY C C 13 169.992 0.5 . 1 . . . . 189 GLY C . 6685 1 1331 . 1 1 189 189 GLY CA C 13 45.150 0.5 . 1 . . . . 189 GLY CA . 6685 1 1332 . 1 1 189 189 GLY N N 15 107.900 0.1 . 1 . . . . 189 GLY N . 6685 1 1333 . 1 1 190 190 ILE H H 1 7.392 0.05 . 1 . . . . 190 ILE HN . 6685 1 1334 . 1 1 190 190 ILE C C 13 174.977 0.5 . 1 . . . . 190 ILE C . 6685 1 1335 . 1 1 190 190 ILE CA C 13 56.087 0.5 . 1 . . . . 190 ILE CA . 6685 1 1336 . 1 1 190 190 ILE CB C 13 39.858 0.5 . 1 . . . . 190 ILE CB . 6685 1 1337 . 1 1 190 190 ILE N N 15 117.731 0.1 . 1 . . . . 190 ILE N . 6685 1 1338 . 1 1 192 192 PRO HA H 1 4.763 0.05 . 1 . . . . 192 PRO HA . 6685 1 1339 . 1 1 192 192 PRO HB2 H 1 2.280 0.05 . 2 . . . . 192 PRO HB1 . 6685 1 1340 . 1 1 192 192 PRO C C 13 178.449 0.5 . 1 . . . . 192 PRO C . 6685 1 1341 . 1 1 192 192 PRO CA C 13 64.286 0.5 . 1 . . . . 192 PRO CA . 6685 1 1342 . 1 1 192 192 PRO CB C 13 31.649 0.5 . 1 . . . . 192 PRO CB . 6685 1 1343 . 1 1 192 192 PRO CD C 13 49.703 0.5 . 1 . . . . 192 PRO CD . 6685 1 1344 . 1 1 193 193 LEU H H 1 8.953 0.05 . 1 . . . . 193 LEU HN . 6685 1 1345 . 1 1 193 193 LEU HA H 1 4.447 0.05 . 1 . . . . 193 LEU HA . 6685 1 1346 . 1 1 193 193 LEU HB2 H 1 2.415 0.05 . 2 . . . . 193 LEU HB1 . 6685 1 1347 . 1 1 193 193 LEU HB3 H 1 1.926 0.05 . 2 . . . . 193 LEU HB2 . 6685 1 1348 . 1 1 193 193 LEU HG H 1 2.132 0.05 . 1 . . . . 193 LEU HG . 6685 1 1349 . 1 1 193 193 LEU HD11 H 1 1.255 0.05 . 2 . . . . 193 LEU HD1 . 6685 1 1350 . 1 1 193 193 LEU HD12 H 1 1.255 0.05 . 2 . . . . 193 LEU HD1 . 6685 1 1351 . 1 1 193 193 LEU HD13 H 1 1.255 0.05 . 2 . . . . 193 LEU HD1 . 6685 1 1352 . 1 1 193 193 LEU HD21 H 1 1.114 0.05 . 2 . . . . 193 LEU HD2 . 6685 1 1353 . 1 1 193 193 LEU HD22 H 1 1.114 0.05 . 2 . . . . 193 LEU HD2 . 6685 1 1354 . 1 1 193 193 LEU HD23 H 1 1.114 0.05 . 2 . . . . 193 LEU HD2 . 6685 1 1355 . 1 1 193 193 LEU C C 13 179.034 0.5 . 1 . . . . 193 LEU C . 6685 1 1356 . 1 1 193 193 LEU CA C 13 57.498 0.5 . 1 . . . . 193 LEU CA . 6685 1 1357 . 1 1 193 193 LEU CB C 13 44.562 0.5 . 1 . . . . 193 LEU CB . 6685 1 1358 . 1 1 193 193 LEU CG C 13 28.310 0.5 . 1 . . . . 193 LEU CG . 6685 1 1359 . 1 1 193 193 LEU CD1 C 13 26.800 0.5 . 1 . . . . 193 LEU CD1 . 6685 1 1360 . 1 1 193 193 LEU CD2 C 13 27.300 0.5 . 1 . . . . 193 LEU CD2 . 6685 1 1361 . 1 1 193 193 LEU N N 15 127.563 0.1 . 1 . . . . 193 LEU N . 