data_34781 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34781 _Entry.Title ; Solution structure of carotenoid-binding protein AstaPo1 in complex with astaxanthin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-20 _Entry.Accession_date 2022-12-20 _Entry.Last_release_date 2023-01-17 _Entry.Original_release_date 2023-01-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Kornilov F. D. . . 34781 2 A. Savitskaya A. G. . . 34781 3 Y. Slonimskiy Y. B. . . 34781 4 S. Goncharuk S. A. . . 34781 5 N. Sluchanko N. N. . . 34781 6 K. Mineev K. S. . . 34781 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ASTAXANTHIN . 34781 CAROTENOID . 34781 PROTEIN . 34781 'TRANSPORT PROTEIN' . 34781 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34781 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 851 34781 '15N chemical shifts' 178 34781 '1H chemical shifts' 1397 34781 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-06-02 2022-12-20 update BMRB 'update entry citation' 34781 1 . . 2023-03-29 2022-12-20 original author 'original release' 34781 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8C18 'BMRB Entry Tracking System' 34781 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34781 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37117801 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for the ligand promiscuity of the neofunctionalized, carotenoid-binding fasciclin domain protein AstaP ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _Citation.Journal_CSD 0353 _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 471 _Citation.Page_last 471 _Citation.Year 2023 _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 F. Kornilov F. D. . . 34781 1 2 Y. Slonimsky Y. B. . . 34781 1 3 D. Lunegova D. A. . . 34781 1 4 N. Egorkin N. A. . . 34781 1 5 A. Savitskaya A. G. . . 34781 1 6 S. Kleymenov S. Y. . . 34781 1 7 E. Maksimov E. G. . . 34781 1 8 S. Goncharuk S. A. . . 34781 1 9 K. Mineev K. S. . . 34781 1 10 N. Sluchanko N. N. . . 34781 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34781 _Assembly.ID 1 _Assembly.Name 'Astaxanthin binding fasciclin family protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34781 1 2 unit_2 2 $entity_AXT B A no . . . . . . 34781 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34781 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMATPKANATTAKPASTT STPVYATLSNAVTAGAAAPQ LTTLFAAVRAANVTGALTAN TTWTILAPTNDAFAKRLAKL NLTADAVLKNKDLLVKILSY HVIPSGAVYSKALKDNATVA TALKDASVTVRLYQGKVMFK GPVNKAQVTVADIKAGGSVI HVINDVLLPPGVVSDAVAKQ WKAEWEAMKAEKKVAPKATT GRRFLLF ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21634.139 _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 17 GLY . 34781 1 2 18 PRO . 34781 1 3 19 HIS . 34781 1 4 20 MET . 34781 1 5 21 ALA . 34781 1 6 22 THR . 34781 1 7 23 PRO . 34781 1 8 24 LYS . 34781 1 9 25 ALA . 34781 1 10 26 ASN . 34781 1 11 27 ALA . 34781 1 12 28 THR . 34781 1 13 29 THR . 34781 1 14 30 ALA . 34781 1 15 31 LYS . 34781 1 16 32 PRO . 34781 1 17 33 ALA . 34781 1 18 34 SER . 34781 1 19 35 THR . 34781 1 20 36 THR . 34781 1 21 37 SER . 34781 1 22 38 THR . 34781 1 23 39 PRO . 34781 1 24 40 VAL . 34781 1 25 41 TYR . 34781 1 26 42 ALA . 34781 1 27 43 THR . 34781 1 28 44 LEU . 34781 1 29 45 SER . 34781 1 30 46 ASN . 34781 1 31 47 ALA . 34781 1 32 48 VAL . 34781 1 33 49 THR . 34781 1 34 50 ALA . 34781 1 35 51 GLY . 34781 1 36 52 ALA . 34781 1 37 53 ALA . 34781 1 38 54 ALA . 34781 1 39 55 PRO . 34781 1 40 56 GLN . 34781 1 41 57 LEU . 34781 1 42 58 THR . 34781 1 43 59 THR . 34781 1 44 60 LEU . 34781 1 45 61 PHE . 34781 1 46 62 ALA . 34781 1 47 63 ALA . 34781 1 48 64 VAL . 34781 1 49 65 ARG . 34781 1 50 66 ALA . 34781 1 51 67 ALA . 34781 1 52 68 ASN . 34781 1 53 69 VAL . 34781 1 54 70 THR . 34781 1 55 71 GLY . 34781 1 56 72 ALA . 34781 1 57 73 LEU . 34781 1 58 74 THR . 34781 1 59 75 ALA . 34781 1 60 76 ASN . 34781 1 61 77 THR . 34781 1 62 78 THR . 34781 1 63 79 TRP . 34781 1 64 80 THR . 34781 1 65 81 ILE . 34781 1 66 82 LEU . 34781 1 67 83 ALA . 34781 1 68 84 PRO . 34781 1 69 85 THR . 34781 1 70 86 ASN . 34781 1 71 87 ASP . 34781 1 72 88 ALA . 34781 1 73 89 PHE . 34781 1 74 90 ALA . 34781 1 75 91 LYS . 34781 1 76 92 ARG . 34781 1 77 93 LEU . 34781 1 78 94 ALA . 34781 1 79 95 LYS . 34781 1 80 96 LEU . 34781 1 81 97 ASN . 34781 1 82 98 LEU . 34781 1 83 99 THR . 34781 1 84 100 ALA . 34781 1 85 101 ASP . 34781 1 86 102 ALA . 34781 1 87 103 VAL . 34781 1 88 104 LEU . 34781 1 89 105 LYS . 34781 1 90 106 ASN . 34781 1 91 107 LYS . 34781 1 92 108 ASP . 34781 1 93 109 LEU . 34781 1 94 110 LEU . 34781 1 95 111 VAL . 34781 1 96 112 LYS . 34781 1 97 113 ILE . 34781 1 98 114 LEU . 34781 1 99 115 SER . 34781 1 100 116 TYR . 34781 1 101 117 HIS . 34781 1 102 118 VAL . 34781 1 103 119 ILE . 34781 1 104 120 PRO . 34781 1 105 121 SER . 34781 1 106 122 GLY . 34781 1 107 123 ALA . 34781 1 108 124 VAL . 34781 1 109 125 TYR . 34781 1 110 126 SER . 34781 1 111 127 LYS . 34781 1 112 128 ALA . 34781 1 113 129 LEU . 34781 1 114 130 LYS . 34781 1 115 131 ASP . 34781 1 116 132 ASN . 34781 1 117 133 ALA . 34781 1 118 134 THR . 34781 1 119 135 VAL . 34781 1 120 136 ALA . 34781 1 121 137 THR . 34781 1 122 138 ALA . 34781 1 123 139 LEU . 34781 1 124 140 LYS . 34781 1 125 141 ASP . 34781 1 126 142 ALA . 34781 1 127 143 SER . 34781 1 128 144 VAL . 34781 1 129 145 THR . 34781 1 130 146 VAL . 34781 1 131 147 ARG . 34781 1 132 148 LEU . 34781 1 133 149 TYR . 34781 1 134 150 GLN . 34781 1 135 151 GLY . 34781 1 136 152 LYS . 34781 1 137 153 VAL . 34781 1 138 154 MET . 34781 1 139 155 PHE . 34781 1 140 156 LYS . 34781 1 141 157 GLY . 34781 1 142 158 PRO . 34781 1 143 159 VAL . 34781 1 144 160 ASN . 34781 1 145 161 LYS . 34781 1 146 162 ALA . 34781 1 147 163 GLN . 34781 1 148 164 VAL . 34781 1 149 165 THR . 34781 1 150 166 VAL . 34781 1 151 167 ALA . 34781 1 152 168 ASP . 34781 1 153 169 ILE . 34781 1 154 170 LYS . 34781 1 155 171 ALA . 34781 1 156 172 GLY . 34781 1 157 173 GLY . 34781 1 158 174 SER . 34781 1 159 175 VAL . 34781 1 160 176 ILE . 34781 1 161 177 HIS . 34781 1 162 178 VAL . 34781 1 163 179 ILE . 34781 1 164 180 ASN . 34781 1 165 181 ASP . 34781 1 166 182 VAL . 34781 1 167 183 LEU . 34781 1 168 184 LEU . 34781 1 169 185 PRO . 34781 1 170 186 PRO . 34781 1 171 187 GLY . 34781 1 172 188 VAL . 34781 1 173 189 VAL . 34781 1 174 190 SER . 34781 1 175 191 ASP . 34781 1 176 192 ALA . 34781 1 177 193 VAL . 34781 1 178 194 ALA . 34781 1 179 195 LYS . 34781 1 180 196 GLN . 34781 1 181 197 TRP . 34781 1 182 198 LYS . 34781 1 183 199 ALA . 34781 1 184 200 GLU . 34781 1 185 201 TRP . 34781 1 186 202 GLU . 34781 1 187 203 ALA . 34781 1 188 204 MET . 34781 1 189 205 LYS . 34781 1 190 206 ALA . 34781 1 191 207 GLU . 34781 1 192 208 LYS . 34781 1 193 209 LYS . 34781 1 194 210 VAL . 34781 1 195 211 ALA . 34781 1 196 212 PRO . 34781 1 197 213 LYS . 34781 1 198 214 ALA . 34781 1 199 215 THR . 34781 1 200 216 THR . 34781 1 201 217 GLY . 34781 1 202 218 ARG . 34781 1 203 219 ARG . 34781 1 204 220 PHE . 34781 1 205 221 LEU . 34781 1 206 222 LEU . 34781 1 207 223 PHE . 34781 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34781 1 . PRO 2 2 34781 1 . HIS 3 3 34781 1 . MET 4 4 34781 1 . ALA 5 5 34781 1 . THR 6 6 34781 1 . PRO 7 7 34781 1 . LYS 8 8 34781 1 . ALA 9 9 34781 1 . ASN 10 10 34781 1 . ALA 11 11 34781 1 . THR 12 12 34781 1 . THR 13 13 34781 1 . ALA 14 14 34781 1 . LYS 15 15 34781 1 . PRO 16 16 34781 1 . ALA 17 17 34781 1 . SER 18 18 34781 1 . THR 19 19 34781 1 . THR 20 20 34781 1 . SER 21 21 34781 1 . THR 22 22 34781 1 . PRO 23 23 34781 1 . VAL 24 24 34781 1 . TYR 25 25 34781 1 . ALA 26 26 34781 1 . THR 27 27 34781 1 . LEU 28 28 34781 1 . SER 29 29 34781 1 . ASN 30 30 34781 1 . ALA 31 31 34781 1 . VAL 32 32 34781 1 . THR 33 33 34781 1 . ALA 34 34 34781 1 . GLY 35 35 34781 1 . ALA 36 36 34781 1 . ALA 37 37 34781 1 . ALA 38 38 34781 1 . PRO 39 39 34781 1 . GLN 40 40 34781 1 . LEU 41 41 34781 1 . THR 42 42 34781 1 . THR 43 43 34781 1 . LEU 44 44 34781 1 . PHE 45 45 34781 1 . ALA 46 46 34781 1 . ALA 47 47 34781 1 . VAL 48 48 34781 1 . ARG 49 49 34781 1 . ALA 50 50 34781 1 . ALA 51 51 34781 1 . ASN 52 52 34781 1 . VAL 53 53 34781 1 . THR 54 54 34781 1 . GLY 55 55 34781 1 . ALA 56 56 34781 1 . LEU 57 57 34781 1 . THR 58 58 34781 1 . ALA 59 59 34781 1 . ASN 60 60 34781 1 . THR 61 61 34781 1 . THR 62 62 34781 1 . TRP 63 63 34781 1 . THR 64 64 34781 1 . ILE 65 65 34781 1 . LEU 66 66 34781 1 . ALA 67 67 34781 1 . PRO 68 68 34781 1 . THR 69 69 34781 1 . ASN 70 70 34781 1 . ASP 71 71 34781 1 . ALA 72 72 34781 1 . PHE 73 73 34781 1 . ALA 74 74 34781 1 . LYS 75 75 34781 1 . ARG 76 76 34781 1 . LEU 77 77 34781 1 . ALA 78 78 34781 1 . LYS 79 79 34781 1 . LEU 80 80 34781 1 . ASN 81 81 34781 1 . LEU 82 82 34781 1 . THR 83 83 34781 1 . ALA 84 84 34781 1 . ASP 85 85 34781 1 . ALA 86 86 34781 1 . VAL 87 87 34781 1 . LEU 88 88 34781 1 . LYS 89 89 34781 1 . ASN 90 90 34781 1 . LYS 91 91 34781 1 . ASP 92 92 34781 1 . LEU 93 93 34781 1 . LEU 94 94 34781 1 . VAL 95 95 34781 1 . LYS 96 96 34781 1 . ILE 97 97 34781 1 . LEU 98 98 34781 1 . SER 99 99 34781 1 . TYR 100 100 34781 1 . HIS 101 101 34781 1 . VAL 102 102 34781 1 . ILE 103 103 34781 1 . PRO 104 104 34781 1 . SER 105 105 34781 1 . GLY 106 106 34781 1 . ALA 107 107 34781 1 . VAL 108 108 34781 1 . TYR 109 109 34781 1 . SER 110 110 34781 1 . LYS 111 111 34781 1 . ALA 112 112 34781 1 . LEU 113 113 34781 1 . LYS 114 114 34781 1 . ASP 115 115 34781 1 . ASN 116 116 34781 1 . ALA 117 117 34781 1 . THR 118 118 34781 1 . VAL 119 119 34781 1 . ALA 120 120 34781 1 . THR 121 121 34781 1 . ALA 122 122 34781 1 . LEU 123 123 34781 1 . LYS 124 124 34781 1 . ASP 125 125 34781 1 . ALA 126 126 34781 1 . SER 127 127 34781 1 . VAL 128 128 34781 1 . THR 129 129 34781 1 . VAL 130 130 34781 1 . ARG 131 131 34781 1 . LEU 132 132 34781 1 . TYR 133 133 34781 1 . GLN 134 134 34781 1 . GLY 135 135 34781 1 . LYS 136 136 34781 1 . VAL 137 137 34781 1 . MET 138 138 34781 1 . PHE 139 139 34781 1 . LYS 140 140 34781 1 . GLY 141 141 34781 1 . PRO 142 142 34781 1 . VAL 143 143 34781 1 . ASN 144 144 34781 1 . LYS 145 145 34781 1 . ALA 146 146 34781 1 . GLN 147 147 34781 1 . VAL 148 148 34781 1 . THR 149 149 34781 1 . VAL 150 150 34781 1 . ALA 151 151 34781 1 . ASP 152 152 34781 1 . ILE 153 153 34781 1 . LYS 154 154 34781 1 . ALA 155 155 34781 1 . GLY 156 156 34781 1 . GLY 157 157 34781 1 . SER 158 158 34781 1 . VAL 159 159 34781 1 . ILE 160 160 34781 1 . HIS 161 161 34781 1 . VAL 162 162 34781 1 . ILE 163 163 34781 1 . ASN 164 164 34781 1 . ASP 165 165 34781 1 . VAL 166 166 34781 1 . LEU 167 167 34781 1 . LEU 168 168 34781 1 . PRO 169 169 34781 1 . PRO 170 170 34781 1 . GLY 171 171 34781 1 . VAL 172 172 34781 1 . VAL 173 173 34781 1 . SER 174 174 34781 1 . ASP 175 175 34781 1 . ALA 176 176 34781 1 . VAL 177 177 34781 1 . ALA 178 178 34781 1 . LYS 179 179 34781 1 . GLN 180 180 34781 1 . TRP 181 181 34781 1 . LYS 182 182 34781 1 . ALA 183 183 34781 1 . GLU 184 184 34781 1 . TRP 185 185 34781 1 . GLU 186 186 34781 1 . ALA 187 187 34781 1 . MET 188 188 34781 1 . LYS 189 189 34781 1 . ALA 190 190 34781 1 . GLU 191 191 34781 1 . LYS 192 192 34781 1 . LYS 193 193 34781 1 . VAL 194 194 34781 1 . ALA 195 195 34781 1 . PRO 196 196 34781 1 . LYS 197 197 34781 1 . ALA 198 198 34781 1 . THR 199 199 34781 1 . THR 200 200 34781 1 . GLY 201 201 34781 1 . ARG 202 202 34781 1 . ARG 203 203 34781 1 . PHE 204 204 34781 1 . LEU 205 205 34781 1 . LEU 206 206 34781 1 . PHE 207 207 34781 1 stop_ save_ save_entity_AXT _Entity.Sf_category entity _Entity.Sf_framecode entity_AXT _Entity.Entry_ID 34781 _Entity.ID 2 _Entity.BMRB_code AXT _Entity.Name entity_AXT _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 AXT _Entity.Nonpolymer_comp_label $chem_comp_AXT _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 596.838 _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 ASTAXANTHIN BMRB 34781 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID ASTAXANTHIN BMRB 34781 2 AXT 'Three letter code' 34781 2 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 AXT $chem_comp_AXT 34781 2 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 34781 _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 $entity_1 . 