6685 1 1362 . 1 1 194 194 LYS H H 1 9.168 0.05 . 1 . . . . 194 LYS HN . 6685 1 1363 . 1 1 194 194 LYS HA H 1 4.453 0.05 . 1 . . . . 194 LYS HA . 6685 1 1364 . 1 1 194 194 LYS HB2 H 1 2.201 0.05 . 2 . . . . 194 LYS HB2 . 6685 1 1365 . 1 1 194 194 LYS C C 13 176.252 0.5 . 1 . . . . 194 LYS C . 6685 1 1366 . 1 1 194 194 LYS CA C 13 57.263 0.5 . 1 . . . . 194 LYS CA . 6685 1 1367 . 1 1 194 194 LYS CB C 13 33.744 0.5 . 1 . . . . 194 LYS CB . 6685 1 1368 . 1 1 194 194 LYS CG C 13 25.392 0.5 . 1 . . . . 194 LYS CG . 6685 1 1369 . 1 1 194 194 LYS CD C 13 29.784 0.5 . 1 . . . . 194 LYS CD . 6685 1 1370 . 1 1 194 194 LYS N N 15 129.955 0.1 . 1 . . . . 194 LYS N . 6685 1 1371 . 1 1 195 195 ALA H H 1 8.422 0.05 . 1 . . . . 195 ALA HN . 6685 1 1372 . 1 1 195 195 ALA HA H 1 4.310 0.05 . 1 . . . . 195 ALA HA . 6685 1 1373 . 1 1 195 195 ALA HB1 H 1 1.594 0.05 . 1 . . . . 195 ALA HB . 6685 1 1374 . 1 1 195 195 ALA HB2 H 1 1.594 0.05 . 1 . . . . 195 ALA HB . 6685 1 1375 . 1 1 195 195 ALA HB3 H 1 1.594 0.05 . 1 . . . . 195 ALA HB . 6685 1 1376 . 1 1 195 195 ALA C C 13 177.574 0.5 . 1 . . . . 195 ALA C . 6685 1 1377 . 1 1 195 195 ALA CA C 13 53.500 0.5 . 1 . . . . 195 ALA CA . 6685 1 1378 . 1 1 195 195 ALA CB C 13 19.867 0.5 . 1 . . . . 195 ALA CB . 6685 1 1379 . 1 1 195 195 ALA N N 15 123.046 0.1 . 1 . . . . 195 ALA N . 6685 1 1380 . 1 1 196 196 GLY H H 1 7.612 0.05 . 1 . . . . 196 GLY HN . 6685 1 1381 . 1 1 196 196 GLY HA2 H 1 4.182 0.05 . 1 . . . . 196 GLY HA1 . 6685 1 1382 . 1 1 196 196 GLY HA3 H 1 4.182 0.05 . 1 . . . . 196 GLY HA2 . 6685 1 1383 . 1 1 196 196 GLY C C 13 170.642 0.5 . 1 . . . . 196 GLY C . 6685 1 1384 . 1 1 196 196 GLY CA C 13 46.091 0.5 . 1 . . . . 196 GLY CA . 6685 1 1385 . 1 1 196 196 GLY N N 15 107.103 0.1 . 1 . . . . 196 GLY N . 6685 1 1386 . 1 1 197 197 PHE H H 1 8.546 0.05 . 1 . . . . 197 PHE HN . 6685 1 1387 . 1 1 197 197 PHE HA H 1 5.324 0.05 . 1 . . . . 197 PHE HA . 6685 1 1388 . 1 1 197 197 PHE HB2 H 1 3.155 0.05 . 2 . . . . 197 PHE HB1 . 6685 1 1389 . 1 1 197 197 PHE HB3 H 1 2.866 0.05 . 2 . . . . 197 PHE HB2 . 6685 1 1390 . 1 1 197 197 PHE C C 13 174.258 0.5 . 1 . . . . 197 PHE C . 6685 1 1391 . 1 1 197 197 PHE CA C 13 57.851 0.5 . 1 . . . . 197 PHE CA . 6685 1 1392 . 1 1 197 197 PHE CB C 13 43.269 0.5 . 1 . . . . 197 PHE CB . 6685 1 1393 . 1 1 197 197 PHE N N 15 120.123 0.1 . 1 . . . . 197 PHE N . 6685 1 1394 . 1 1 198 198 HIS H H 1 8.384 0.05 . 1 . . . . 198 HIS HN . 6685 1 1395 . 1 1 198 198 HIS C C 13 173.980 0.5 . 1 . . . . 198 HIS C . 6685 1 1396 . 1 1 198 198 HIS CA C 13 55.734 0.5 . 1 . . . . 198 HIS CA . 6685 1 1397 . 1 1 198 198 HIS CB C 13 35.037 0.5 . 1 . . . . 198 HIS CB . 6685 1 1398 . 1 1 198 198 HIS N N 15 129.687 0.1 . 1 . . . . 198 HIS N . 6685 1 1399 . 1 1 199 199 PRO HA H 1 4.268 0.05 . 1 . . . . 199 PRO HA . 6685 1 1400 . 1 1 199 199 PRO HB2 H 1 2.389 0.05 . 2 . . . . 199 PRO HB1 . 6685 1 1401 . 1 1 199 199 PRO HB3 H 1 1.879 0.05 . 2 . . . . 199 PRO HB2 . 6685 1 1402 . 1 1 199 199 PRO C C 13 177.973 0.5 . 1 . . . . 199 PRO C . 6685 1 1403 . 1 1 199 199 PRO CA C 13 65.543 0.5 . 1 . . . . 199 PRO CA . 6685 1 1404 . 1 1 199 199 PRO CB C 13 32.957 0.5 . 1 . . . . 199 PRO CB . 6685 1 1405 . 1 1 199 199 PRO CG C 13 27.396 0.5 . 1 . . . . 199 PRO CG . 6685 1 1406 . 1 1 199 199 PRO CD C 13 50.028 0.5 . 1 . . . . 199 PRO CD . 6685 1 1407 . 1 1 200 200 LEU H H 1 9.800 0.05 . 1 . . . . 200 LEU HN . 6685 1 1408 . 1 1 200 200 LEU HA H 1 4.808 0.05 . 1 . . . . 200 LEU HA . 6685 1 1409 . 1 1 200 200 LEU HB2 H 1 1.821 0.05 . 1 . . . . 200 LEU HB1 . 6685 1 1410 . 1 1 200 200 LEU HB3 H 1 1.821 0.05 . 1 . . . . 200 LEU HB2 . 6685 1 1411 . 1 1 200 200 LEU C C 13 178.501 0.5 . 1 . . . . 200 LEU C . 6685 1 1412 . 1 1 200 200 LEU CA C 13 56.439 0.5 . 1 . . . . 200 LEU CA . 6685 1 1413 . 1 1 200 200 LEU CB C 13 44.210 0.5 . 1 . . . . 200 LEU CB . 6685 1 1414 . 1 1 200 200 LEU CG C 13 26.067 0.5 . 1 . . . . 200 LEU CG . 6685 1 1415 . 1 1 200 200 LEU N N 15 116.934 0.1 . 1 . . . . 200 LEU N . 6685 1 1416 . 1 1 201 201 THR H H 1 7.449 0.05 . 1 . . . . 201 THR HN . 6685 1 1417 . 1 1 201 201 THR C C 13 176.136 0.5 . 1 . . . . 201 THR C . 6685 1 1418 . 1 1 201 201 THR CA C 13 62.907 0.5 . 1 . . . . 201 THR CA . 6685 1 1419 . 1 1 201 201 THR CB C 13 69.375 0.5 . 1 . . . . 201 THR CB . 6685 1 1420 . 1 1 201 201 THR N N 15 106.305 0.1 . 1 . . . . 201 THR N . 6685 1 1421 . 1 1 202 202 THR H H 1 8.614 0.05 . 1 . . . . 202 THR HN . 6685 1 1422 . 1 1 202 202 THR HA H 1 4.825 0.05 . 1 . . . . 202 THR HA . 6685 1 1423 . 1 1 202 202 THR HB H 1 3.646 0.05 . 1 . . . . 202 THR HB . 6685 1 1424 . 1 1 202 202 THR HG21 H 1 1.467 0.05 . 1 . . . . 202 THR HG2 . 6685 1 1425 . 1 1 202 202 THR HG22 H 1 1.467 0.05 . 