2833457 organism . 'Coelastrella astaxanthina' 'green algae' . . Eukaryota Viridiplantae Coelastrella astaxanthina . . . . . . . . . . . astaP . 34781 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 34781 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . . . . . . . . 34781 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AXT _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AXT _Chem_comp.Entry_ID 34781 _Chem_comp.ID AXT _Chem_comp.Provenance PDB _Chem_comp.Name ASTAXANTHIN _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AXT _Chem_comp.PDB_code AXT _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AXT _Chem_comp.Number_atoms_all 96 _Chem_comp.Number_atoms_nh 44 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1 ; _Chem_comp.Mon_nstd_flag no _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 3,3'-DIHYDROXY-BETA,BETA-CAROTENE-4,4'-DIONE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C40 H52 O4' _Chem_comp.Formula_weight 596.838 _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 'not provided' _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1GKA _Chem_comp.Processing_site EBI _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 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)[CH](O)CC2(C)C SMILES CACTVS 3.341 34781 AXT CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C SMILES_CANONICAL CACTVS 3.341 34781 AXT CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C SMILES 'OpenEye OEToolkits' 1.5.0 34781 AXT CC1=C(C(C[C@@H](C1=O)O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C(=O)[C@H](CC2(C)C)O)C)\C)\C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34781 AXT ; InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1 ; InChI InChI 1.03 34781 AXT MQZIGYBFDRPAKN-UWFIBFSHSA-N InChIKey InChI 1.03 34781 AXT O=C2C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C(=O)C(O)CC1(C)C)C)C)C)C)C)C(C)(C)CC2O)C SMILES ACDLabs 10.04 34781 AXT 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 (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione 'SYSTEMATIC NAME' ACDLabs 10.04 34781 AXT ; (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34781 AXT 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 N N . . . . 45.684 . 74.744 . 25.227 . . . . 1 . 34781 AXT C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 46.158 . 74.389 . 26.637 . . . . 2 . 34781 AXT C3 C3 C3 C3 . C . . S 0 . . . 1 N N . . . . 47.309 . 73.415 . 26.609 . . . . 3 . 34781 AXT C4 C4 C4 C4 . C . . N 0 . . . 1 N N . . . . 48.453 . 74.088 . 25.828 . . . . 4 . 34781 AXT C5 C5 C5 C5 . C . . N 0 . . . 1 N N . . . . 48.142 . 74.975 . 24.705 . . . . 5 . 34781 AXT C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 46.847 . 75.290 . 24.356 . . . . 6 . 34781 AXT C7 C7 C7 C7 . C . . N 0 . . . 1 N N . . . . 46.670 . 76.134 . 23.191 . . . . 7 . 34781 AXT C8 C8 C8 C8 . C . . N 0 . . . 1 N N . . . . 45.452 . 76.439 . 22.611 . . . . 8 . 34781 AXT C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . 45.339 . 77.267 . 21.524 . . . . 9 . 34781 AXT C10 C10 C10 C10 . C . . N 0 . . . 1 N N . . . . 44.038 . 77.552 . 21.111 . . . . 10 . 34781 AXT C11 C11 C11 C11 . C . . N 0 . . . 1 N N . . . . 43.660 . 78.421 . 20.051 . . . . 11 . 34781 AXT C12 C12 C12 C12 . C . . N 0 . . . 1 N N . . . . 42.291 . 78.579 . 19.898 . . . . 12 . 34781 AXT C13 C13 C13 C13 . C . . N 0 . . . 1 N N . . . . 41.645 . 79.410 . 18.959 . . . . 13 . 34781 AXT C14 C14 C14 C14 . C . . N 0 . . . 1 N N . . . . 40.235 . 79.446 . 19.035 . . . . 14 . 34781 AXT C15 C15 C15 C15 . C . . N 0 . . . 1 N N . . . . 39.400 . 80.275 . 18.217 . . . . 15 . 34781 AXT C16 C16 C16 C16 . C . . N 0 . . . 1 N N . . . . 44.600 . 75.764 . 25.453 . . . . 16 . 34781 AXT C17 C17 C17 C17 . C . . N 0 . . . 1 N N . . . . 45.057 . 73.508 . 24.618 . . . . 17 . 34781 AXT C18 C18 C18 C18 . C . . N 0 . . . 1 N N . . . . 49.242 . 75.584 . 23.871 . . . . 18 . 34781 AXT C19 C19 C19 C19 . C . . N 0 . . . 1 N N . . . . 46.556 . 77.874 . 20.875 . . . . 19 . 34781 AXT C20 C20 C20 C20 . C . . N 0 . . . 1 N N . . . . 42.404 . 80.265 . 17.944 . . . . 20 . 34781 AXT O3 O3 O3 O3 . O . . N 0 . . . 1 N N . . . . 47.726 . 73.073 . 27.955 . . . . 21 . 34781 AXT O4 O4 O4 O4 . O . . N 0 . . . 1 N N . . . . 49.622 . 73.840 . 26.140 . . . . 22 . 34781 AXT C21 C21 C21 C21 . C . . N 0 . . . 1 N N . . . . 32.088 . 87.486 . 12.660 . . . . 23 . 34781 AXT C22 C22 C22 C22 . C . . N 0 . . . 1 N N . . . . 31.483 . 88.839 . 12.391 . . . . 24 . 34781 AXT C23 C23 C23 C23 . C . . S 0 . . . 1 N N . . . . 30.226 . 88.754 . 11.558 . . . . 25 . 34781 AXT C24 C24 C24 C24 . C . . N 0 . . . 1 N N . . . . 29.257 . 87.969 . 12.246 . . . . 26 . 34781 AXT C25 C25 C25 C25 . C . . N 0 . . . 1 N N . . . . 29.678 . 86.930 . 13.111 . . . . 27 . 34781 AXT C26 C26 C26 C26 . C . . N 0 . . . 1 N N . . . . 31.049 . 86.651 . 13.328 . . . . 28 . 34781 AXT C27 C27 C27 C27 . C . . N 0 . . . 1 N N . . . . 31.348 . 85.568 . 14.170 . . . . 29 . 34781 AXT C28 C28 C28 C28 . C . . N 0 . . . 1 N N . . . . 32.590 . 85.060 . 14.495 . . . . 30 . 34781 AXT C29 C29 C29 C29 . C . . N 0 . . . 1 N N . . . . 32.668 . 83.996 . 15.373 . . . . 31 . 34781 AXT C30 C30 C30 C30 . C . . N 0 . . . 1 N N . . . . 33.883 . 83.528 . 15.700 . . . . 32 . 34781 AXT C31 C31 C31 C31 . C . . N 0 . . . 1 N N . . . . 34.057 . 82.488 . 16.579 . . . . 33 . 34781 AXT C32 C32 C32 C32 . C . . N 0 . . . 1 N N . . . . 35.334 . 82.183 . 16.740 . . . . 34 . 34781 AXT C33 C33 C33 C33 . C . . N 0 . . . 1 N N . . . . 35.824 . 81.230 . 17.582 . . . . 35 . 34781 AXT C34 C34 C34 C34 . C . . N 0 . . . 1 N N . . . . 37.238 . 81.109 . 17.590 . . . . 36 . 34781 AXT C35 C35 C35 C35 . C . . N 0 . . . 1 N N . . . . 38.008 . 80.244 . 18.377 . . . . 37 . 34781 AXT C36 C36 C36 C36 . C . . N 0 . . . 1 N N . . . . 33.278 . 87.793 . 13.508 . . . . 38 . 34781 AXT C37 C37 C37 C37 . C . . N 0 . . . 1 N N . . . . 32.544 . 86.785 . 11.408 . . . . 39 . 34781 AXT C38 C38 C38 C38 . C . . N 0 . . . 1 N N . . . . 28.605 . 86.088 . 13.808 . . . . 40 . 34781 AXT C39 C39 C39 C39 . C . . N 0 . . . 1 N N . . . . 31.414 . 83.386 . 15.953 . . . . 41 . 34781 AXT C40 C40 C40 C40 . C . . N 0 . . . 1 N N . . . . 34.901 . 80.412 . 18.440 . . . . 42 . 34781 AXT O24 O24 O24 O24 . O . . N 0 . . . 1 N N . . . . 28.086 . 88.223 . 12.032 . . . . 43 . 34781 AXT O23 O23 O23 O23 . O . . N 0 . . . 1 N N . . . . 29.663 . 90.032 . 11.375 . . . . 44 . 34781 AXT HC21 HC21 HC21 1HC2 . H . . N 0 . . . 0 N N . . . . 45.319 . 74.009 . 27.265 . . . . 45 . 34781 AXT HC22 HC22 HC22 2HC2 . H . . N 0 . . . 0 N N . . . . 46.413 . 75.303 . 27.223 . . . . 46 . 34781 AXT H3 H3 H3 H3 . H . . N 0 . . . 1 N N . . . . 46.994 . 72.488 . 26.075 . . . . 47 . 34781 AXT H7 H7 H7 H7 . H . . N 0 . . . 1 N N . . . . 47.575 . 76.566 . 22.732 . . . . 48 . 34781 AXT H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 44.536 . 75.999 . 23.040 . . . . 49 . 34781 AXT H10 H10 H10 H10 . H . . N 0 . . . 1 N N . . . . 43.222 . 77.054 . 21.661 . . . . 50 . 34781 AXT H11 H11 H11 H11 . H . . N 0 . . . 1 N N . . . . 44.395 . 78.928 . 19.404 . . . . 51 . 34781 AXT H12 H12 H12 H12 . H . . N 0 . . . 1 N N . . . . 41.644 . 77.998 . 20.577 . . . . 52 . 34781 AXT H14 H14 H14 H14 . H . . N 0 . . . 1 N N . . . . 39.743 . 78.791 . 19.774 . . . . 53 . 34781 AXT H15 H15 H15 H15 . H . . N 0 . . . 1 N N . . . . 39.853 . 80.938 . 17.461 . . . . 54 . 34781 AXT H161 H161 H161 1H16 . H . . N 0 . . . 0 N N . . . . 44.254 . 76.023 . 24.425 . . . . 55 . 34781 AXT H162 H162 H162 2H16 . H . . N 0 . . . 0 N N . . . . 44.916 . 76.641 . 26.065 . . . . 56 . 34781 AXT H163 H163 H163 3H16 . H . . N 0 . . . 0 N N . . . . 43.788 . 75.426 . 26.138 . . . . 57 . 34781 AXT H171 H171 H171 1H17 . H . . N 0 . . . 0 N N . . . . 44.711 . 73.767 . 23.590 . . . . 58 . 34781 AXT H172 H172 H172 2H17 . H . . N 0 . . . 0 N N . . . . 44.245 . 73.080 . 25.251 . . . . 59 . 34781 AXT H173 H173 H173 3H17 . H . . N 0 . . . 0 N N . . . . 45.739 . 72.626 . 24.634 . . . . 60 . 34781 AXT H181 H181 H181 1H18 . H . . N 0 . . . 0 N N . . . . 50.290 . 75.329 . 24.153 . . . . 61 . 34781 AXT H182 H182 H182 2H18 . H . . N 0 . . . 0 N N . . . . 49.122 . 76.692 . 23.848 . . . . 62 . 34781 AXT H183 H183 H183 3H18 . H . . N 0 . . . 0 N N . . . . 49.075 . 75.336 . 22.797 . . . . 63 . 34781 AXT H191 H191 H191 1H19 . H . . N 0 . . . 0 N N . . . . 46.464 . 78.547 . 19.991 . . . . 64 . 34781 AXT H192 H192 H192 2H19 . H . . N 0 . . . 0 N N . . . . 47.253 . 77.046 . 20.607 . . . . 65 . 34781 AXT H193 H193 H193 3H19 . H . . N 0 . . . 0 N N . . . . 47.133 . 78.414 . 21.662 . . . . 66 . 34781 AXT H201 H201 H201 1H20 . H . . N 0 . . . 0 N N . . . . 41.893 . 80.922 . 17.202 . . . . 67 . 34781 AXT H202 H202 H202 2H20 . H . . N 0 . . . 0 N N . . . . 43.083 . 79.586 . 17.377 . . . . 68 . 34781 AXT H203 H203 H203 3H20 . H . . N 0 . . . 0 N N . . . . 43.122 . 80.900 . 18.513 . . . . 69 . 34781 AXT HA HA HA HA . H . . N 0 . . . 1 N N . . . . 48.451 . 72.459 . 27.937 . . . . 70 . 34781 AXT H221 H221 H221 1H22 . H . . N 0 . . . 0 N N . . . . 32.227 . 89.526 . 11.925 . . . . 71 . 34781 AXT H222 H222 H222 2H22 . H . . N 0 . . . 0 N N . . . . 31.298 . 89.392 . 13.341 . . . . 72 . 34781 AXT H23 H23 H23 H23 . H . . N 0 . . . 1 N N . . . . 30.455 . 88.294 . 10.569 . . . . 73 . 34781 AXT H27 H27 H27 H27 . H . . N 0 . . . 1 N N . . . . 30.483 . 85.060 . 14.629 . . . . 74 . 34781 AXT H28 H28 H28 H28 . H . . N 0 . . . 1 N N . . . . 33.505 . 85.496 . 14.061 . . . . 75 . 34781 AXT H30 H30 H30 H30 . H . . N 0 . . . 1 N N . . . . 34.773 . 83.996 . 15.246 . . . . 76 . 34781 AXT H31 H31 H31 H31 . H . . N 0 . . . 1 N N . . . . 33.230 . 81.968 . 17.091 . . . . 77 . 34781 AXT H32 H32 H32 H32 . H . . N 0 . . . 1 N N . . . . 36.066 . 82.749 . 16.140 . . . . 78 . 34781 AXT H34 H34 H34 H34 . H . . N 0 . . . 1 N N . . . . 37.791 . 81.769 . 16.901 . . . . 79 . 34781 AXT H35 H35 H35 H35 . H . . N 0 . . . 1 N N . . . . 37.534 . 79.560 . 19.100 . . . . 80 . 34781 AXT H361 H361 H361 1H36 . H . . N 0 . . . 0 N N . . . . 33.726 . 86.791 . 13.707 . . . . 81 . 34781 AXT H362 H362 H362 2H36 . H . . N 0 . . . 0 N N . . . . 33.050 . 88.386 . 14.424 . . . . 82 . 34781 AXT H363 H363 H363 3H36 . H . . N 0 . . . 0 N N . . . . 33.983 . 88.532 . 13.062 . . . . 83 . 34781 AXT H371 H371 H371 1H37 . H . . N 0 . . . 0 N N . . . . 32.992 . 85.784 . 11.607 . . . . 84 . 34781 AXT H372 H372 H372 2H37 . H . . N 0 . . . 0 N N . . . . 33.247 . 87.426 . 10.826 . . . . 85 . 34781 AXT H373 H373 H373 3H37 . H . . N 0 . . . 0 N N . . . . 31.712 . 86.709 . 10.669 . . . . 86 . 34781 AXT H381 H381 H381 1H38 . H . . N 0 . . . 0 N N . . . . 27.525 . 86.308 . 13.637 . . . . 87 . 34781 AXT H382 H382 H382 2H38 . H . . N 0 . . . 0 N N . . . . 28.799 . 86.108 . 14.906 . . . . 88 . 34781 AXT H383 H383 H383 3H38 . H . . N 0 . . . 0 N N . . . . 28.788 . 85.015 . 13.568 . . . . 89 . 34781 AXT H391 H391 H391 1H39 . H . . N 0 . . . 0 N N . . . . 31.477 . 82.527 . 16.662 . . . . 90 . 34781 AXT H392 H392 H392 2H39 . H . . N 0 . . . 0 N N . . . . 30.745 . 83.094 . 15.110 . . . . 91 . 34781 AXT H393 H393 H393 3H39 . H . . N 0 . . . 0 N N . . . . 30.824 . 84.197 . 16.439 . . . . 92 . 34781 AXT H401 H401 H401 1H40 . H . . N 0 . . . 0 N N . . . . 35.302 . 79.632 . 19.129 . . . . 93 . 34781 AXT H402 H402 H402 2H40 . H . . N 0 . . . 0 N N . . . . 34.144 . 79.933 . 