1 . . . . 202 THR HG2 . 6685 1 1426 . 1 1 202 202 THR HG23 H 1 1.467 0.05 . 1 . . . . 202 THR HG2 . 6685 1 1427 . 1 1 202 202 THR CA C 13 67.197 0.5 . 1 . . . . 202 THR CA . 6685 1 1428 . 1 1 202 202 THR CB C 13 67.493 0.5 . 1 . . . . 202 THR CB . 6685 1 1429 . 1 1 202 202 THR CG2 C 13 22.760 0.5 . 1 . . . . 202 THR CG2 . 6685 1 1430 . 1 1 202 202 THR N N 15 118.077 0.1 . 1 . . . . 202 THR N . 6685 1 1431 . 1 1 203 203 ASP H H 1 9.173 0.05 . 1 . . . . 203 ASP HN . 6685 1 1432 . 1 1 203 203 ASP HA H 1 5.155 0.05 . 1 . . . . 203 ASP HA . 6685 1 1433 . 1 1 203 203 ASP HB2 H 1 3.345 0.05 . 2 . . . . 203 ASP HB1 . 6685 1 1434 . 1 1 203 203 ASP HB3 H 1 2.792 0.05 . 2 . . . . 203 ASP HB2 . 6685 1 1435 . 1 1 203 203 ASP C C 13 175.070 0.5 . 1 . . . . 203 ASP C . 6685 1 1436 . 1 1 203 203 ASP CA C 13 53.735 0.5 . 1 . . . . 203 ASP CA . 6685 1 1437 . 1 1 203 203 ASP CB C 13 41.034 0.5 . 1 . . . . 203 ASP CB . 6685 1 1438 . 1 1 203 203 ASP N N 15 123.943 0.1 . 1 . . . . 203 ASP N . 6685 1 1439 . 1 1 204 204 CYS H H 1 7.308 0.05 . 1 . . . . 204 CYS HN . 6685 1 1440 . 1 1 204 204 CYS HA H 1 5.744 0.05 . 1 . . . . 204 CYS HA . 6685 1 1441 . 1 1 204 204 CYS HB2 H 1 2.959 0.05 . 2 . . . . 204 CYS HB1 . 6685 1 1442 . 1 1 204 204 CYS HB3 H 1 2.840 0.05 . 2 . . . . 204 CYS HB2 . 6685 1 1443 . 1 1 204 204 CYS C C 13 174.768 0.5 . 1 . . . . 204 CYS C . 6685 1 1444 . 1 1 204 204 CYS CA C 13 57.380 0.5 . 1 . . . . 204 CYS CA . 6685 1 1445 . 1 1 204 204 CYS CB C 13 32.685 0.5 . 1 . . . . 204 CYS CB . 6685 1 1446 . 1 1 204 204 CYS N N 15 108.697 0.1 . 1 . . . . 204 CYS N . 6685 1 1447 . 1 1 205 205 ARG H H 1 9.088 0.05 . 1 . . . . 205 ARG HN . 6685 1 1448 . 1 1 205 205 ARG HA H 1 5.733 0.05 . 1 . . . . 205 ARG HA . 6685 1 1449 . 1 1 205 205 ARG HB2 H 1 2.312 0.05 . 2 . . . . 205 ARG HB1 . 6685 1 1450 . 1 1 205 205 ARG HB3 H 1 2.094 0.05 . 2 . . . . 205 ARG HB2 . 6685 1 1451 . 1 1 205 205 ARG HD2 H 1 2.767 0.05 . 2 . . . . 205 ARG HD1 . 6685 1 1452 . 1 1 205 205 ARG HD3 H 1 3.647 0.05 . 2 . . . . 205 ARG HD2 . 6685 1 1453 . 1 1 205 205 ARG C C 13 176.275 0.5 . 1 . . . . 205 ARG C . 6685 1 1454 . 1 1 205 205 ARG CA C 13 55.146 0.5 . 1 . . . . 205 ARG CA . 6685 1 1455 . 1 1 205 205 ARG CB C 13 35.743 0.5 . 1 . . . . 205 ARG CB . 6685 1 1456 . 1 1 205 205 ARG CD C 13 44.821 0.5 . 1 . . . . 205 ARG CD . 6685 1 1457 . 1 1 205 205 ARG N N 15 123.046 0.1 . 1 . . . . 205 ARG N . 6685 1 1458 . 1 1 206 206 TYR H H 1 9.970 0.05 . 1 . . . . 206 TYR HN . 6685 1 1459 . 1 1 206 206 TYR HA H 1 6.820 0.05 . 1 . . . . 206 TYR HA . 6685 1 1460 . 1 1 206 206 TYR HB2 H 1 3.426 0.05 . 2 . . . . 206 TYR HB1 . 6685 1 1461 . 1 1 206 206 TYR HB3 H 1 3.060 0.05 . 2 . . . . 206 TYR HB2 . 6685 1 1462 . 1 1 206 206 TYR C C 13 175.139 0.5 . 1 . . . . 206 TYR C . 6685 1 1463 . 1 1 206 206 TYR CA C 13 57.968 0.5 . 1 . . . . 206 TYR CA . 6685 1 1464 . 1 1 206 206 TYR CB C 13 43.974 0.5 . 1 . . . . 206 TYR CB . 6685 1 1465 . 1 1 206 206 TYR N N 15 123.843 0.1 . 1 . . . . 206 TYR N . 6685 1 1466 . 1 1 207 207 ASN H H 1 10.985 0.05 . 1 . . . . 207 ASN HN . 6685 1 1467 . 1 1 207 207 ASN HA H 1 7.110 0.05 . 1 . . . . 207 ASN HA . 6685 1 1468 . 1 1 207 207 ASN HB2 H 1 5.111 0.05 . 2 . . . . 207 ASN HB1 . 6685 1 1469 . 1 1 207 207 ASN HB3 H 1 4.915 0.05 . 2 . . . . 207 ASN HB2 . 6685 1 1470 . 1 1 207 207 ASN C C 13 173.957 0.5 . 1 . . . . 207 ASN C . 6685 1 1471 . 1 1 207 207 ASN CA C 13 52.088 0.5 . 1 . . . . 207 ASN CA . 6685 1 1472 . 1 1 207 207 ASN CB C 13 48.678 0.5 . 1 . . . . 207 ASN CB . 6685 1 1473 . 1 1 207 207 ASN N N 15 121.717 0.1 . 1 . . . . 207 ASN N . 6685 1 1474 . 1 1 208 208 LEU H H 1 8.717 0.05 . 1 . . . . 208 LEU HN . 6685 1 1475 . 1 1 208 208 LEU N N 15 122.329 0.1 . 1 . . . . 208 LEU N . 6685 1 1476 . 1 1 210 210 PHE HA H 1 4.638 0.05 . 1 . . . . 210 PHE HA . 6685 1 1477 . 1 1 210 210 PHE CA C 13 57.095 0.5 . 1 . . . . 210 PHE CA . 6685 1 1478 . 1 1 210 210 PHE CB C 13 42.601 0.5 . 1 . . . . 210 PHE CB . 6685 1 1479 . 1 1 211 211 ARG H H 1 8.149 0.05 . 1 . . . . 211 ARG HN . 6685 1 1480 . 1 1 211 211 ARG HA H 1 5.643 0.05 . 1 . . . . 211 ARG HA . 6685 1 1481 . 1 1 211 211 ARG HB2 H 1 4.765 0.05 . 2 . . . . 211 ARG HB1 . 6685 1 1482 . 1 1 211 211 ARG C C 13 174.699 0.5 . 1 . . . . 211 ARG C . 6685 1 1483 . 1 1 211 211 ARG CA C 13 54.323 0.5 . 1 . . . . 211 ARG CA . 6685 1 1484 . 1 1 211 211 ARG CB C 13 35.507 0.5 . 1 . . . . 211 ARG CB . 6685 1 1485 . 1 1 211 211 ARG N N 15 115.340 0.1 . 1 . . . . 211 ARG N . 6685 1 1486 . 1 1 212 212 GLN H H 1 9.788 0.05 . 1 . . . . 212 GLN HN . 6685 1 1487 . 1 1 212 212 GLN HA H 1 4.481 0.05 . 1 . . . . 212 GLN HA . 6685 1 1488 . 1 1 212 212 GLN C C 13 174.722 0.5 . 1 . . . . 212 GLN C . 6685 1 1489 . 