17.777 . . . . 94 . 34781 AXT H403 H403 H403 3H40 . H . . N 0 . . . 0 N N . . . . 34.271 . 81.112 . 19.037 . . . . 95 . 34781 AXT HB HB HB HB . H . . N 0 . . . 1 N N . . . . 28.872 . 89.979 . 10.851 . . . . 96 . 34781 AXT 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 . SING C1 C2 N N 1 . 34781 AXT 2 . SING C1 C6 N N 2 . 34781 AXT 3 . SING C1 C16 N N 3 . 34781 AXT 4 . SING C1 C17 N N 4 . 34781 AXT 5 . SING C2 C3 N N 5 . 34781 AXT 6 . SING C2 HC21 N N 6 . 34781 AXT 7 . SING C2 HC22 N N 7 . 34781 AXT 8 . SING C3 C4 N N 8 . 34781 AXT 9 . SING C3 O3 N N 9 . 34781 AXT 10 . SING C3 H3 N N 10 . 34781 AXT 11 . SING C4 C5 N N 11 . 34781 AXT 12 . DOUB C4 O4 N N 12 . 34781 AXT 13 . DOUB C5 C6 N N 13 . 34781 AXT 14 . SING C5 C18 N N 14 . 34781 AXT 15 . SING C6 C7 N N 15 . 34781 AXT 16 . DOUB C7 C8 N E 16 . 34781 AXT 17 . SING C7 H7 N N 17 . 34781 AXT 18 . SING C8 C9 N N 18 . 34781 AXT 19 . SING C8 H8 N N 19 . 34781 AXT 20 . DOUB C9 C10 N E 20 . 34781 AXT 21 . SING C9 C19 N N 21 . 34781 AXT 22 . SING C10 C11 N N 22 . 34781 AXT 23 . SING C10 H10 N N 23 . 34781 AXT 24 . DOUB C11 C12 N E 24 . 34781 AXT 25 . SING C11 H11 N N 25 . 34781 AXT 26 . SING C12 C13 N N 26 . 34781 AXT 27 . SING C12 H12 N N 27 . 34781 AXT 28 . DOUB C13 C14 N E 28 . 34781 AXT 29 . SING C13 C20 N N 29 . 34781 AXT 30 . SING C14 C15 N N 30 . 34781 AXT 31 . SING C14 H14 N N 31 . 34781 AXT 32 . DOUB C15 C35 N E 32 . 34781 AXT 33 . SING C15 H15 N N 33 . 34781 AXT 34 . SING C16 H161 N N 34 . 34781 AXT 35 . SING C16 H162 N N 35 . 34781 AXT 36 . SING C16 H163 N N 36 . 34781 AXT 37 . SING C17 H171 N N 37 . 34781 AXT 38 . SING C17 H172 N N 38 . 34781 AXT 39 . SING C17 H173 N N 39 . 34781 AXT 40 . SING C18 H181 N N 40 . 34781 AXT 41 . SING C18 H182 N N 41 . 34781 AXT 42 . SING C18 H183 N N 42 . 34781 AXT 43 . SING C19 H191 N N 43 . 34781 AXT 44 . SING C19 H192 N N 44 . 34781 AXT 45 . SING C19 H193 N N 45 . 34781 AXT 46 . SING C20 H201 N N 46 . 34781 AXT 47 . SING C20 H202 N N 47 . 34781 AXT 48 . SING C20 H203 N N 48 . 34781 AXT 49 . SING O3 HA N N 49 . 34781 AXT 50 . SING C21 C22 N N 50 . 34781 AXT 51 . SING C21 C26 N N 51 . 34781 AXT 52 . SING C21 C36 N N 52 . 34781 AXT 53 . SING C21 C37 N N 53 . 34781 AXT 54 . SING C22 C23 N N 54 . 34781 AXT 55 . SING C22 H221 N N 55 . 34781 AXT 56 . SING C22 H222 N N 56 . 34781 AXT 57 . SING C23 C24 N N 57 . 34781 AXT 58 . SING C23 O23 N N 58 . 34781 AXT 59 . SING C23 H23 N N 59 . 34781 AXT 60 . SING C24 C25 N N 60 . 34781 AXT 61 . DOUB C24 O24 N N 61 . 34781 AXT 62 . DOUB C25 C26 N N 62 . 34781 AXT 63 . SING C25 C38 N N 63 . 34781 AXT 64 . SING C26 C27 N N 64 . 34781 AXT 65 . DOUB C27 C28 N E 65 . 34781 AXT 66 . SING C27 H27 N N 66 . 34781 AXT 67 . SING C28 C29 N N 67 . 34781 AXT 68 . SING C28 H28 N N 68 . 34781 AXT 69 . DOUB C29 C30 N E 69 . 34781 AXT 70 . SING C29 C39 N N 70 . 34781 AXT 71 . SING C30 C31 N N 71 . 34781 AXT 72 . SING C30 H30 N N 72 . 34781 AXT 73 . DOUB C31 C32 N E 73 . 34781 AXT 74 . SING C31 H31 N N 74 . 34781 AXT 75 . SING C32 C33 N N 75 . 34781 AXT 76 . SING C32 H32 N N 76 . 34781 AXT 77 . DOUB C33 C34 N E 77 . 34781 AXT 78 . SING C33 C40 N N 78 . 34781 AXT 79 . SING C34 C35 N N 79 . 34781 AXT 80 . SING C34 H34 N N 80 . 34781 AXT 81 . SING C35 H35 N N 81 . 34781 AXT 82 . SING C36 H361 N N 82 . 34781 AXT 83 . SING C36 H362 N N 83 . 34781 AXT 84 . SING C36 H363 N N 84 . 34781 AXT 85 . SING C37 H371 N N 85 . 34781 AXT 86 . SING C37 H372 N N 86 . 34781 AXT 87 . SING C37 H373 N N 87 . 34781 AXT 88 . SING C38 H381 N N 88 . 34781 AXT 89 . SING C38 H382 N N 89 . 34781 AXT 90 . SING C38 H383 N N 90 . 34781 AXT 91 . SING C39 H391 N N 91 . 34781 AXT 92 . SING C39 H392 N N 92 . 34781 AXT 93 . SING C39 H393 N N 93 . 34781 AXT 94 . SING C40 H401 N N 94 . 34781 AXT 95 . SING C40 H402 N N 95 . 34781 AXT 96 . SING C40 H403 N N 96 . 34781 AXT 97 . SING O23 HB N N 97 . 34781 AXT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34781 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 150 mM sodium chloride, 50 mM TRIS, 0.02 % w/v sodium azide, 250 uM [U-100% 13C; U-100% 15N] AstaPo1, 250 uM Astaxanthin, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34781 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 34781 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 34781 1 4 AstaPo1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 250 . . uM 50 . . . 34781 1 5 Astaxanthin 'natural abundance' . . 2 $entity_AXT . . 250 . . uM 50 . . . 34781 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34781 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 34781 1 pH 7.0 . pH 34781 1 pressure 1 . atm 34781 1 temperature 298 . K 34781 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34781 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 34781 2 pH 7.0 . pH 34781 2 pressure 1 . atm 34781 2 temperature 313 . K 34781 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34781 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34781 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34781 1 'structure calculation' . 34781 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34781 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34781 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34781 2 'peak picking' . 34781 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34781 _Software.ID 3 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Mayzel, Kazimierczuk, Orekhov' . . 34781 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34781 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34781 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34781 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34781 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34781 _Software.ID 5 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Bax' . . 34781 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34781 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34781 _Software.ID 6 _Software.Type . _Software.Name MOLMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 34781 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34781 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 34781 _Software.ID 7 _Software.Type . _Software.Name PyMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schrodinger, Inc.' . . 34781 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34781 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34781 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34781 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34781 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34781 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34781 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34781 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 2 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 4 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 8 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 14 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 15 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 17 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 18 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 20 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34781 1 21 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 23 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 24 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 25 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 26 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 27 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 28 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34781 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34781 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbons' . . . . ppm 2.700 internal direct 0.251449530 . . . . . 34781 1 H 1 TSP 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34781 1 N 15 TSP 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34781 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34781 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34781 1 2 '3D HN(CO)CA' . . . 34781 1 3 '3D CBCA(CO)NH' . . . 34781 1 4 '3D HNHB' . . . 34781 1 5 '3D HNCO' . . . 34781 1 6 '3D 1H-15N NOESY' . . . 34781 1 7 '3D 1H-13C NOESY' . . . 34781 1 8 '3D HN(CA)CO' . . . 34781 1 9 '3D HNCACB' . . . 34781 1 10 '3D HCCH-TOCSY' . . . 34781 1 11 '3D 1H-13C NOESY' . . . 34781 1 12 '3D HCCH-TOCSY' . . . 34781 1 13 '3D 1H-15N NOESY' . . . 34781 1 14 '3D HNCO' . . . 34781 1 15 '2D 1H-13C HSQC aliphatic' . . . 34781 1 16 '2D 1H-15N HSQC' . . . 34781 1 17 '2D 1H-13C HSQC aromatic' . . . 34781 1 18 '2D 1H-13C HSQC aliphatic' . . . 34781 1 19 '2D 1H-15N HSQC' . . . 34781 1 20 '2D 1H-13C HSQC aromatic' . . . 34781 1 21 '2D 1H-13C HSQC aromatic' . . . 34781 1 22 '2D 1H-15N HSQC' . . . 34781 1 23 '2D 1H-13C HSQC aliphatic' . . . 34781 1 24 '2D 1H-13C HSQC aromatic' . . . 34781 1 25 '2D 1H-15N HSQC' . . . 34781 1 26 '2D 1H-13C HSQC aliphatic' . . . 34781 1 27 '3D HCCH-COSY' . . . 34781 1 28 '3D HCCH-COSY' . . . 34781 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 4.012 0.020 . 2 . . . . A 17 GLY HA2 . 34781 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.012 0.020 . 2 . . . . A 17 GLY HA3 . 34781 1 3 . 1 . 1 1 1 GLY CA C 13 45.476 0.400 . 1 . . . . A 17 GLY CA . 34781 1 4 . 1 . 1 3 3 HIS HA H 1 4.649 0.020 . 1 . . . . A 19 HIS HA . 34781 1 5 . 1 . 1 3 3 HIS HB2 H 1 3.155 0.020 . 2 . . . . A 19 HIS HB2 . 34781 1 6 . 1 . 1 3 3 HIS HB3 H 1 3.155 0.020 . 2 . . . . A 19 HIS HB3 . 34781 1 7 . 1 . 1 3 3 HIS HD2 H 1 7.100 0.020 . 1 . . . . A 19 HIS HD2 . 34781 1 8 . 1 . 1 3 3 HIS HE1 H 1 7.989 0.020 . 1 . . . . A 19 HIS HE1 . 34781 1 9 . 1 . 1 3 3 HIS CA C 13 56.428 0.400 . 1 . . . . A 19 HIS CA . 34781 1 10 . 1 . 1 3 3 HIS CB C 13 30.643 0.400 . 1 . . . . A 19 HIS CB . 34781 1 11 . 1 . 1 3 3 HIS CD2 C 13 120.227 0.400 . 1 . . . . A 19 HIS CD2 . 34781 1 12 . 1 . 1 3 3 HIS CE1 C 13 138.590 0.400 . 1 . . . . A 19 HIS CE1 . 34781 1 13 . 1 . 1 4 4 MET HA H 1 4.487 0.020 . 1 . . . . A 20 MET HA . 34781 1 14 . 1 . 1 4 4 MET HB2 H 1 2.081 0.020 . 2 . . . . A 20 MET HB2 . 34781 1 15 . 1 . 1 4 4 MET HB3 H 1 1.987 0.020 . 2 . . . . A 20 MET HB3 . 34781 1 16 . 1 . 1 4 4 MET HG2 H 1 2.564 0.020 . 2 . . . . A 20 MET HG2 . 34781 1 17 . 1 . 1 4 4 MET HG3 H 1 2.518 0.020 . 2 . . . . A 20 MET HG3 . 34781 1 18 . 1 . 1 4 4 MET C C 13 175.362 0.400 . 1 . . . . A 20 MET C . 34781 1 19 . 1 . 1 4 4 MET CA C 13 55.361 0.400 . 1 . . . . A 20 MET CA . 34781 1 20 . 1 . 1 4 4 MET CB C 13 33.385 0.400 . 1 . . . . A 20 MET CB . 34781 1 21 . 1 . 1 4 4 MET CG C 13 31.998 0.400 . 1 . . . . A 20 MET CG . 34781 1 22 . 1 . 1 5 5 ALA HA H 1 4.381 0.020 . 1 . . . . A 21 ALA HA . 34781 1 23 . 1 . 1 5 5 ALA HB1 H 1 1.401 0.020 . 1 . . . . A 21 ALA HB1 . 34781 1 24 . 1 . 1 5 5 ALA HB2 H 1 1.401 0.020 . 1 . . . . A 21 ALA HB2 . 34781 1 25 . 1 . 1 5 5 ALA HB3 H 1 1.401 0.020 . 1 . . . . A 21 ALA HB3 . 34781 1 26 . 1 . 1 5 5 ALA C C 13 177.445 0.400 . 1 . . . . A 21 ALA C . 34781 1 27 . 1 . 1 5 5 ALA CA C 13 52.195 0.400 . 1 . . . . A 21 ALA CA . 34781 1 28 . 1 . 1 5 5 ALA CB C 13 19.253 0.400 . 1 . . . . A 21 ALA CB . 34781 1 29 . 1 . 1 6 6 THR HA H 1 4.609 0.020 . 1 . . . . A 22 THR HA . 34781 1 30 . 1 . 1 6 6 THR HB H 1 4.191 0.020 . 1 . . . . A 22 THR HB . 34781 1 31 . 1 . 1 6 6 THR HG21 H 1 1.283 0.020 . 1 . . . . A 22 THR HG21 . 34781 1 32 . 1 . 1 6 6 THR HG22 H 1 1.283 0.020 . 1 . . . . A 22 THR HG22 . 34781 1 33 . 1 . 1 6 6 THR HG23 H 1 1.283 0.020 . 1 . . . . A 22 THR HG23 . 34781 1 34 . 1 . 1 6 6 THR C C 13 172.898 0.400 . 1 . . . . A 22 THR C . 34781 1 35 . 1 . 1 6 6 THR CA C 13 59.887 0.400 . 1 . . . . A 22 THR CA . 34781 1 36 . 1 . 1 6 6 THR CB C 13 69.865 0.400 . 1 . . . . A 22 THR CB . 34781 1 37 . 1 . 1 6 6 THR CG2 C 13 21.783 0.400 . 1 . . . . A 22 THR CG2 . 34781 1 38 . 1 . 1 7 7 PRO HA H 1 4.455 0.020 . 1 . . . . A 23 PRO HA . 34781 1 39 . 1 . 1 7 7 PRO HB2 H 1 2.333 0.020 . 2 . . . . A 23 PRO HB2 . 34781 1 40 . 1 . 1 7 7 PRO HB3 H 1 1.944 0.020 . 2 . . . . A 23 PRO HB3 . 34781 1 41 . 1 . 1 7 7 PRO HG2 H 1 2.064 0.020 . 2 . . . . A 23 PRO HG2 . 34781 1 42 . 1 . 1 7 7 PRO HG3 H 1 2.064 0.020 . 2 . . . . A 23 PRO HG3 . 34781 1 43 . 1 . 1 7 7 PRO HD2 H 1 3.874 0.020 . 2 . . . . A 23 PRO HD2 . 34781 1 44 . 1 . 1 7 7 PRO HD3 H 1 3.743 0.020 . 2 . . . . A 23 PRO HD3 . 34781 1 45 . 1 . 1 7 7 PRO C C 13 176.890 0.400 . 1 . . . . A 23 PRO C . 34781 1 46 . 1 . 1 7 7 PRO CA C 13 63.440 0.400 . 1 . . . . A 23 PRO CA . 34781 1 47 . 1 . 1 7 7 PRO CB C 13 32.287 0.400 . 1 . . . . A 23 PRO CB . 34781 1 48 . 1 . 1 7 7 PRO CG C 13 27.535 0.400 . 1 . . . . A 23 PRO CG . 34781 1 49 . 1 . 1 7 7 PRO CD C 13 51.250 0.400 . 1 . . . . A 23 PRO CD . 34781 1 50 . 1 . 1 8 8 LYS H H 1 8.271 0.020 . 1 . . . . A 24 LYS H . 34781 1 51 . 1 . 1 8 8 LYS HA H 1 4.326 0.020 . 1 . . . . A 24 LYS HA . 34781 1 52 . 1 . 1 8 8 LYS HB2 H 1 1.868 0.020 . 2 . . . . A 24 LYS HB2 . 34781 1 53 . 1 . 1 8 8 LYS HB3 H 1 1.797 0.020 . 2 . . . . A 24 LYS HB3 . 34781 1 54 . 1 . 1 8 8 LYS HE2 H 1 3.050 0.020 . 2 . . . . A 24 LYS HE2 . 34781 1 55 . 1 . 1 8 8 LYS HE3 H 1 3.050 0.020 . 2 . . . . A 24 LYS HE3 . 34781 1 56 . 1 . 1 8 8 LYS C C 13 176.468 0.400 . 1 . . . . A 24 LYS C . 34781 1 57 . 1 . 1 8 8 LYS CA C 13 56.425 0.400 . 1 . . . . A 24 LYS CA . 34781 1 58 . 1 . 1 8 8 LYS CB C 13 33.233 0.400 . 1 . . . . A 24 LYS CB . 34781 1 59 . 1 . 1 8 8 LYS CE C 13 42.342 0.400 . 1 . . . . A 24 LYS CE . 34781 1 60 . 1 . 1 8 8 LYS N N 15 121.370 0.400 . 1 . . . . A 24 LYS N . 34781 1 61 . 1 . 1 9 9 ALA HA H 1 4.303 0.020 . 1 . . . . A 25 ALA HA . 34781 1 62 . 1 . 1 9 9 ALA HB1 H 1 1.402 0.020 . 1 . . . . A 25 ALA HB1 . 34781 1 63 . 1 . 1 9 9 ALA HB2 H 1 1.402 0.020 . 1 . . . . A 25 ALA HB2 . 34781 1 64 . 1 . 1 9 9 ALA HB3 H 1 1.402 0.020 . 1 . . . . A 25 ALA HB3 . 34781 1 65 . 1 . 1 9 9 ALA C C 13 177.455 0.400 . 1 . . . . A 25 ALA C . 34781 1 66 . 1 . 1 9 9 ALA CA C 13 52.830 0.400 . 1 . . . . A 25 ALA CA . 34781 1 67 . 1 . 1 9 9 ALA CB C 13 19.215 0.400 . 1 . . . . A 25 ALA CB . 34781 1 68 . 1 . 1 10 10 ASN HA H 1 4.706 0.020 . 1 . . . . A 26 ASN HA . 34781 1 69 . 1 . 1 10 10 ASN HB2 H 1 2.866 0.020 . 2 . . . . A 26 ASN HB2 . 34781 1 70 . 1 . 1 10 10 ASN HB3 H 1 2.808 0.020 . 2 . . . . A 26 ASN HB3 . 34781 1 71 . 1 . 1 10 10 ASN C C 13 175.003 0.400 . 1 . . . . A 26 ASN C . 34781 1 72 . 1 . 1 10 10 ASN CA C 13 53.346 0.400 . 1 . . . . A 26 ASN CA . 34781 1 73 . 1 . 1 10 10 ASN CB C 13 39.115 0.400 . 1 . . . . A 26 ASN CB . 34781 1 74 . 1 . 1 11 11 ALA HA H 1 4.429 0.020 . 1 . . . . A 27 ALA HA . 34781 1 75 . 1 . 1 11 11 ALA HB1 H 1 1.453 0.020 . 1 . . . . A 27 ALA HB1 . 34781 1 76 . 1 . 1 11 11 ALA HB2 H 1 1.453 0.020 . 1 . . . . A 27 ALA HB2 . 34781 1 77 . 1 . 1 11 11 ALA HB3 H 1 1.453 0.020 . 1 . . . . A 27 ALA HB3 . 34781 1 78 . 1 . 1 11 11 ALA C C 13 177.927 0.400 . 1 . . . . A 27 ALA C . 34781 1 79 . 1 . 1 11 11 ALA CA C 13 52.917 0.400 . 1 . . . . A 27 ALA CA . 34781 1 80 . 1 . 1 11 11 ALA CB C 13 19.559 0.400 . 1 . . . . A 27 ALA CB . 34781 1 81 . 1 . 1 12 12 THR HA H 1 4.424 0.020 . 1 . . . . A 28 THR HA . 34781 1 82 . 1 . 1 12 12 THR HB H 1 4.289 0.020 . 1 . . . . A 28 THR HB . 34781 1 83 . 1 . 1 12 12 THR HG21 H 1 1.246 0.020 . 1 . . . . A 28 THR HG21 . 34781 1 84 . 1 . 1 12 12 THR HG22 H 1 1.246 0.020 . 1 . . . . A 28 THR HG22 . 34781 1 85 . 1 . 1 12 12 THR HG23 H 1 1.246 0.020 . 1 . . . . A 28 THR HG23 . 34781 1 86 . 1 . 1 12 12 THR C C 13 174.695 0.400 . 1 . . . . A 28 THR C . 34781 1 87 . 1 . 1 12 12 THR CA C 13 62.084 0.400 . 1 . . . . A 28 THR CA . 34781 1 88 . 1 . 1 12 12 THR CB C 13 70.007 0.400 . 1 . . . . A 28 THR CB . 34781 1 89 . 1 . 1 12 12 THR CG2 C 13 21.668 0.400 . 1 . . . . A 28 THR CG2 . 34781 1 90 . 1 . 1 13 13 THR HA H 1 4.513 0.020 . 1 . . . . A 29 THR HA . 34781 1 91 . 1 . 1 13 13 THR HB H 1 4.340 0.020 . 1 . . . . A 29 THR HB . 34781 1 92 . 1 . 1 13 13 THR HG21 H 1 1.266 0.020 . 1 . . . . A 29 THR HG21 . 34781 1 93 . 1 . 1 13 13 THR HG22 H 1 1.266 0.020 . 1 . . . . A 29 THR HG22 . 34781 1 94 . 1 . 1 13 13 THR HG23 H 1 1.266 0.020 . 1 . . . . A 29 THR HG23 . 34781 1 95 . 1 . 1 13 13 THR C C 13 174.095 0.400 . 1 . . . . A 29 THR C . 34781 1 96 . 1 . 1 13 13 THR CA C 13 61.915 0.400 . 1 . . . . A 29 THR CA . 34781 1 97 . 1 . 1 13 13 THR CB C 13 70.035 0.400 . 1 . . . . A 29 THR CB . 34781 1 98 . 1 . 1 13 13 THR CG2 C 13 21.696 0.400 . 1 . . . . A 29 THR CG2 . 34781 1 99 . 1 . 1 14 14 ALA H H 1 8.191 0.020 . 1 . . . . A 30 ALA H . 34781 1 100 . 1 . 1 14 14 ALA HA H 1 4.368 0.020 . 1 . . . . A 30 ALA HA . 34781 1 101 . 1 . 1 14 14 ALA HB1 H 1 1.406 0.020 . 1 . . . . A 30 ALA HB1 . 34781 1 102 . 1 . 1 14 14 ALA HB2 H 1 1.406 0.020 . 1 . . . . A 30 ALA HB2 . 34781 1 103 . 1 . 1 14 14 ALA HB3 H 1 1.406 0.020 . 1 . . . . A 30 ALA HB3 . 34781 1 104 . 1 . 1 14 14 ALA C C 13 177.266 0.400 . 1 . . . . A 30 ALA C . 34781 1 105 . 1 . 1 14 14 ALA CA C 13 52.496 0.400 . 1 . . . . A 30 ALA CA . 34781 1 106 . 1 . 1 14 14 ALA CB C 13 19.562 0.400 . 1 . . . . A 30 ALA CB . 34781 1 107 . 1 . 1 14 14 ALA N N 15 126.712 0.400 . 1 . . . . A 30 ALA N . 34781 1 108 . 1 . 1 15 15 LYS H H 1 8.200 0.020 . 1 . . . . A 31 LYS H . 34781 1 109 . 1 . 1 15 15 LYS HA H 1 4.635 0.020 . 1 . . . . A 31 LYS HA . 34781 1 110 . 1 . 1 15 15 LYS HB2 H 1 1.850 0.020 . 2 . . . . A 31 LYS HB2 . 34781 1 111 . 1 . 1 15 15 LYS HB3 H 1 1.752 0.020 . 2 . . . . A 31 LYS HB3 . 34781 1 112 . 1 . 1 15 15 LYS HG2 H 1 1.502 0.020 . 2 . . . . A 31 LYS HG2 . 34781 1 113 . 1 . 1 15 15 LYS HG3 H 1 1.401 0.020 . 2 . . . . A 31 LYS HG3 . 34781 1 114 . 1 . 1 15 15 LYS HD2 H 1 1.739 0.020 . 2 . . . . A 31 LYS HD2 . 34781 1 115 . 1 . 1 15 15 LYS HD3 H 1 1.739 0.020 . 2 . . . . A 31 LYS HD3 . 34781 1 116 . 1 . 1 15 15 LYS HE2 H 1 3.057 0.020 . 2 . . . . A 31 LYS HE2 . 34781 1 117 . 1 . 1 15 15 LYS HE3 H 1 3.057 0.020 . 2 . . . . A 31 LYS HE3 . 34781 1 118 . 1 . 1 15 15 LYS C C 13 174.485 0.400 . 1 . . . . A 31 LYS C . 34781 1 119 . 1 . 1 15 15 LYS CA C 13 54.258 0.400 . 1 . . . . A 31 LYS CA . 34781 1 120 . 1 . 1 15 15 LYS CB C 13 32.579 0.400 . 1 . . . . A 31 LYS CB . 34781 1 121 . 1 . 1 15 15 LYS CG C 13 24.501 0.400 . 1 . . . . A 31 LYS CG . 34781 1 122 . 1 . 1 15 15 LYS CD C 13 29.136 0.400 . 1 . . . . A 31 LYS CD . 34781 1 123 . 1 . 1 15 15 LYS N N 15 122.074 0.400 . 1 . . . . A 31 LYS N . 34781 1 124 . 1 . 1 16 16 PRO HA H 1 4.491 0.020 . 1 . . . . A 32 PRO HA . 34781 1 125 . 1 . 1 16 16 PRO HB2 H 1 2.299 0.020 . 2 . . . . A 32 PRO HB2 . 34781 1 126 . 1 . 1 16 16 PRO HB3 H 1 1.889 0.020 . 2 . . . . A 32 PRO HB3 . 34781 1 127 . 1 . 1 16 16 PRO HG2 H 1 2.037 0.020 . 2 . . . . A 32 PRO HG2 . 34781 1 128 . 1 . 1 16 16 PRO HG3 H 1 1.964 0.020 . 2 . . . . A 32 PRO HG3 . 34781 1 129 . 1 . 1 16 16 PRO HD2 H 1 3.600 0.020 . 2 . . . . A 32 PRO HD2 . 34781 1 130 . 1 . 1 16 16 PRO HD3 H 1 3.600 0.020 . 2 . . . . A 32 PRO HD3 . 34781 1 131 . 1 . 1 16 16 PRO C C 13 176.675 0.400 . 1 . . . . A 32 PRO C . 34781 1 132 . 1 . 1 16 16 PRO CA C 13 63.262 0.400 . 1 . . . . A 32 PRO CA . 34781 1 133 . 1 . 1 16 16 PRO CB C 13 32.371 0.400 . 1 . . . . A 32 PRO CB . 34781 1 134 . 1 . 1 16 16 PRO CG C 13 27.058 0.400 . 1 . . . . A 32 PRO CG . 34781 1 135 . 1 . 1 16 16 PRO CD C 13 49.804 0.400 . 1 . . . . A 32 PRO CD . 34781 1 136 . 1 . 1 17 17 ALA H H 1 8.391 0.020 . 1 . . . . A 33 ALA H . 34781 1 137 . 1 . 1 17 17 ALA HA H 1 4.444 0.020 . 1 . . . . A 33 ALA HA . 34781 1 138 . 1 . 1 17 17 ALA HB1 H 1 1.445 0.020 . 1 . . . . A 33 ALA HB1 . 34781 1 139 . 1 . 1 17 17 ALA HB2 H 1 1.445 0.020 . 1 . . . . A 33 ALA HB2 . 34781 1 140 . 1 . 1 17 17 ALA HB3 H 1 1.445 0.020 . 1 . . . . A 33 ALA HB3 . 34781 1 141 . 1 . 1 17 17 ALA C C 13 177.898 0.400 . 1 . . . . A 33 ALA C . 34781 1 142 . 1 . 1 17 17 ALA CA C 13 52.653 0.400 . 1 . . . . A 33 ALA CA . 34781 1 143 . 1 . 1 17 17 ALA CB C 13 19.600 0.400 . 1 . . . . A 33 ALA CB . 34781 1 144 . 1 . 1 17 17 ALA N N 15 124.534 0.400 . 1 . . . . A 33 ALA N . 34781 1 145 . 1 . 1 18 18 SER HA H 1 4.580 0.020 . 1 . . . . A 34 SER HA . 34781 1 146 . 1 . 1 18 18 SER HB2 H 1 3.928 0.020 . 2 . . . . A 34 SER HB2 . 34781 1 147 . 1 . 1 18 18 SER HB3 H 1 3.928 0.020 . 2 . . . . A 34 SER HB3 . 34781 1 148 . 1 . 1 18 18 SER C C 13 174.156 0.400 . 1 . . . . A 34 SER C . 34781 1 149 . 1 . 1 18 18 SER CA C 13 58.324 0.400 . 1 . . . . A 34 SER CA . 34781 1 150 . 1 . 1 18 18 SER CB C 13 64.157 0.400 . 1 . . . . A 34 SER CB . 34781 1 151 . 1 . 1 19 19 THR HA H 1 4.583 0.020 . 1 . . . . A 35 THR HA . 34781 1 152 . 1 . 1 19 19 THR HB H 1 4.310 0.020 . 1 . . . . A 35 THR HB . 34781 1 153 . 1 . 1 19 19 THR HG1 H 1 4.634 0.020 . 1 . . . . A 35 THR HG1 . 34781 1 154 . 1 . 1 19 19 THR HG21 H 1 1.355 0.020 . 1 . . . . A 35 THR HG21 . 34781 1 155 . 1 . 1 19 19 THR HG22 H 1 1.355 0.020 . 1 . . . . A 35 THR HG22 . 34781 1 156 . 1 . 1 19 19 THR HG23 H 1 1.355 0.020 . 1 . . . . A 35 THR HG23 . 34781 1 157 . 1 . 1 19 19 THR CA C 13 60.385 0.400 . 1 . . . . A 35 THR CA . 34781 1 158 . 1 . 1 19 19 THR CB C 13 69.936 0.400 . 1 . . . . A 35 THR CB . 34781 1 159 . 1 . 1 19 19 THR CG2 C 13 22.481 0.400 . 1 . . . . A 35 THR CG2 . 34781 1 160 . 1 . 1 23 23 PRO HA H 1 4.338 0.020 . 1 . . . . A 39 PRO HA . 34781 1 161 . 1 . 1 23 23 PRO HB2 H 1 2.172 0.020 . 2 . . . . A 39 PRO HB2 . 34781 1 162 . 1 . 1 23 23 PRO HB3 H 1 1.644 0.020 . 2 . . . . A 39 PRO HB3 . 34781 1 163 . 1 . 1 23 23 PRO HG2 H 1 1.999 0.020 . 2 . . . . A 39 PRO HG2 . 34781 1 164 . 1 . 1 23 23 PRO HG3 H 1 1.999 0.020 . 2 . . . . A 39 PRO HG3 . 34781 1 165 . 1 . 1 23 23 PRO HD2 H 1 3.963 0.020 . 2 . . . . A 39 PRO HD2 . 34781 1 166 . 1 . 1 23 23 PRO HD3 H 1 3.588 0.020 . 2 . . . . A 39 PRO HD3 . 34781 1 167 . 1 . 1 23 23 PRO C C 13 174.749 0.400 . 1 . . . . A 39 PRO C . 34781 1 168 . 1 . 1 23 23 PRO CA C 13 63.317 0.400 . 1 . . . . A 39 PRO CA . 34781 1 169 . 1 . 1 23 23 PRO CB C 13 32.397 0.400 . 1 . . . . A 39 PRO CB . 34781 1 170 . 1 . 1 23 23 PRO CG C 13 27.759 0.400 . 1 . . . . A 39 PRO CG . 34781 1 171 . 1 . 1 23 23 PRO CD C 13 51.149 0.400 . 1 . . . . A 39 PRO CD . 34781 1 172 . 1 . 1 24 24 VAL H H 1 7.603 0.020 . 1 . . . . A 40 VAL H . 34781 1 173 . 1 . 1 24 24 VAL HA H 1 4.327 0.020 . 1 . . . . A 40 VAL HA . 34781 1 174 . 1 . 1 24 24 VAL HB H 1 1.894 0.020 . 1 . . . . A 40 VAL HB . 34781 1 175 . 1 . 1 24 24 VAL HG11 H 1 0.961 0.020 . 2 . . . . A 40 VAL HG11 . 34781 1 176 . 1 . 1 24 24 VAL HG12 H 1 0.961 0.020 . 2 . . . . A 40 VAL HG12 . 34781 1 177 . 1 . 1 24 24 VAL HG13 H 1 0.961 0.020 . 2 . . . . A 40 VAL HG13 . 34781 1 178 . 1 . 1 24 24 VAL HG21 H 1 0.856 0.020 . 2 . . . . A 40 VAL HG21 . 34781 1 179 . 1 . 1 24 24 VAL HG22 H 1 0.856 0.020 . 2 . . . . A 40 VAL HG22 . 34781 1 180 . 1 . 1 24 24 VAL HG23 H 1 0.856 0.020 . 2 . . . . A 40 VAL HG23 . 34781 1 181 . 1 . 1 24 24 VAL C C 13 174.858 0.400 . 1 . . . . A 40 VAL C . 34781 1 182 . 1 . 1 24 24 VAL CA C 13 61.358 0.400 . 1 . . . . A 40 VAL CA . 34781 1 183 . 1 . 1 24 24 VAL CB C 13 34.740 0.400 . 1 . . . . A 40 VAL CB . 34781 1 184 . 1 . 1 24 24 VAL CG1 C 13 20.977 0.400 . 2 . . . . A 40 VAL CG1 . 34781 1 185 . 1 . 1 24 24 VAL CG2 C 13 21.405 0.400 . 2 . . . . A 40 VAL CG2 . 34781 1 186 . 1 . 1 24 24 VAL N N 15 118.421 0.400 . 1 . . . . A 40 VAL N . 34781 1 187 . 1 . 1 25 25 TYR H H 1 8.555 0.020 . 1 . . . . A 41 TYR H . 34781 1 188 . 1 . 1 25 25 TYR HA H 1 4.827 0.020 . 1 . . . . A 41 TYR HA . 34781 1 189 . 1 . 1 25 25 TYR HB2 H 1 3.068 0.020 . 2 . . . . A 41 TYR HB2 . 34781 1 190 . 1 . 1 25 25 TYR HB3 H 1 3.068 0.020 . 2 . . . . A 41 TYR HB3 . 34781 1 191 . 1 . 1 25 25 TYR HD1 H 1 7.091 0.020 . 1 . . . . A 41 TYR HD1 . 