1 1 212 212 GLN CA C 13 56.204 0.5 . 1 . . . . 212 GLN CA . 6685 1 1490 . 1 1 212 212 GLN CB C 13 29.745 0.5 . 1 . . . . 212 GLN CB . 6685 1 1491 . 1 1 212 212 GLN CG C 13 34.346 0.5 . 1 . . . . 212 GLN CG . 6685 1 1492 . 1 1 212 212 GLN N N 15 121.452 0.1 . 1 . . . . 212 GLN N . 6685 1 1493 . 1 1 213 213 ALA H H 1 11.857 0.05 . 1 . . . . 213 ALA HN . 6685 1 1494 . 1 1 213 213 ALA HA H 1 3.765 0.05 . 1 . . . . 213 ALA HA . 6685 1 1495 . 1 1 213 213 ALA HB1 H 1 -0.378 0.05 . 1 . . . . 213 ALA HB . 6685 1 1496 . 1 1 213 213 ALA HB2 H 1 -0.378 0.05 . 1 . . . . 213 ALA HB . 6685 1 1497 . 1 1 213 213 ALA HB3 H 1 -0.378 0.05 . 1 . . . . 213 ALA HB . 6685 1 1498 . 1 1 213 213 ALA C C 13 176.206 0.5 . 1 . . . . 213 ALA C . 6685 1 1499 . 1 1 213 213 ALA CA C 13 53.264 0.5 . 1 . . . . 213 ALA CA . 6685 1 1500 . 1 1 213 213 ALA CB C 13 19.044 0.5 . 1 . . . . 213 ALA CB . 6685 1 1501 . 1 1 213 213 ALA N N 15 103.117 0.1 . 1 . . . . 213 ALA N . 6685 1 1502 . 1 1 214 214 GLY H H 1 9.007 0.05 . 1 . . . . 214 GLY HN . 6685 1 1503 . 1 1 214 214 GLY HA2 H 1 4.006 0.05 . 2 . . . . 214 GLY HA1 . 6685 1 1504 . 1 1 214 214 GLY HA3 H 1 3.351 0.05 . 2 . . . . 214 GLY HA2 . 6685 1 1505 . 1 1 214 214 GLY C C 13 174.212 0.5 . 1 . . . . 214 GLY C . 6685 1 1506 . 1 1 214 214 GLY CA C 13 44.327 0.5 . 1 . . . . 214 GLY CA . 6685 1 1507 . 1 1 214 214 GLY N N 15 109.697 0.1 . 1 . . . . 214 GLY N . 6685 1 1508 . 1 1 215 215 LYS H H 1 8.260 0.05 . 1 . . . . 215 LYS HN . 6685 1 1509 . 1 1 215 215 LYS C C 13 176.391 0.5 . 1 . . . . 215 LYS C . 6685 1 1510 . 1 1 215 215 LYS CA C 13 56.322 0.5 . 1 . . . . 215 LYS CA . 6685 1 1511 . 1 1 215 215 LYS CB C 13 34.332 0.5 . 1 . . . . 215 LYS CB . 6685 1 1512 . 1 1 215 215 LYS N N 15 120.654 0.1 . 1 . . . . 215 LYS N . 6685 1 1513 . 1 1 216 216 LYS H H 1 8.582 0.05 . 1 . . . . 216 LYS HN . 6685 1 1514 . 1 1 216 216 LYS CA C 13 57.027 0.5 . 1 . . . . 216 LYS CA . 6685 1 1515 . 1 1 216 216 LYS CB C 13 33.626 0.5 . 1 . . . . 216 LYS CB . 6685 1 1516 . 1 1 216 216 LYS N N 15 124.109 0.1 . 1 . . . . 216 LYS N . 6685 1 1517 . 1 1 217 217 GLU H H 1 8.521 0.05 . 1 . . . . 217 GLU HN . 6685 1 1518 . 1 1 217 217 GLU CA C 13 57.304 0.5 . 1 . . . . 217 GLU CA . 6685 1 1519 . 1 1 217 217 GLU CB C 13 31.010 0.5 . 1 . . . . 217 GLU CB . 6685 1 1520 . 1 1 217 217 GLU N N 15 123.126 0.1 . 1 . . . . 217 GLU N . 6685 1 stop_ save_