34781 1 192 . 1 . 1 25 25 TYR HD2 H 1 7.091 0.020 . 1 . . . . A 41 TYR HD2 . 34781 1 193 . 1 . 1 25 25 TYR HE1 H 1 6.609 0.020 . 1 . . . . A 41 TYR HE1 . 34781 1 194 . 1 . 1 25 25 TYR HE2 H 1 6.609 0.020 . 1 . . . . A 41 TYR HE2 . 34781 1 195 . 1 . 1 25 25 TYR CA C 13 57.284 0.400 . 1 . . . . A 41 TYR CA . 34781 1 196 . 1 . 1 25 25 TYR CB C 13 40.516 0.400 . 1 . . . . A 41 TYR CB . 34781 1 197 . 1 . 1 25 25 TYR CD1 C 13 133.155 0.400 . 3 . . . . A 41 TYR CD1 . 34781 1 198 . 1 . 1 25 25 TYR CE1 C 13 118.514 0.400 . 3 . . . . A 41 TYR CE1 . 34781 1 199 . 1 . 1 25 25 TYR N N 15 124.828 0.400 . 1 . . . . A 41 TYR N . 34781 1 200 . 1 . 1 26 26 ALA HA H 1 4.132 0.020 . 1 . . . . A 42 ALA HA . 34781 1 201 . 1 . 1 26 26 ALA HB1 H 1 1.604 0.020 . 1 . . . . A 42 ALA HB1 . 34781 1 202 . 1 . 1 26 26 ALA HB2 H 1 1.604 0.020 . 1 . . . . A 42 ALA HB2 . 34781 1 203 . 1 . 1 26 26 ALA HB3 H 1 1.604 0.020 . 1 . . . . A 42 ALA HB3 . 34781 1 204 . 1 . 1 26 26 ALA C C 13 177.669 0.400 . 1 . . . . A 42 ALA C . 34781 1 205 . 1 . 1 26 26 ALA CA C 13 55.129 0.400 . 1 . . . . A 42 ALA CA . 34781 1 206 . 1 . 1 26 26 ALA CB C 13 19.445 0.400 . 1 . . . . A 42 ALA CB . 34781 1 207 . 1 . 1 27 27 THR H H 1 7.286 0.020 . 1 . . . . A 43 THR H . 34781 1 208 . 1 . 1 27 27 THR HA H 1 4.650 0.020 . 1 . . . . A 43 THR HA . 34781 1 209 . 1 . 1 27 27 THR HB H 1 4.585 0.020 . 1 . . . . A 43 THR HB . 34781 1 210 . 1 . 1 27 27 THR HG21 H 1 1.262 0.020 . 1 . . . . A 43 THR HG21 . 34781 1 211 . 1 . 1 27 27 THR HG22 H 1 1.262 0.020 . 1 . . . . A 43 THR HG22 . 34781 1 212 . 1 . 1 27 27 THR HG23 H 1 1.262 0.020 . 1 . . . . A 43 THR HG23 . 34781 1 213 . 1 . 1 27 27 THR C C 13 174.383 0.400 . 1 . . . . A 43 THR C . 34781 1 214 . 1 . 1 27 27 THR CA C 13 58.019 0.400 . 1 . . . . A 43 THR CA . 34781 1 215 . 1 . 1 27 27 THR CB C 13 72.851 0.400 . 1 . . . . A 43 THR CB . 34781 1 216 . 1 . 1 27 27 THR CG2 C 13 21.899 0.400 . 1 . . . . A 43 THR CG2 . 34781 1 217 . 1 . 1 27 27 THR N N 15 101.228 0.400 . 1 . . . . A 43 THR N . 34781 1 218 . 1 . 1 28 28 LEU H H 1 9.167 0.020 . 1 . . . . A 44 LEU H . 34781 1 219 . 1 . 1 28 28 LEU HA H 1 3.958 0.020 . 1 . . . . A 44 LEU HA . 34781 1 220 . 1 . 1 28 28 LEU HB2 H 1 1.686 0.020 . 2 . . . . A 44 LEU HB2 . 34781 1 221 . 1 . 1 28 28 LEU HB3 H 1 1.624 0.020 . 2 . . . . A 44 LEU HB3 . 34781 1 222 . 1 . 1 28 28 LEU HG H 1 1.539 0.020 . 1 . . . . A 44 LEU HG . 34781 1 223 . 1 . 1 28 28 LEU HD11 H 1 0.881 0.020 . 2 . . . . A 44 LEU HD11 . 34781 1 224 . 1 . 1 28 28 LEU HD12 H 1 0.881 0.020 . 2 . . . . A 44 LEU HD12 . 34781 1 225 . 1 . 1 28 28 LEU HD13 H 1 0.881 0.020 . 2 . . . . A 44 LEU HD13 . 34781 1 226 . 1 . 1 28 28 LEU HD21 H 1 0.829 0.020 . 2 . . . . A 44 LEU HD21 . 34781 1 227 . 1 . 1 28 28 LEU HD22 H 1 0.829 0.020 . 2 . . . . A 44 LEU HD22 . 34781 1 228 . 1 . 1 28 28 LEU HD23 H 1 0.829 0.020 . 2 . . . . A 44 LEU HD23 . 34781 1 229 . 1 . 1 28 28 LEU C C 13 178.704 0.400 . 1 . . . . A 44 LEU C . 34781 1 230 . 1 . 1 28 28 LEU CA C 13 58.137 0.400 . 1 . . . . A 44 LEU CA . 34781 1 231 . 1 . 1 28 28 LEU CB C 13 41.267 0.400 . 1 . . . . A 44 LEU CB . 34781 1 232 . 1 . 1 28 28 LEU CG C 13 27.404 0.400 . 1 . . . . A 44 LEU CG . 34781 1 233 . 1 . 1 28 28 LEU CD1 C 13 23.504 0.400 . 2 . . . . A 44 LEU CD1 . 34781 1 234 . 1 . 1 28 28 LEU CD2 C 13 26.171 0.400 . 2 . . . . A 44 LEU CD2 . 34781 1 235 . 1 . 1 28 28 LEU N N 15 123.858 0.400 . 1 . . . . A 44 LEU N . 34781 1 236 . 1 . 1 29 29 SER H H 1 8.443 0.020 . 1 . . . . A 45 SER H . 34781 1 237 . 1 . 1 29 29 SER HA H 1 4.070 0.020 . 1 . . . . A 45 SER HA . 34781 1 238 . 1 . 1 29 29 SER HB2 H 1 3.911 0.020 . 2 . . . . A 45 SER HB2 . 34781 1 239 . 1 . 1 29 29 SER HB3 H 1 3.911 0.020 . 2 . . . . A 45 SER HB3 . 34781 1 240 . 1 . 1 29 29 SER C C 13 177.047 0.400 . 1 . . . . A 45 SER C . 34781 1 241 . 1 . 1 29 29 SER CA C 13 61.910 0.400 . 1 . . . . A 45 SER CA . 34781 1 242 . 1 . 1 29 29 SER CB C 13 62.479 0.400 . 1 . . . . A 45 SER CB . 34781 1 243 . 1 . 1 29 29 SER N N 15 113.729 0.400 . 1 . . . . A 45 SER N . 34781 1 244 . 1 . 1 30 30 ASN H H 1 8.000 0.020 . 1 . . . . A 46 ASN H . 34781 1 245 . 1 . 1 30 30 ASN HA H 1 4.549 0.020 . 1 . . . . A 46 ASN HA . 34781 1 246 . 1 . 1 30 30 ASN HB2 H 1 3.064 0.020 . 2 . . . . A 46 ASN HB2 . 34781 1 247 . 1 . 1 30 30 ASN HB3 H 1 3.157 0.020 . 2 . . . . A 46 ASN HB3 . 34781 1 248 . 1 . 1 30 30 ASN C C 13 177.513 0.400 . 1 . . . . A 46 ASN C . 34781 1 249 . 1 . 1 30 30 ASN CA C 13 56.300 0.400 . 1 . . . . A 46 ASN CA . 34781 1 250 . 1 . 1 30 30 ASN CB C 13 39.139 0.400 . 1 . . . . A 46 ASN CB . 34781 1 251 . 1 . 1 30 30 ASN N N 15 119.457 0.400 . 1 . . . . A 46 ASN N . 34781 1 252 . 1 . 1 31 31 ALA H H 1 7.446 0.020 . 1 . . . . A 47 ALA H . 34781 1 253 . 1 . 1 31 31 ALA HA H 1 3.143 0.020 . 1 . . . . A 47 ALA HA . 34781 1 254 . 1 . 1 31 31 ALA HB1 H 1 1.289 0.020 . 1 . . . . A 47 ALA HB1 . 34781 1 255 . 1 . 1 31 31 ALA HB2 H 1 1.289 0.020 . 1 . . . . A 47 ALA HB2 . 34781 1 256 . 1 . 1 31 31 ALA HB3 H 1 1.289 0.020 . 1 . . . . A 47 ALA HB3 . 34781 1 257 . 1 . 1 31 31 ALA C C 13 178.867 0.400 . 1 . . . . A 47 ALA C . 34781 1 258 . 1 . 1 31 31 ALA CA C 13 54.675 0.400 . 1 . . . . A 47 ALA CA . 34781 1 259 . 1 . 1 31 31 ALA CB C 13 19.266 0.400 . 1 . . . . A 47 ALA CB . 34781 1 260 . 1 . 1 31 31 ALA N N 15 123.330 0.400 . 1 . . . . A 47 ALA N . 34781 1 261 . 1 . 1 32 32 VAL H H 1 8.351 0.020 . 1 . . . . A 48 VAL H . 34781 1 262 . 1 . 1 32 32 VAL HA H 1 3.628 0.020 . 1 . . . . A 48 VAL HA . 34781 1 263 . 1 . 1 32 32 VAL HB H 1 2.343 0.020 . 1 . . . . A 48 VAL HB . 34781 1 264 . 1 . 1 32 32 VAL HG11 H 1 0.987 0.020 . 2 . . . . A 48 VAL HG11 . 34781 1 265 . 1 . 1 32 32 VAL HG12 H 1 0.987 0.020 . 2 . . . . A 48 VAL HG12 . 34781 1 266 . 1 . 1 32 32 VAL HG13 H 1 0.987 0.020 . 2 . . . . A 48 VAL HG13 . 34781 1 267 . 1 . 1 32 32 VAL HG21 H 1 1.104 0.020 . 2 . . . . A 48 VAL HG21 . 34781 1 268 . 1 . 1 32 32 VAL HG22 H 1 1.104 0.020 . 2 . . . . A 48 VAL HG22 . 34781 1 269 . 1 . 1 32 32 VAL HG23 H 1 1.104 0.020 . 2 . . . . A 48 VAL HG23 . 34781 1 270 . 1 . 1 32 32 VAL C C 13 177.135 0.400 . 1 . . . . A 48 VAL C . 34781 1 271 . 1 . 1 32 32 VAL CA C 13 67.132 0.400 . 1 . . . . A 48 VAL CA . 34781 1 272 . 1 . 1 32 32 VAL CB C 13 31.418 0.400 . 1 . . . . A 48 VAL CB . 34781 1 273 . 1 . 1 32 32 VAL CG1 C 13 21.238 0.400 . 2 . . . . A 48 VAL CG1 . 34781 1 274 . 1 . 1 32 32 VAL CG2 C 13 23.655 0.400 . 2 . . . . A 48 VAL CG2 . 34781 1 275 . 1 . 1 32 32 VAL N N 15 120.866 0.400 . 1 . . . . A 48 VAL N . 34781 1 276 . 1 . 1 33 33 THR H H 1 7.914 0.020 . 1 . . . . A 49 THR H . 34781 1 277 . 1 . 1 33 33 THR HA H 1 3.720 0.020 . 1 . . . . A 49 THR HA . 34781 1 278 . 1 . 1 33 33 THR HB H 1 4.142 0.020 . 1 . . . . A 49 THR HB . 34781 1 279 . 1 . 1 33 33 THR HG1 H 1 4.634 0.020 . 1 . . . . A 49 THR HG1 . 34781 1 280 . 1 . 1 33 33 THR HG21 H 1 1.207 0.020 . 1 . . . . A 49 THR HG21 . 34781 1 281 . 1 . 1 33 33 THR HG22 H 1 1.207 0.020 . 1 . . . . A 49 THR HG22 . 34781 1 282 . 1 . 1 33 33 THR HG23 H 1 1.207 0.020 . 1 . . . . A 49 THR HG23 . 34781 1 283 . 1 . 1 33 33 THR C C 13 176.587 0.400 . 1 . . . . A 49 THR C . 34781 1 284 . 1 . 1 33 33 THR CA C 13 66.530 0.400 . 1 . . . . A 49 THR CA . 34781 1 285 . 1 . 1 33 33 THR CB C 13 68.872 0.400 . 1 . . . . A 49 THR CB . 34781 1 286 . 1 . 1 33 33 THR CG2 C 13 22.053 0.400 . 1 . . . . A 49 THR CG2 . 34781 1 287 . 1 . 1 33 33 THR N N 15 115.546 0.400 . 1 . . . . A 49 THR N . 34781 1 288 . 1 . 1 34 34 ALA H H 1 7.608 0.020 . 1 . . . . A 50 ALA H . 34781 1 289 . 1 . 1 34 34 ALA HA H 1 4.085 0.020 . 1 . . . . A 50 ALA HA . 34781 1 290 . 1 . 1 34 34 ALA HB1 H 1 1.387 0.020 . 1 . . . . A 50 ALA HB1 . 34781 1 291 . 1 . 1 34 34 ALA HB2 H 1 1.387 0.020 . 1 . . . . A 50 ALA HB2 . 34781 1 292 . 1 . 1 34 34 ALA HB3 H 1 1.387 0.020 . 1 . . . . A 50 ALA HB3 . 34781 1 293 . 1 . 1 34 34 ALA C C 13 180.832 0.400 . 1 . . . . A 50 ALA C . 34781 1 294 . 1 . 1 34 34 ALA CA C 13 55.160 0.400 . 1 . . . . A 50 ALA CA . 34781 1 295 . 1 . 1 34 34 ALA CB C 13 19.217 0.400 . 1 . . . . A 50 ALA CB . 34781 1 296 . 1 . 1 34 34 ALA N N 15 122.407 0.400 . 1 . . . . A 50 ALA N . 34781 1 297 . 1 . 1 35 35 GLY H H 1 8.702 0.020 . 1 . . . . A 51 GLY H . 34781 1 298 . 1 . 1 35 35 GLY HA2 H 1 3.264 0.020 . 2 . . . . A 51 GLY HA2 . 34781 1 299 . 1 . 1 35 35 GLY HA3 H 1 3.264 0.020 . 2 . . . . A 51 GLY HA3 . 34781 1 300 . 1 . 1 35 35 GLY C C 13 174.707 0.400 . 1 . . . . A 51 GLY C . 34781 1 301 . 1 . 1 35 35 GLY CA C 13 47.244 0.400 . 1 . . . . A 51 GLY CA . 34781 1 302 . 1 . 1 35 35 GLY N N 15 108.924 0.400 . 1 . . . . A 51 GLY N . 34781 1 303 . 1 . 1 36 36 ALA H H 1 7.452 0.020 . 1 . . . . A 52 ALA H . 34781 1 304 . 1 . 1 36 36 ALA HA H 1 3.093 0.020 . 1 . . . . A 52 ALA HA . 34781 1 305 . 1 . 1 36 36 ALA HB1 H 1 0.999 0.020 . 1 . . . . A 52 ALA HB1 . 34781 1 306 . 1 . 1 36 36 ALA HB2 H 1 0.999 0.020 . 1 . . . . A 52 ALA HB2 . 34781 1 307 . 1 . 1 36 36 ALA HB3 H 1 0.999 0.020 . 1 . . . . A 52 ALA HB3 . 34781 1 308 . 1 . 1 36 36 ALA C C 13 176.829 0.400 . 1 . . . . A 52 ALA C . 34781 1 309 . 1 . 1 36 36 ALA CA C 13 53.396 0.400 . 1 . . . . A 52 ALA CA . 34781 1 310 . 1 . 1 36 36 ALA CB C 13 17.691 0.400 . 1 . . . . A 52 ALA CB . 34781 1 311 . 1 . 1 36 36 ALA N N 15 121.698 0.400 . 1 . . . . A 52 ALA N . 34781 1 312 . 1 . 1 37 37 ALA H H 1 6.854 0.020 . 1 . . . . A 53 ALA H . 34781 1 313 . 1 . 1 37 37 ALA HA H 1 4.341 0.020 . 1 . . . . A 53 ALA HA . 34781 1 314 . 1 . 1 37 37 ALA HB1 H 1 1.397 0.020 . 1 . . . . A 53 ALA HB1 . 34781 1 315 . 1 . 1 37 37 ALA HB2 H 1 1.397 0.020 . 1 . . . . A 53 ALA HB2 . 34781 1 316 . 1 . 1 37 37 ALA HB3 H 1 1.397 0.020 . 1 . . . . A 53 ALA HB3 . 34781 1 317 . 1 . 1 37 37 ALA C C 13 177.050 0.400 . 1 . . . . A 53 ALA C . 34781 1 318 . 1 . 1 37 37 ALA CA C 13 51.133 0.400 . 1 . . . . A 53 ALA CA . 34781 1 319 . 1 . 1 37 37 ALA CB C 13 19.491 0.400 . 1 . . . . A 53 ALA CB . 34781 1 320 . 1 . 1 37 37 ALA N N 15 117.601 0.400 . 1 . . . . A 53 ALA N . 34781 1 321 . 1 . 1 38 38 ALA H H 1 7.322 0.020 . 1 . . . . A 54 ALA H . 34781 1 322 . 1 . 1 38 38 ALA HA H 1 4.707 0.020 . 1 . . . . A 54 ALA HA . 34781 1 323 . 1 . 1 38 38 ALA HB1 H 1 1.378 0.020 . 1 . . . . A 54 ALA HB1 . 34781 1 324 . 1 . 1 38 38 ALA HB2 H 1 1.378 0.020 . 1 . . . . A 54 ALA HB2 . 34781 1 325 . 1 . 1 38 38 ALA HB3 H 1 1.378 0.020 . 1 . . . . A 54 ALA HB3 . 34781 1 326 . 1 . 1 38 38 ALA C C 13 176.474 0.400 . 1 . . . . A 54 ALA C . 34781 1 327 . 1 . 1 38 38 ALA CA C 13 49.702 0.400 . 1 . . . . A 54 ALA CA . 34781 1 328 . 1 . 1 38 38 ALA CB C 13 17.872 0.400 . 1 . . . . A 54 ALA CB . 34781 1 329 . 1 . 1 38 38 ALA N N 15 125.494 0.400 . 1 . . . . A 54 ALA N . 34781 1 330 . 1 . 1 39 39 PRO HA H 1 4.325 0.020 . 1 . . . . A 55 PRO HA . 34781 1 331 . 1 . 1 39 39 PRO HB2 H 1 2.420 0.020 . 2 . . . . A 55 PRO HB2 . 34781 1 332 . 1 . 1 39 39 PRO HB3 H 1 2.000 0.020 . 2 . . . . A 55 PRO HB3 . 34781 1 333 . 1 . 1 39 39 PRO HG2 H 1 2.101 0.020 . 2 . . . . A 55 PRO HG2 . 34781 1 334 . 1 . 1 39 39 PRO HG3 H 1 2.101 0.020 . 2 . . . . A 55 PRO HG3 . 34781 1 335 . 1 . 1 39 39 PRO HD2 H 1 4.170 0.020 . 2 . . . . A 55 PRO HD2 . 34781 1 336 . 1 . 1 39 39 PRO HD3 H 1 3.945 0.020 . 2 . . . . A 55 PRO HD3 . 34781 1 337 . 1 . 1 39 39 PRO C C 13 177.991 0.400 . 1 . . . . A 55 PRO C . 34781 1 338 . 1 . 1 39 39 PRO CA C 13 65.105 0.400 . 1 . . . . A 55 PRO CA . 34781 1 339 . 1 . 1 39 39 PRO CB C 13 32.186 0.400 . 1 . . . . A 55 PRO CB . 34781 1 340 . 1 . 1 39 39 PRO CG C 13 27.615 0.400 . 1 . . . . A 55 PRO CG . 34781 1 341 . 1 . 1 39 39 PRO CD C 13 51.241 0.400 . 1 . . . . A 55 PRO CD . 34781 1 342 . 1 . 1 40 40 GLN H H 1 8.820 0.020 . 1 . . . . A 56 GLN H . 34781 1 343 . 1 . 1 40 40 GLN HA H 1 4.582 0.020 . 1 . . . . A 56 GLN HA . 34781 1 344 . 1 . 1 40 40 GLN HB2 H 1 2.372 0.020 . 2 . . . . A 56 GLN HB2 . 34781 1 345 . 1 . 1 40 40 GLN HB3 H 1 2.372 0.020 . 2 . . . . A 56 GLN HB3 . 34781 1 346 . 1 . 1 40 40 GLN HG2 H 1 2.665 0.020 . 2 . . . . A 56 GLN HG2 . 34781 1 347 . 1 . 1 40 40 GLN HG3 H 1 2.551 0.020 . 2 . . . . A 56 GLN HG3 . 34781 1 348 . 1 . 1 40 40 GLN C C 13 175.832 0.400 . 1 . . . . A 56 GLN C . 34781 1 349 . 1 . 1 40 40 GLN CA C 13 57.552 0.400 . 1 . . . . A 56 GLN CA . 34781 1 350 . 1 . 1 40 40 GLN CB C 13 28.710 0.400 . 1 . . . . A 56 GLN CB . 34781 1 351 . 1 . 1 40 40 GLN CG C 13 34.122 0.400 . 1 . . . . A 56 GLN CG . 34781 1 352 . 1 . 1 40 40 GLN N N 15 112.038 0.400 . 1 . . . . A 56 GLN N . 34781 1 353 . 1 . 1 41 41 LEU H H 1 7.569 0.020 . 1 . . . . A 57 LEU H . 34781 1 354 . 1 . 1 41 41 LEU HA H 1 5.581 0.020 . 1 . . . . A 57 LEU HA . 34781 1 355 . 1 . 1 41 41 LEU HB2 H 1 2.117 0.020 . 2 . . . . A 57 LEU HB2 . 34781 1 356 . 1 . 1 41 41 LEU HB3 H 1 1.979 0.020 . 2 . . . . A 57 LEU HB3 . 34781 1 357 . 1 . 1 41 41 LEU HG H 1 1.436 0.020 . 1 . . . . A 57 LEU HG . 34781 1 358 . 1 . 1 41 41 LEU HD11 H 1 1.039 0.020 . 2 . . . . A 57 LEU HD11 . 34781 1 359 . 1 . 1 41 41 LEU HD12 H 1 1.039 0.020 . 2 . . . . A 57 LEU HD12 . 34781 1 360 . 1 . 1 41 41 LEU HD13 H 1 1.039 0.020 . 2 . . . . A 57 LEU HD13 . 34781 1 361 . 1 . 1 41 41 LEU HD21 H 1 0.983 0.020 . 2 . . . . A 57 LEU HD21 . 34781 1 362 . 1 . 1 41 41 LEU HD22 H 1 0.983 0.020 . 2 . . . . A 57 LEU HD22 . 34781 1 363 . 1 . 1 41 41 LEU HD23 H 1 0.983 0.020 . 2 . . . . A 57 LEU HD23 . 34781 1 364 . 1 . 1 41 41 LEU C C 13 176.535 0.400 . 1 . . . . A 57 LEU C . 34781 1 365 . 1 . 1 41 41 LEU CA C 13 53.991 0.400 . 1 . . . . A 57 LEU CA . 34781 1 366 . 1 . 1 41 41 LEU CB C 13 42.895 0.400 . 1 . . . . A 57 LEU CB . 34781 1 367 . 1 . 1 41 41 LEU CG C 13 27.407 0.400 . 1 . . . . A 57 LEU CG . 34781 1 368 . 1 . 1 41 41 LEU CD1 C 13 28.579 0.400 . 2 . . . . A 57 LEU CD1 . 34781 1 369 . 1 . 1 41 41 LEU CD2 C 13 24.098 0.400 . 2 . . . . A 57 LEU CD2 . 34781 1 370 . 1 . 1 41 41 LEU N N 15 117.295 0.400 . 1 . . . . A 57 LEU N . 34781 1 371 . 1 . 1 42 42 THR H H 1 7.230 0.020 . 1 . . . . A 58 THR H . 34781 1 372 . 1 . 1 42 42 THR HA H 1 4.132 0.020 . 1 . . . . A 58 THR HA . 34781 1 373 . 1 . 1 42 42 THR HB H 1 4.344 0.020 . 1 . . . . A 58 THR HB . 34781 1 374 . 1 . 1 42 42 THR HG1 H 1 4.634 0.020 . 1 . . . . A 58 THR HG1 . 34781 1 375 . 1 . 1 42 42 THR HG21 H 1 1.420 0.020 . 1 . . . . A 58 THR HG21 . 34781 1 376 . 1 . 1 42 42 THR HG22 H 1 1.420 0.020 . 1 . . . . A 58 THR HG22 . 34781 1 377 . 1 . 1 42 42 THR HG23 H 1 1.420 0.020 . 1 . . . . A 58 THR HG23 . 34781 1 378 . 1 . 1 42 42 THR C C 13 179.170 0.400 . 1 . . . . A 58 THR C . 34781 1 379 . 1 . 1 42 42 THR CA C 13 66.015 0.400 . 1 . . . . A 58 THR CA . 34781 1 380 . 1 . 1 42 42 THR CB C 13 68.456 0.400 . 1 . . . . A 58 THR CB . 34781 1 381 . 1 . 1 42 42 THR CG2 C 13 22.768 0.400 . 1 . . . . A 58 THR CG2 . 34781 1 382 . 1 . 1 42 42 THR N N 15 110.461 0.400 . 1 . . . . A 58 THR N . 34781 1 383 . 1 . 1 43 43 THR H H 1 9.647 0.020 . 1 . . . . A 59 THR H . 34781 1 384 . 1 . 1 43 43 THR HA H 1 3.728 0.020 . 1 . . . . A 59 THR HA . 34781 1 385 . 1 . 1 43 43 THR HB H 1 3.865 0.020 . 1 . . . . A 59 THR HB . 34781 1 386 . 1 . 1 43 43 THR HG1 H 1 4.634 0.020 . 1 . . . . A 59 THR HG1 . 34781 1 387 . 1 . 1 43 43 THR HG21 H 1 0.177 0.020 . 1 . . . . A 59 THR HG21 . 34781 1 388 . 1 . 1 43 43 THR HG22 H 1 0.177 0.020 . 1 . . . . A 59 THR HG22 . 34781 1 389 . 1 . 1 43 43 THR HG23 H 1 0.177 0.020 . 1 . . . . A 59 THR HG23 . 34781 1 390 . 1 . 1 43 43 THR C C 13 174.740 0.400 . 1 . . . . A 59 THR C . 34781 1 391 . 1 . 1 43 43 THR CA C 13 67.214 0.400 . 1 . . . . A 59 THR CA . 34781 1 392 . 1 . 1 43 43 THR CB C 13 67.205 0.400 . 1 . . . . A 59 THR CB . 34781 1 393 . 1 . 1 43 43 THR CG2 C 13 21.312 0.400 . 1 . . . . A 59 THR CG2 . 34781 1 394 . 1 . 1 43 43 THR N N 15 124.181 0.400 . 1 . . . . A 59 THR N . 34781 1 395 . 1 . 1 44 44 LEU H H 1 8.786 0.020 . 1 . . . . A 60 LEU H . 34781 1 396 . 1 . 1 44 44 LEU HA H 1 3.705 0.020 . 1 . . . . A 60 LEU HA . 34781 1 397 . 1 . 1 44 44 LEU HB2 H 1 2.112 0.020 . 2 . . . . A 60 LEU HB2 . 34781 1 398 . 1 . 1 44 44 LEU HB3 H 1 1.852 0.020 . 2 . . . . A 60 LEU HB3 . 34781 1 399 . 1 . 1 44 44 LEU HG H 1 1.026 0.020 . 1 . . . . A 60 LEU HG . 34781 1 400 . 1 . 1 44 44 LEU HD11 H 1 1.052 0.020 . 2 . . . . A 60 LEU HD11 . 34781 1 401 . 1 . 1 44 44 LEU HD12 H 1 1.052 0.020 . 2 . . . . A 60 LEU HD12 . 34781 1 402 . 1 . 1 44 44 LEU HD13 H 1 1.052 0.020 . 2 . . . . A 60 LEU HD13 . 34781 1 403 . 1 . 1 44 44 LEU HD21 H 1 0.924 0.020 . 2 . . . . A 60 LEU HD21 . 34781 1 404 . 1 . 1 44 44 LEU HD22 H 1 0.924 0.020 . 2 . . . . A 60 LEU HD22 . 34781 1 405 . 1 . 1 44 44 LEU HD23 H 1 0.924 0.020 . 2 . . . . A 60 LEU HD23 . 34781 1 406 . 1 . 1 44 44 LEU C C 13 178.402 0.400 . 1 . . . . A 60 LEU C . 34781 1 407 . 1 . 1 44 44 LEU CA C 13 58.306 0.400 . 1 . . . . A 60 LEU CA . 34781 1 408 . 1 . 1 44 44 LEU CB C 13 40.573 0.400 . 1 . . . . A 60 LEU CB . 34781 1 409 . 1 . 1 44 44 LEU CG C 13 27.072 0.400 . 1 . . . . A 60 LEU CG . 34781 1 410 . 1 . 1 44 44 LEU CD1 C 13 27.774 0.400 . 2 . . . . A 60 LEU CD1 . 34781 1 411 . 1 . 1 44 44 LEU CD2 C 13 22.835 0.400 . 2 . . . . A 60 LEU CD2 . 34781 1 412 . 1 . 1 44 44 LEU N N 15 123.445 0.400 . 1 . . . . A 60 LEU N . 34781 1 413 . 1 . 1 45 45 PHE H H 1 8.417 0.020 . 1 . . . . A 61 PHE H . 34781 1 414 . 1 . 1 45 45 PHE HA H 1 3.872 0.020 . 1 . . . . A 61 PHE HA . 34781 1 415 . 1 . 1 45 45 PHE HB2 H 1 2.981 0.020 . 2 . . . . A 61 PHE HB2 . 34781 1 416 . 1 . 1 45 45 PHE HB3 H 1 2.922 0.020 . 2 . . . . A 61 PHE HB3 . 34781 1 417 . 1 . 1 45 45 PHE HD1 H 1 7.295 0.020 . 1 . . . . A 61 PHE HD1 . 34781 1 418 . 1 . 1 45 45 PHE HD2 H 1 7.295 0.020 . 1 . . . . A 61 PHE HD2 . 34781 1 419 . 1 . 1 45 45 PHE HE1 H 1 6.939 0.020 . 1 . . . . A 61 PHE HE1 . 34781 1 420 . 1 . 1 45 45 PHE HE2 H 1 6.939 0.020 . 1 . . . . A 61 PHE HE2 . 34781 1 421 . 1 . 1 45 45 PHE HZ H 1 6.771 0.020 . 1 . . . . A 61 PHE HZ . 34781 1 422 . 1 . 1 45 45 PHE C C 13 178.179 0.400 . 1 . . . . A 61 PHE C . 34781 1 423 . 1 . 1 45 45 PHE CA C 13 63.973 0.400 . 1 . . . . A 61 PHE CA . 34781 1 424 . 1 . 1 45 45 PHE CB C 13 38.137 0.400 . 1 . . . . A 61 PHE CB . 34781 1 425 . 1 . 1 45 45 PHE CD1 C 13 129.762 0.400 . 3 . . . . A 61 PHE CD1 . 34781 1 426 . 1 . 1 45 45 PHE CE1 C 13 130.539 0.400 . 3 . . . . A 61 PHE CE1 . 34781 1 427 . 1 . 1 45 45 PHE CZ C 13 128.596 0.400 . 1 . . . . A 61 PHE CZ . 34781 1 428 . 1 . 1 45 45 PHE N N 15 115.276 0.400 . 1 . . . . A 61 PHE N . 34781 1 429 . 1 . 1 46 46 ALA H H 1 8.241 0.020 . 1 . . . . A 62 ALA H . 34781 1 430 . 1 . 1 46 46 ALA HA H 1 4.172 0.020 . 1 . . . . A 62 ALA HA . 34781 1 431 . 1 . 1 46 46 ALA HB1 H 1 1.515 0.020 . 1 . . . . A 62 ALA HB1 . 34781 1 432 . 1 . 1 46 46 ALA HB2 H 1 1.515 0.020 . 1 . . . . A 62 ALA HB2 . 34781 1 433 . 1 . 1 46 46 ALA HB3 H 1 1.515 0.020 . 1 . . . . A 62 ALA HB3 . 34781 1 434 . 1 . 1 46 46 ALA C C 13 180.752 0.400 . 1 . . . . A 62 ALA C . 34781 1 435 . 1 . 1 46 46 ALA CA C 13 55.376 0.400 . 1 . . . . A 62 ALA CA . 34781 1 436 . 1 . 1 46 46 ALA CB C 13 17.542 0.400 . 1 . . . . A 62 ALA CB . 34781 1 437 . 1 . 1 46 46 ALA N N 15 124.946 0.400 . 1 . . . . A 62 ALA N . 34781 1 438 . 1 . 1 47 47 ALA H H 1 8.322 0.020 . 1 . . . . A 63 ALA H . 34781 1 439 . 1 . 1 47 47 ALA HA H 1 3.956 0.020 . 1 . . . . A 63 ALA HA . 34781 1 440 . 1 . 1 47 47 ALA HB1 H 1 1.390 0.020 . 1 . . . . A 63 ALA HB1 . 34781 1 441 . 1 . 1 47 47 ALA HB2 H 1 1.390 0.020 . 1 . . . . A 63 ALA HB2 . 34781 1 442 . 1 . 1 47 47 ALA HB3 H 1 1.390 0.020 . 1 . . . . A 63 ALA HB3 . 34781 1 443 . 1 . 1 47 47 ALA C C 13 178.276 0.400 . 1 . . . . A 63 ALA C . 34781 1 444 . 1 . 1 47 47 ALA CA C 13 55.077 0.400 . 1 . . . . A 63 ALA CA . 34781 1 445 . 1 . 1 47 47 ALA CB C 13 17.546 0.400 . 1 . . . . A 63 ALA CB . 34781 1 446 . 1 . 1 47 47 ALA N N 15 123.030 0.400 . 1 . . . . A 63 ALA N . 34781 1 447 . 1 . 1 48 48 VAL H H 1 8.589 0.020 . 1 . . . . A 64 VAL H . 34781 1 448 . 1 . 1 48 48 VAL HA H 1 3.321 0.020 . 1 . . . . A 64 VAL HA . 34781 1 449 . 1 . 1 48 48 VAL HB H 1 1.916 0.020 . 1 . . . . A 64 VAL HB . 34781 1 450 . 1 . 1 48 48 VAL HG11 H 1 0.663 0.020 . 2 . . . . A 64 VAL HG11 . 34781 1 451 . 1 . 1 48 48 VAL HG12 H 1 0.663 0.020 . 2 . . . . A 64 VAL HG12 . 34781 1 452 . 1 . 1 48 48 VAL HG13 H 1 0.663 0.020 . 2 . . . . A 64 VAL HG13 . 34781 1 453 . 1 . 1 48 48 VAL HG21 H 1 0.526 0.020 . 2 . . . . A 64 VAL HG21 . 34781 1 454 . 1 . 1 48 48 VAL HG22 H 1 0.526 0.020 . 2 . . . . A 64 VAL HG22 . 34781 1 455 . 1 . 1 48 48 VAL HG23 H 1 0.526 0.020 . 2 . . . . A 64 VAL HG23 . 34781 1 456 . 1 . 1 48 48 VAL C C 13 178.417 0.400 . 1 . . . . A 64 VAL C . 34781 1 457 . 1 . 1 48 48 VAL CA C 13 66.115 0.400 . 1 . . . . A 64 VAL CA . 34781 1 458 . 1 . 1 48 48 VAL CB C 13 32.018 0.400 . 1 . . . . A 64 VAL CB . 34781 1 459 . 1 . 1 48 48 VAL CG1 C 13 20.976 0.400 . 2 . . . . A 64 VAL CG1 . 34781 1 460 . 1 . 1 48 48 VAL CG2 C 13 22.305 0.400 . 2 . . . . A 64 VAL CG2 . 34781 1 461 . 1 . 1 48 48 VAL N N 15 118.155 0.400 . 1 . . . . A 64 VAL N . 34781 1 462 . 1 . 1 49 49 ARG H H 1 7.853 0.020 . 1 . . . . A 65 ARG H . 34781 1 463 . 1 . 1 49 49 ARG HA H 1 4.151 0.020 . 1 . . . . A 65 ARG HA . 34781 1 464 . 1 . 1 49 49 ARG HB2 H 1 1.942 0.020 . 2 . . . . A 65 ARG HB2 . 34781 1 465 . 1 . 1 49 49 ARG HB3 H 1 1.942 0.020 . 2 . . . . A 65 ARG HB3 . 34781 1 466 . 1 . 1 49 49 ARG HG2 H 1 1.928 0.020 . 2 . . . . A 65 ARG HG2 . 34781 1 467 . 1 . 1 49 49 ARG HG3 H 1 1.629 0.020 . 2 . . . . A 65 ARG HG3 . 34781 1 468 . 1 . 1 49 49 ARG HD2 H 1 3.316 0.020 . 2 . . . . A 65 ARG HD2 . 34781 1 469 . 1 . 1 49 49 ARG HD3 H 1 3.231 0.020 . 2 . . . . A 65 ARG HD3 . 34781 1 470 . 1 . 1 49 49 ARG C C 13 179.799 0.400 . 1 . . . . A 65 ARG C . 34781 1 471 . 1 . 1 49 49 ARG CA C 13 59.666 0.400 . 1 . . . . A 65 ARG CA . 34781 1 472 . 1 . 1 49 49 ARG CB C 13 30.518 0.400 . 1 . . . . A 65 ARG CB . 34781 1 473 . 1 . 1 49 49 ARG CG C 13 28.252 0.400 . 1 . . . . A 65 ARG CG . 34781 1 474 . 1 . 1 49 49 ARG CD C 13 43.650 0.400 . 1 . . . . A 65 ARG CD . 34781 1 475 . 1 . 1 49 49 ARG N N 15 118.445 0.400 . 1 . . . . A 65 ARG N . 34781 1 476 . 1 . 1 50 50 ALA H H 1 8.297 0.020 . 1 . . . . A 66 ALA H . 34781 1 477 . 1 . 1 50 50 ALA HA H 1 4.169 0.020 . 1 . . . . A 66 ALA HA . 34781 1 478 . 1 . 1 50 50 ALA HB1 H 1 1.512 0.020 . 1 . . . . A 66 ALA HB1 . 34781 1 479 . 1 . 1 50 50 ALA HB2 H 1 1.512 0.020 . 1 . . . . A 66 ALA HB2 . 34781 1 480 . 1 . 1 50 50 ALA HB3 H 1 1.512 0.020 . 1 . . . . A 66 ALA HB3 . 34781 1 481 . 1 . 1 50 50 ALA C C 13 179.114 0.400 . 1 . . . . A 66 ALA C . 34781 1 482 . 1 . 1 50 50 ALA CA C 13 54.955 0.400 . 1 . . . . A 66 ALA CA . 34781 1 483 . 1 . 1 50 50 ALA CB C 13 18.844 0.400 . 1 . . . . A 66 ALA CB . 34781 1 484 . 1 . 1 50 50 ALA N N 15 123.214 0.400 . 1 . . . . A 66 ALA N . 34781 1 485 . 1 . 1 51 51 ALA H H 1 8.147 0.020 . 1 . . . . A 67 ALA H . 34781 1 486 . 1 . 1 51 51 ALA HA H 1 4.121 0.020 . 1 . . . . A 67 ALA HA . 34781 1 487 . 1 . 1 51 51 ALA HB1 H 1 1.346 0.020 . 1 . . . . A 67 ALA HB1 . 34781 1 488 . 1 . 1 51 51 ALA HB2 H 1 1.346 0.020 . 1 . . . . A 67 ALA HB2 . 34781 1 489 . 1 . 1 51 51 ALA HB3 H 1 1.346 0.020 . 1 . . . . A 67 ALA HB3 . 34781 1 490 . 1 . 1 51 51 ALA C C 13 175.810 0.400 . 1 . . . . A 67 ALA C . 34781 1 491 . 1 . 1 51 51 ALA CA C 13 52.449 0.400 . 1 . . . . A 67 ALA CA . 34781 1 492 . 1 . 1 51 51 ALA CB C 13 20.130 0.400 . 1 . . . . A 67 ALA CB . 34781 1 493 . 1 . 1 51 51 ALA N N 15 117.093 0.400 . 1 . . . . A 67 ALA N . 34781 1 494 . 1 . 1 52 52 ASN H H 1 7.843 0.020 . 1 . . . . A 68 ASN H . 34781 1 495 . 1 . 1 52 52 ASN HA H 1 4.663 0.020 . 1 . . . . A 68 ASN HA . 34781 1 496 . 1 . 1 52 52 ASN HB2 H 1 3.367 0.020 . 2 . . . . A 68 ASN HB2 . 34781 1 497 . 1 . 1 52 52 ASN HB3 H 1 2.602 0.020 . 2 . . . . A 68 ASN HB3 . 34781 1 498 . 1 . 1 52 52 ASN HD21 H 1 7.506 0.020 . 2 . . . . A 68 ASN HD21 . 34781 1 499 . 1 . 1 52 52 ASN HD22 H 1 6.819 0.020 . 2 . . . . A 68 ASN HD22 . 34781 1 500 . 1 . 1 52 52 ASN C C 13 176.115 0.400 . 1 . . . . A 68 ASN C . 34781 1 501 . 1 . 1 52 52 ASN CA C 13 54.003 0.400 . 1 . . . . A 68 ASN CA . 34781 1 502 . 1 . 1 52 52 ASN CB C 13 37.332 0.400 . 1 . . . . A 68 ASN CB . 34781 1 503 . 1 . 1 52 52 ASN N N 15 114.032 0.400 . 1 . . . . A 68 ASN N . 34781 1 504 . 1 . 1 52 52 ASN ND2 N 15 111.290 0.400 . 1 . . . . A 68 ASN ND2 . 34781 1 505 . 1 . 1 53 53 VAL H H 1 7.282 0.020 . 1 . . . . A 69 VAL H . 34781 1 506 . 1 . 1 53 53 VAL HA H 1 4.588 0.020 . 1 . . . . A 69 VAL HA . 34781 1 507 . 1 . 1 53 53 VAL HB H 1 2.581 0.020 . 1 . . . . A 69 VAL HB . 34781 1 508 . 1 . 1 53 53 VAL HG11 H 1 0.701 0.020 . 2 . . . . A 69 VAL HG11 . 34781 1 509 . 1 . 1 53 53 VAL HG12 H 1 0.701 0.020 . 2 . . . . A 69 VAL HG12 . 34781 1 510 . 1 . 1 53 53 VAL HG13 H 1 0.701 0.020 . 2 . . . . A 69 VAL HG13 . 34781 1 511 . 1 . 1 53 53 VAL HG21 H 1 0.706 0.020 . 2 . . . . A 69 VAL HG21 . 34781 1 512 . 1 . 1 53 53 VAL HG22 H 1 0.706 0.020 . 2 . . . . A 69 VAL HG22 . 34781 1 513 . 1 . 1 53 53 VAL HG23 H 1 0.706 0.020 . 2 . . . . A 69 VAL HG23 . 34781 1 514 . 1 . 1 53 53 VAL C C 13 176.621 0.400 . 1 . . . . A 69 VAL C . 34781 1 515 . 1 . 1 53 53 VAL CA C 13 61.189 0.400 . 1 . . . . A 69 VAL CA . 34781 1 516 . 1 . 1 53 53 VAL CB C 13 32.192 0.400 . 1 . . . . A 69 VAL CB . 34781 1 517 . 1 . 1 53 53 VAL CG1 C 13 21.545 0.400 . 2 . . . . A 69 VAL CG1 . 34781 1 518 . 1 . 1 53 53 VAL CG2 C 13 20.229 0.400 . 2 . . . . A 69 VAL CG2 . 34781 1 519 . 1 . 1 53 53 VAL N N 15 106.009 0.400 . 1 . . . . A 69 VAL N . 34781 1 520 . 1 . 1 54 54 THR H H 1 7.808 0.020 . 1 . . . . A 70 THR H . 34781 1 521 . 1 . 1 54 54 THR HA H 1 3.724 0.020 . 1 . . . . A 70 THR HA . 34781 1 522 . 1 . 1 54 54 THR HB H 1 4.240 0.020 . 1 . . . . A 70 THR HB . 34781 1 523 . 1 . 1 54 54 THR HG1 H 1 4.634 0.020 . 1 . . . . A 70 THR HG1 . 34781 1 524 . 1 . 1 54 54 THR HG21 H 1 1.220 0.020 . 1 . . . . A 70 THR HG21 . 34781 1 525 . 1 . 1 54 54 THR HG22 H 1 1.220 0.020 . 1 . . . . A 70 THR HG22 . 34781 1 526 . 1 . 1 54 54 THR HG23 H 1 1.220 0.020 . 1 . . . . A 70 THR HG23 . 34781 1 527 . 1 . 1 54 54 THR C C 13 176.908 0.400 . 1 . . . . A 70 THR C . 34781 1 528 . 1 . 1 54 54 THR CA C 13 65.950 0.400 . 1 . . . . A 70 THR CA . 34781 1 529 . 1 . 1 54 54 THR CB C 13 68.186 0.400 . 1 . . . . A 70 THR CB . 34781 1 530 . 1 . 1 54 54 THR CG2 C 13 22.595 0.400 . 1 . . . . A 70 THR CG2 . 34781 1 531 . 1 . 1 54 54 THR N N 15 113.111 0.400 . 1 . . . . A 70 THR N . 34781 1 532 . 1 . 1 55 55 GLY H H 1 8.582 0.020 . 1 . . . . A 71 GLY H . 34781 1 533 . 1 . 1 55 55 GLY HA2 H 1 3.942 0.020 . 2 . . . . A 71 GLY HA2 . 34781 1 534 . 1 . 1 55 55 GLY HA3 H 1 3.769 0.020 . 2 . . . . A 71 GLY HA3 . 34781 1 535 . 1 . 1 55 55 GLY C C 13 174.253 0.400 . 1 . . . . A 71 GLY C . 34781 1 536 . 1 . 1 55 55 GLY CA C 13 46.162 0.400 . 1 . . . . A 71 GLY CA . 34781 1 537 . 1 . 1 55 55 GLY N N 15 108.978 0.400 . 1 . . . . A 71 GLY N . 34781 1 538 . 1 . 1 56 56 ALA H H 1 7.468 0.020 . 1 . . . . A 72 ALA H . 34781 1 539 . 1 . 1 56 56 ALA HA H 1 4.297 0.020 . 1 . . . . A 72 ALA HA . 34781 1 540 . 1 . 1 56 56 ALA HB1 H 1 1.588 0.020 . 1 . . . . A 72 ALA HB1 . 34781 1 541 . 1 . 1 56 56 ALA HB2 H 1 1.588 0.020 . 1 . . . . A 72 ALA HB2 . 34781 1 542 . 1 . 1 56 56 ALA HB3 H 1 1.588 0.020 . 1 . . . . A 72 ALA HB3 . 34781 1 543 . 1 . 1 56 56 ALA C C 13 176.319 0.400 . 1 . . . . A 72 ALA C . 34781 1 544 . 1 . 1 56 56 ALA CA C 13 52.442 0.400 . 1 . . . . A 72 ALA CA . 34781 1 545 . 1 . 1 56 56 ALA CB C 13 19.704 0.400 . 1 . . . . A 72 ALA CB . 34781 1 546 . 1 . 1 56 56 ALA N N 15 119.942 0.400 . 1 . . . . A 72 ALA N . 34781 1 547 . 1 . 1 57 57 LEU H H 1 7.336 0.020 . 1 . . . . A 73 LEU H . 34781 1 548 . 1 . 1 57 57 LEU HA H 1 4.065 0.020 . 1 . . . . A 73 LEU HA . 34781 1 549 . 1 . 1 57 57 LEU HB2 H 1 2.100 0.020 . 2 . . . . A 73 LEU HB2 . 34781 1 550 . 1 . 1 57 57 LEU HB3 H 1 1.199 0.020 . 2 . . . . A 73 LEU HB3 . 34781 1 551 . 1 . 1 57 57 LEU HG H 1 1.829 0.020 . 1 . . . . A 73 LEU HG . 34781 1 552 . 1 . 1 57 57 LEU HD11 H 1 1.091 0.020 . 2 . . . . A 73 LEU HD11 . 34781 1 553 . 1 . 1 57 57 LEU HD12 H 1 1.091 0.020 . 2 . . . . A 73 LEU HD12 . 34781 1 554 . 1 . 1 57 57 LEU HD13 H 1 1.091 0.020 . 2 . . . . A 73 LEU HD13 . 34781 1 555 . 1 . 1 57 57 LEU HD21 H 1 0.837 0.020 . 2 . . . . A 73 LEU HD21 . 34781 1 556 . 1 . 1 57 57 LEU HD22 H 1 0.837 0.020 . 2 . . . . A 73 LEU HD22 . 34781 1 557 . 1 . 1 57 57 LEU HD23 H 1 0.837 0.020 . 2 . . . . A 73 LEU HD23 . 34781 1 558 . 1 . 1 57 57 LEU C C 13 175.481 0.400 . 1 . . . . A 73 LEU C . 34781 1 559 . 1 . 1 57 57 LEU CA C 13 53.802 0.400 . 1 . . . . A 73 LEU CA . 34781 1 560 . 1 . 1 57 57 LEU CB C 13 39.755 0.400 . 1 . . . . A 73 LEU CB . 34781 1 561 . 1 . 1 57 57 LEU CG C 13 26.940 0.400 . 1 . . . . A 73 LEU CG . 34781 1 562 . 1 . 1 57 57 LEU CD1 C 13 26.260 0.400 . 2 . . . . A 73 LEU CD1 . 34781 1 563 . 1 . 1 57 57 LEU CD2 C 13 24.237 0.400 . 2 . . . . A 73 LEU CD2 . 34781 1 564 . 1 . 1 57 57 LEU N N 15 117.876 0.400 . 1 . . . . A 73 LEU N . 34781 1 565 . 1 . 1 58 58 THR H H 1 8.059 0.020 . 1 . . . . A 74 THR H . 34781 1 566 . 1 . 1 58 58 THR HA H 1 4.657 0.020 . 1 . . . . A 74 THR HA . 34781 1 567 . 1 . 1 58 58 THR HB H 1 4.512 0.020 . 1 . . . . A 74 THR HB . 34781 1 568 . 1 . 1 58 58 THR HG1 H 1 4.634 0.020 . 1 . . . . A 74 THR HG1 . 34781 1 569 . 1 . 1 58 58 THR HG21 H 1 1.096 0.020 . 1 . . . . A 74 THR HG21 . 34781 1 570 . 1 . 1 58 58 THR HG22 H 1 1.096 0.020 . 1 . . . . A 74 THR HG22 . 34781 1 571 . 1 . 1 58 58 THR HG23 H 1 1.096 0.020 . 1 . . . . A 74 THR HG23 . 34781 1 572 . 1 . 1 58 58 THR CA C 13 60.241 0.400 . 1 . . . . A 74 THR CA . 34781 1 573 . 1 . 1 58 58 THR CB C 13 72.133 0.400 . 1 . . . . A 74 THR CB . 34781 1 574 . 1 . 1 58 58 THR CG2 C 13 21.187 0.400 . 1 . . . . A 74 THR CG2 . 34781 1 575 . 1 . 1 58 58 THR N N 15 113.803 0.400 . 1 . . . . A 74 THR N . 34781 1 576 . 1 . 1 60 60 ASN HA H 1 4.879 0.020 . 1 . . . . A 76 ASN HA . 34781 1 577 . 1 . 1 60 60 ASN HB2 H 1 2.926 0.020 . 2 . . . . A 76 ASN HB2 . 34781 1 578 . 1 . 1 60 60 ASN HB3 H 1 2.626 0.020 . 2 . . . . A 76 ASN HB3 . 34781 1 579 . 1 . 1 60 60 ASN HD21 H 1 7.542 0.020 . 2 . . . . A 76 ASN HD21 . 34781 1 580 . 1 . 1 60 60 ASN HD22 H 1 6.882 0.020 . 2 . . . . A 76 ASN HD22 . 34781 1 581 . 1 . 1 60 60 ASN C C 13 174.870 0.400 . 1 . . . . A 76 ASN C . 34781 1 582 . 1 . 1 60 60 ASN CA C 13 52.597 0.400 . 1 . . . . A 76 ASN CA . 34781 1 583 . 1 . 1 60 60 ASN CB C 13 39.142 0.400 . 1 . . . . A 76 ASN CB . 34781 1 584 . 1 . 1 60 60 ASN ND2 N 15 112.713 0.400 . 1 . . . . A 76 ASN ND2 . 34781 1 585 . 1 . 1 61 61 THR H H 1 7.365 0.020 . 1 . . . . A 77 THR H . 34781 1 586 . 1 . 1 61 61 THR HA H 1 3.637 0.020 . 1 . . . . A 77 THR HA . 34781 1 587 . 1 . 1 61 61 THR HB H 1 3.690 0.020 . 1 . . . . A 77 THR HB . 34781 1 588 . 1 . 1 61 61 THR HG1 H 1 4.634 0.020 . 1 . . . . A 77 THR HG1 . 34781 1 589 . 1 . 1 61 61 THR HG21 H 1 -0.220 0.020 . 1 . . . . A 77 THR HG21 . 34781 1 590 . 1 . 1 61 61 THR HG22 H 1 -0.220 0.020 . 1 . . . . A 77 THR HG22 . 34781 1 591 . 1 . 1 61 61 THR HG23 H 1 -0.220 0.020 . 1 . . . . A 77 THR HG23 . 34781 1 592 . 1 . 1 61 61 THR C C 13 175.236 0.400 . 1 . . . . A 77 THR C . 34781 1 593 . 1 . 1 61 61 THR CA C 13 65.269 0.400 . 1 . . . . A 77 THR CA . 34781 1 594 . 1 . 1 61 61 THR CB C 13 69.348 0.400 . 1 . . . . A 77 THR CB . 34781 1 595 . 1 . 1 61 61 THR CG2 C 13 19.315 0.400 . 1 . . . . A 77 THR CG2 . 34781 1 596 . 1 . 1 61 61 THR N N 15 119.184 0.400 . 1 . . . . A 77 THR N . 34781 1 597 . 1 . 1 62 62 THR H H 1 9.009 0.020 . 1 . . . . A 78 THR H . 34781 1 598 . 1 . 1 62 62 THR HA H 1 4.347 0.020 . 1 . . . . A 78 THR HA . 34781 1 599 . 1 . 1 62 62 THR HB H 1 4.214 0.020 . 1 . . . . A 78 THR HB . 34781 1 600 . 1 . 1 62 62 THR HG1 H 1 4.634 0.020 . 1 . . . . A 78 THR HG1 . 34781 1 601 . 1 . 1 62 62 THR HG21 H 1 1.111 0.020 . 1 . . . . A 78 THR HG21 . 34781 1 602 . 1 . 1 62 62 THR HG22 H 1 1.111 0.020 . 1 . . . . A 78 THR HG22 . 34781 1 603 . 1 . 1 62 62 THR HG23 H 1 1.111 0.020 . 1 . . . . A 78 THR HG23 . 34781 1 604 . 1 . 1 62 62 THR C C 13 172.729 0.400 . 1 . . . . A 78 THR C . 34781 1 605 . 1 . 1 62 62 THR CA C 13 57.663 0.400 . 1 . . . . A 78 THR CA . 34781 1 606 . 1 . 1 62 62 THR CB C 13 70.186 0.400 . 1 . . . . A 78 THR CB . 34781 1 607 . 1 . 1 62 62 THR CG2 C 13 20.461 0.400 . 1 . . . . A 78 THR CG2 . 34781 1 608 . 1 . 1 62 62 THR N N 15 124.781 0.400 . 1 . . . . A 78 THR N . 34781 1 609 . 1 . 1 63 63 TRP H H 1 8.716 0.020 . 1 . . . . A 79 TRP H . 34781 1 610 . 1 . 1 63 63 TRP HA H 1 5.345 0.020 . 1 . . . . A 79 TRP HA . 34781 1 611 . 1 . 1 63 63 TRP HB2 H 1 2.982 0.020 . 2 . . . . A 79 TRP HB2 . 34781 1 612 . 1 . 1 63 63 TRP HB3 H 1 2.763 0.020 . 2 . . . . A 79 TRP HB3 . 34781 1 613 . 1 . 1 63 63 TRP HD1 H 1 7.142 0.020 . 1 . . . . A 79 TRP HD1 . 34781 1 614 . 1 . 1 63 63 TRP HE1 H 1 9.911 0.020 . 1 . . . . A 79 TRP HE1 . 34781 1 615 . 1 . 1 63 63 TRP HZ2 H 1 7.324 0.020 . 1 . . . . A 79 TRP HZ2 . 34781 1 616 . 1 . 1 63 63 TRP HZ3 H 1 6.613 0.020 . 1 . . . . A 79 TRP HZ3 . 34781 1 617 . 1 . 1 63 63 TRP HH2 H 1 6.790 0.020 . 1 . . . . A 79 TRP HH2 . 34781 1 618 . 1 . 1 63 63 TRP C C 13 177.258 0.400 . 1 . . . . A 79 TRP C . 34781 1 619 . 1 . 1 63 63 TRP CA C 13 52.673 0.400 . 1 . . . . A 79 TRP CA . 34781 1 620 . 1 . 1 63 63 TRP CB C 13 35.278 0.400 . 1 . . . . A 79 TRP CB . 34781 1 621 . 1 . 1 63 63 TRP CD1 C 13 123.744 0.400 . 1 . . . . A 79 TRP CD1 . 34781 1 622 . 1 . 1 63 63 TRP CZ2 C 13 113.720 0.400 . 1 . . . . A 79 TRP CZ2 . 34781 1 623 . 1 . 1 63 63 TRP CZ3 C 13 121.347 0.400 . 1 . . . . A 79 TRP CZ3 . 34781 1 624 . 1 . 1 63 63 TRP CH2 C 13 124.184 0.400 . 1 . . . . A 79 TRP CH2 . 34781 1 625 . 1 . 1 63 63 TRP N N 15 123.556 0.400 . 1 . . . . A 79 TRP N . 34781 1 626 . 1 . 1 63 63 TRP NE1 N 15 125.893 0.400 . 1 . . . . A 79 TRP NE1 . 34781 1 627 . 1 . 1 64 64 THR H H 1 8.540 0.020 . 1 . . . . A 80 THR H . 34781 1 628 . 1 . 1 64 64 THR HA H 1 5.233 0.020 . 1 . . . . A 80 THR HA . 34781 1 629 . 1 . 1 64 64 THR HB H 1 4.263 0.020 . 1 . . . . A 80 THR HB . 34781 1 630 . 1 . 1 64 64 THR HG1 H 1 6.093 0.020 . 1 . . . . A 80 THR HG1 . 34781 1 631 . 1 . 1 64 64 THR HG21 H 1 1.179 0.020 . 1 . . . . A 80 THR HG21 . 34781 1 632 . 1 . 1 64 64 THR HG22 H 1 1.179 0.020 . 1 . . . . A 80 THR HG22 . 34781 1 633 . 1 . 1 64 64 THR HG23 H 1 1.179 0.020 . 1 . . . . A 80 THR HG23 . 34781 1 634 . 1 . 1 64 64 THR C C 13 172.738 0.400 . 1 . . . . A 80 THR C . 34781 1 635 . 1 . 1 64 64 THR CA C 13 62.526 0.400 . 1 . . . . A 80 THR CA . 34781 1 636 . 1 . 1 64 64 THR CB C 13 69.842 0.400 . 1 . . . . A 80 THR CB . 34781 1 637 . 1 . 1 64 64 THR CG2 C 13 20.683 0.400 . 1 . . . . A 80 THR CG2 . 34781 1 638 . 1 . 1 64 64 THR N N 15 116.104 0.400 . 1 . . . . A 80 THR N . 34781 1 639 . 1 . 1 65 65 ILE H H 1 9.014 0.020 . 1 . . . . A 81 ILE H . 34781 1 640 . 1 . 1 65 65 ILE HA H 1 4.496 0.020 . 1 . . . . A 81 ILE HA . 34781 1 641 . 1 . 1 65 65 ILE HB H 1 1.604 0.020 . 1 . . . . A 81 ILE HB . 34781 1 642 . 1 . 1 65 65 ILE HG12 H 1 1.629 0.020 . 2 . . . . A 81 ILE HG12 . 34781 1 643 . 1 . 1 65 65 ILE HG13 H 1 0.937 0.020 . 2 . . . . A 81 ILE HG13 . 34781 1 644 . 1 . 1 65 65 ILE HG21 H 1 0.699 0.020 . 1 . . . . A 81 ILE HG21 . 34781 1 645 . 1 . 1 65 65 ILE HG22 H 1 0.699 0.020 . 1 . . . . A 81 ILE HG22 . 34781 1 646 . 1 . 1 65 65 ILE HG23 H 1 0.699 0.020 . 1 . . . . A 81 ILE HG23 . 34781 1 647 . 1 . 1 65 65 ILE HD11 H 1 0.742 0.020 . 1 . . . . A 81 ILE HD11 . 34781 1 648 . 1 . 1 65 65 ILE HD12 H 1 0.742 0.020 . 1 . . . . A 81 ILE HD12 . 34781 1 649 . 1 . 1 65 65 ILE HD13 H 1 0.742 0.020 . 1 . . . . A 81 ILE HD13 . 34781 1 650 . 1 . 1 65 65 ILE C C 13 173.055 0.400 . 1 . . . . A 81 ILE C . 34781 1 651 . 1 . 1 65 65 ILE CA C 13 60.538 0.400 . 1 . . . . A 81 ILE CA . 34781 1 652 . 1 . 1 65 65 ILE CB C 13 41.426 0.400 . 1 . . . . A 81 ILE CB . 34781 1 653 . 1 . 1 65 65 ILE CG1 C 13 28.656 0.400 . 1 . . . . A 81 ILE CG1 . 34781 1 654 . 1 . 1 65 65 ILE CG2 C 13 17.579 0.400 . 1 . . . . A 81 ILE CG2 . 34781 1 655 . 1 . 1 65 65 ILE CD1 C 13 13.367 0.400 . 1 . . . . A 81 ILE CD1 . 34781 1 656 . 1 . 1 65 65 ILE N N 15 128.103 0.400 . 1 . . . . A 81 ILE N . 34781 1 657 . 1 . 1 66 66 LEU H H 1 9.137 0.020 . 1 . . . . A 82 LEU H . 34781 1 658 . 1 . 1 66 66 LEU HA H 1 5.280 0.020 . 1 . . . . A 82 LEU HA . 34781 1 659 . 1 . 1 66 66 LEU HB2 H 1 2.167 0.020 . 2 . . . . A 82 LEU HB2 . 34781 1 660 . 1 . 1 66 66 LEU HB3 H 1 1.158 0.020 . 2 . . . . A 82 LEU HB3 . 34781 1 661 . 1 . 1 66 66 LEU HG H 1 1.304 0.020 . 1 . . . . A 82 LEU HG . 34781 1 662 . 1 . 1 66 66 LEU HD11 H 1 0.237 0.020 . 2 . . . . A 82 LEU HD11 . 34781 1 663 . 1 . 1 66 66 LEU HD12 H 1 0.237 0.020 . 2 . . . . A 82 LEU HD12 . 34781 1 664 . 1 . 1 66 66 LEU HD13 H 1 0.237 0.020 . 2 . . . . A 82 LEU HD13 . 34781 1 665 . 1 . 1 66 66 LEU HD21 H 1 -0.037 0.020 . 2 . . . . A 82 LEU HD21 . 34781 1 666 . 1 . 1 66 66 LEU HD22 H 1 -0.037 0.020 . 2 . . . . A 82 LEU HD22 . 34781 1 667 . 1 . 1 66 66 LEU HD23 H 1 -0.037 0.020 . 2 . . . . A 82 LEU HD23 . 34781 1 668 . 1 . 1 66 66 LEU C C 13 174.317 0.400 . 1 . . . . A 82 LEU C . 34781 1 669 . 1 . 1 66 66 LEU CA C 13 52.895 0.400 . 1 . . . . A 82 LEU CA . 34781 1 670 . 1 . 1 66 66 LEU CB C 13 41.604 0.400 . 1 . . . . A 82 LEU CB . 34781 1 671 . 1 . 1 66 66 LEU CG C 13 27.020 0.400 . 1 . . . . A 82 LEU CG . 34781 1 672 . 1 . 1 66 66 LEU CD1 C 13 23.925 0.400 . 2 . . . . A 82 LEU CD1 . 34781 1 673 . 1 . 1 66 66 LEU CD2 C 13 23.881 0.400 . 2 . . . . A 82 LEU CD2 . 34781 1 674 . 1 . 1 66 66 LEU N N 15 128.173 0.400 . 1 . . . . A 82 LEU N . 34781 1 675 . 1 . 1 67 67 ALA H H 1 8.876 0.020 . 1 . . . . A 83 ALA H . 34781 1 676 . 1 . 1 67 67 ALA HA H 1 5.105 0.020 . 1 . . . . A 83 ALA HA . 34781 1 677 . 1 . 1 67 67 ALA HB1 H 1 1.331 0.020 . 1 . . . . A 83 ALA HB1 . 34781 1 678 . 1 . 1 67 67 ALA HB2 H 1 1.331 0.020 . 1 . . . . A 83 ALA HB2 . 34781 1 679 . 1 . 1 67 67 ALA HB3 H 1 1.331 0.020 . 1 . . . . A 83 ALA HB3 . 34781 1 680 . 1 . 1 67 67 ALA CA C 13 48.267 0.400 . 1 . . . . A 83 ALA CA . 34781 1 681 . 1 . 1 67 67 ALA CB C 13 21.641 0.400 . 1 . . . . A 83 ALA CB . 34781 1 682 . 1 . 1 67 67 ALA N N 15 123.978 0.400 . 1 . . . . A 83 ALA N . 34781 1 683 . 1 . 1 68 68 PRO HA H 1 5.071 0.020 . 1 . . . . A 84 PRO HA . 34781 1 684 . 1 . 1 68 68 PRO HB2 H 1 1.962 0.020 . 2 . . . . A 84 PRO HB2 . 34781 1 685 . 1 . 1 68 68 PRO HB3 H 1 1.465 0.020 . 2 . . . . A 84 PRO HB3 . 34781 1 686 . 1 . 1 68 68 PRO HG2 H 1 1.745 0.020 . 2 . . . . A 84 PRO HG2 . 34781 1 687 . 1 . 1 68 68 PRO HG3 H 1 1.269 0.020 . 2 . . . . A 84 PRO HG3 . 34781 1 688 . 1 . 1 68 68 PRO HD2 H 1 3.524 0.020 . 2 . . . . A 84 PRO HD2 . 34781 1 689 . 1 . 1 68 68 PRO HD3 H 1 3.524 0.020 . 2 . . . . A 84 PRO HD3 . 34781 1 690 . 1 . 1 68 68 PRO C C 13 177.370 0.400 . 1 . . . . A 84 PRO C . 34781 1 691 . 1 . 1 68 68 PRO CA C 13 61.139 0.400 . 1 . . . . A 84 PRO CA . 34781 1 692 . 1 . 1 68 68 PRO CB C 13 31.553 0.400 . 1 . . . . A 84 PRO CB . 34781 1 693 . 1 . 1 68 68 PRO CG C 13 28.052 0.400 . 1 . . . . A 84 PRO CG . 34781 1 694 . 1 . 1 68 68 PRO CD C 13 51.337 0.400 . 1 . . . . A 84 PRO CD . 34781 1 695 . 1 . 1 69 69 THR H H 1 7.202 0.020 . 1 . . . . A 85 THR H . 34781 1 696 . 1 . 1 69 69 THR HA H 1 4.734 0.020 . 1 . . . . A 85 THR HA . 34781 1 697 . 1 . 1 69 69 THR HB H 1 5.092 0.020 . 1 . . . . A 85 THR HB . 34781 1 698 . 1 . 1 69 69 THR HG1 H 1 4.634 0.020 . 1 . . . . A 85 THR HG1 . 34781 1 699 . 1 . 1 69 69 THR HG21 H 1 1.440 0.020 . 1 . . . . A 85 THR HG21 . 34781 1 700 . 1 . 1 69 69 THR HG22 H 1 1.440 0.020 . 1 . . . . A 85 THR HG22 . 34781 1 701 . 1 . 1 69 69 THR HG23 H 1 1.440 0.020 . 1 . . . . A 85 THR HG23 . 34781 1 702 . 1 . 1 69 69 THR C C 13 176.305 0.400 . 1 . . . . A 85 THR C . 34781 1 703 . 1 . 1 69 69 THR CA C 13 61.239 0.400 . 1 . . . . A 85 THR CA . 34781 1 704 . 1 . 1 69 69 THR CB C 13 71.763 0.400 . 1 . . . . A 85 THR CB . 34781 1 705 . 1 . 1 69 69 THR CG2 C 13 23.028 0.400 . 1 . . . . A 85 THR CG2 . 34781 1 706 . 1 . 1 69 69 THR N N 15 109.733 0.400 . 1 . . . . A 85 THR N . 34781 1 707 . 1 . 1 70 70 ASN H H 1 9.268 0.020 . 1 . . . . A 86 ASN H . 34781 1 708 . 1 . 1 70 70 ASN HA H 1 4.513 0.020 . 1 . . . . A 86 ASN HA . 34781 1 709 . 1 . 1 70 70 ASN HB2 H 1 3.119 0.020 . 2 . . . . A 86 ASN HB2 . 34781 1 710 . 1 . 1 70 70 ASN HB3 H 1 3.047 0.020 . 2 . . . . A 86 ASN HB3 . 34781 1 711 . 1 . 1 70 70 ASN C C 13 179.279 0.400 . 1 . . . . A 86 ASN C . 34781 1 712 . 1 . 1 70 70 ASN CA C 13 56.655 0.400 . 1 . . . . A 86 ASN CA . 34781 1 713 . 1 . 1 70 70 ASN CB C 13 37.060 0.400 . 1 . . . . A 86 ASN CB . 34781 1 714 . 1 . 1 70 70 ASN N N 15 121.045 0.400 . 1 . . . . A 86 ASN N . 34781 1 715 . 1 . 1 71 71 ASP HA H 1 4.514 0.020 . 1 . . . . A 87 ASP HA . 34781 1 716 . 1 . 1 71 71 ASP HB2 H 1 2.739 0.020 . 2 . . . . A 87 ASP HB2 . 34781 1 717 . 1 . 1 71 71 ASP HB3 H 1 2.739 0.020 . 2 . . . . A 87 ASP HB3 . 34781 1 718 . 1 . 1 71 71 ASP C C 13 177.353 0.400 . 1 . . . . A 87 ASP C . 34781 1 719 . 1 . 1 71 71 ASP CA C 13 57.250 0.400 . 1 . . . . A 87 ASP CA . 34781 1 720 . 1 . 1 71 71 ASP CB C 13 40.447 0.400 . 1 . . . . A 87 ASP CB . 34781 1 721 . 1 . 1 72 72 ALA H H 1 7.528 0.020 . 1 . . . . A 88 ALA H . 34781 1 722 . 1 . 1 72 72 ALA HA H 1 3.977 0.020 . 1 . . . . A 88 ALA HA . 34781 1 723 . 1 . 1 72 72 ALA HB1 H 1 1.349 0.020 . 1 . . . . A 88 ALA HB1 . 34781 1 724 . 1 . 1 72 72 ALA HB2 H 1 1.349 0.020 . 1 . . . . A 88 ALA HB2 . 34781 1 725 . 1 . 1 72 72 ALA HB3 H 1 1.349 0.020 . 1 . . . . A 88 ALA HB3 . 34781 1 726 . 1 . 1 72 72 ALA C C 13 179.134 0.400 . 1 . . . . A 88 ALA C . 34781 1 727 . 1 . 1 72 72 ALA CA C 13 55.746 0.400 . 1 . . . . A 88 ALA CA . 34781 1 728 . 1 . 1 72 72 ALA CB C 13 18.728 0.400 . 1 . . . . A 88 ALA CB . 34781 1 729 . 1 . 1 72 72 ALA N N 15 124.209 0.400 . 1 . . . . A 88 ALA N . 34781 1 730 . 1 . 1 73 73 PHE H H 1 8.019 0.020 . 1 . . . . A 89 PHE H . 34781 1 731 . 1 . 1 73 73 PHE HA H 1 3.975 0.020 . 1 . . . . A 89 PHE HA . 34781 1 732 . 1 . 1 73 73 PHE HB2 H 1 3.133 0.020 . 2 . . . . A 89 PHE HB2 . 34781 1 733 . 1 . 1 73 73 PHE HB3 H 1 2.950 0.020 . 2 . . . . A 89 PHE HB3 . 34781 1 734 . 1 . 1 73 73 PHE HD1 H 1 7.217 0.020 . 1 . . . . A 89 PHE HD1 . 34781 1 735 . 1 . 1 73 73 PHE HD2 H 1 7.217 0.020 . 1 . . . . A 89 PHE HD2 . 34781 1 736 . 1 . 1 73 73 PHE HE1 H 1 6.971 0.020 . 1 . . . . A 89 PHE HE1 . 34781 1 737 . 1 . 1 73 73 PHE HE2 H 1 6.971 0.020 . 1 . . . . A 89 PHE HE2 . 34781 1 738 . 1 . 1 73 73 PHE HZ H 1 6.698 0.020 . 1 . . . . A 89 PHE HZ . 34781 1 739 . 1 . 1 73 73 PHE C C 13 177.796 0.400 . 1 . . . . A 89 PHE C . 34781 1 740 . 1 . 1 73 73 PHE CA C 13 62.598 0.400 . 1 . . . . A 89 PHE CA . 34781 1 741 . 1 . 1 73 73 PHE CB C 13 40.573 0.400 . 1 . . . . A 89 PHE CB . 34781 1 742 . 1 . 1 73 73 PHE CD1 C 13 132.537 0.400 . 3 . . . . A 89 PHE CD1 . 34781 1 743 . 1 . 1 73 73 PHE CE1 C 13 130.625 0.400 . 3 . . . . A 89 PHE CE1 . 34781 1 744 . 1 . 1 73 73 PHE CZ C 13 127.208 0.400 . 1 . . . . A 89 PHE CZ . 34781 1 745 . 1 . 1 73 73 PHE N N 15 114.337 0.400 . 1 . . . . A 89 PHE N . 34781 1 746 . 1 . 1 74 74 ALA H H 1 8.550 0.020 . 1 . . . . A 90 ALA H . 34781 1 747 . 1 . 1 74 74 ALA HA H 1 4.135 0.020 . 1 . . . . A 90 ALA HA . 34781 1 748 . 1 . 1 74 74 ALA HB1 H 1 1.591 0.020 . 1 . . . . A 90 ALA HB1 . 34781 1 749 . 1 . 1 74 74 ALA HB2 H 1 1.591 0.020 . 1 . . . . A 90 ALA HB2 . 34781 1 750 . 1 . 1 74 74 ALA HB3 H 1 1.591 0.020 . 1 . . . . A 90 ALA HB3 . 34781 1 751 . 1 . 1 74 74 ALA C C 13 181.170 0.400 . 1 . . . . A 90 ALA C . 34781 1 752 . 1 . 1 74 74 ALA CA C 13 55.708 0.400 . 1 . . . . A 90 ALA CA . 34781 1 753 . 1 . 1 74 74 ALA CB C 13 18.392 0.400 . 1 . . . . A 90 ALA CB . 34781 1 754 . 1 . 1 74 74 ALA N N 15 120.002 0.400 . 1 . . . . A 90 ALA N . 34781 1 755 . 1 . 1 75 75 LYS H H 1 8.219 0.020 . 1 . . . . A 91 LYS H . 34781 1 756 . 1 . 1 75 75 LYS HA H 1 4.118 0.020 . 1 . . . . A 91 LYS HA . 34781 1 757 . 1 . 1 75 75 LYS HB2 H 1 1.906 0.020 . 2 . . . . A 91 LYS HB2 . 34781 1 758 . 1 . 1 75 75 LYS HB3 H 1 2.039 0.020 . 2 . . . . A 91 LYS HB3 . 34781 1 759 . 1 . 1 75 75 LYS HG2 H 1 1.583 0.020 . 2 . . . . A 91 LYS HG2 . 34781 1 760 . 1 . 1 75 75 LYS HG3 H 1 1.328 0.020 . 2 . . . . A 91 LYS HG3 . 34781 1 761 . 1 . 1 75 75 LYS HD2 H 1 1.735 0.020 . 2 . . . . A 91 LYS HD2 . 34781 1 762 . 1 . 1 75 75 LYS HD3 H 1 1.735 0.020 . 2 . . . . A 91 LYS HD3 . 34781 1 763 . 1 . 1 75 75 LYS HE2 H 1 2.990 0.020 . 2 . . . . A 91 LYS HE2 . 34781 1 764 . 1 . 1 75 75 LYS HE3 H 1 2.990 0.020 . 2 . . . . A 91 LYS HE3 . 34781 1 765 . 1 . 1 75 75 LYS C C 13 178.954 0.400 . 1 . . . . A 91 LYS C . 34781 1 766 . 1 . 1 75 75 LYS CA C 13 59.075 0.400 . 1 . . . . A 91 LYS CA . 34781 1 767 . 1 . 1 75 75 LYS CB C 13 32.549 0.400 . 1 . . . . A 91 LYS CB . 34781 1 768 . 1 . 1 75 75 LYS CG C 13 25.064 0.400 . 1 . . . . A 91 LYS CG . 34781 1 769 . 1 . 1 75 75 LYS CD C 13 29.580 0.400 . 1 . . . . A 91 LYS CD . 34781 1 770 . 1 . 1 75 75 LYS CE C 13 42.400 0.400 . 1 . . . . A 91 LYS CE . 34781 1 771 . 1 . 1 75 75 LYS N N 15 117.358 0.400 . 1 . . . . A 91 LYS N . 34781 1 772 . 1 . 1 76 76 ARG H H 1 8.145 0.020 . 1 . . . . A 92 ARG H . 34781 1 773 . 1 . 1 76 76 ARG HA H 1 3.977 0.020 . 1 . . . . A 92 ARG HA . 34781 1 774 . 1 . 1 76 76 ARG HB2 H 1 2.520 0.020 . 2 . . . . A 92 ARG HB2 . 34781 1 775 . 1 . 1 76 76 ARG HB3 H 1 1.764 0.020 . 2 . . . . A 92 ARG HB3 . 34781 1 776 . 1 . 1 76 76 ARG HG2 H 1 1.473 0.020 . 2 . . . . A 92 ARG HG2 . 34781 1 777 . 1 . 1 76 76 ARG HG3 H 1 1.473 0.020 . 2 . . . . A 92 ARG HG3 . 34781 1 778 . 1 . 1 76 76 ARG HD2 H 1 3.280 0.020 . 2 . . . . A 92 ARG HD2 . 34781 1 779 . 1 . 1 76 76 ARG HD3 H 1 2.966 0.020 . 2 . . . . A 92 ARG HD3 . 34781 1 780 . 1 . 1 76 76 ARG C C 13 178.666 0.400 . 1 . . . . A 92 ARG C . 34781 1 781 . 1 . 1 76 76 ARG CA C 13 56.425 0.400 . 1 . . . . A 92 ARG CA . 34781 1 782 . 1 . 1 76 76 ARG CB C 13 28.079 0.400 . 1 . . . . A 92 ARG CB . 34781 1 783 . 1 . 1 76 76 ARG CG C 13 22.984 0.400 . 1 . . . . A 92 ARG CG . 34781 1 784 . 1 . 1 76 76 ARG CD C 13 40.333 0.400 . 1 . . . . A 92 ARG CD . 34781 1 785 . 1 . 1 76 76 ARG N N 15 119.486 0.400 . 1 . . . . A 92 ARG N . 34781 1 786 . 1 . 1 77 77 LEU H H 1 8.897 0.020 . 1 . . . . A 93 LEU H . 34781 1 787 . 1 . 1 77 77 LEU HA H 1 4.089 0.020 . 1 . . . . A 93 LEU HA . 34781 1 788 . 1 . 1 77 77 LEU HB2 H 1 2.000 0.020 . 2 . . . . A 93 LEU HB2 . 34781 1 789 . 1 . 1 77 77 LEU HB3 H 1 1.621 0.020 . 2 . . . . A 93 LEU HB3 . 34781 1 790 . 1 . 1 77 77 LEU HG H 1 2.121 0.020 . 1 . . . . A 93 LEU HG . 34781 1 791 . 1 . 1 77 77 LEU HD11 H 1 0.904 0.020 . 2 . . . . A 93 LEU HD11 . 34781 1 792 . 1 . 1 77 77 LEU HD12 H 1 0.904 0.020 . 2 . . . . A 93 LEU HD12 . 34781 1 793 . 1 . 1 77 77 LEU HD13 H 1 0.904 0.020 . 2 . . . . A 93 LEU HD13 . 34781 1 794 . 1 . 1 77 77 LEU HD21 H 1 0.807 0.020 . 2 . . . . A 93 LEU HD21 . 34781 1 795 . 1 . 1 77 77 LEU HD22 H 1 0.807 0.020 . 2 . . . . A 93 LEU HD22 . 34781 1 796 . 1 . 1 77 77 LEU HD23 H 1 0.807 0.020 . 2 . . . . A 93 LEU HD23 . 34781 1 797 . 1 . 1 77 77 LEU C C 13 179.556 0.400 . 1 . . . . A 93 LEU C . 34781 1 798 . 1 . 1 77 77 LEU CA C 13 58.569 0.400 . 1 . . . . A 93 LEU CA . 34781 1 799 . 1 . 1 77 77 LEU CB C 13 39.184 0.400 . 1 . . . . A 93 LEU CB . 34781 1 800 . 1 . 1 77 77 LEU CG C 13 27.735 0.400 . 1 . . . . A 93 LEU CG . 34781 1 801 . 1 . 1 77 77 LEU CD1 C 13 25.049 0.400 . 2 . . . . A 93 LEU CD1 . 34781 1 802 . 1 . 1 77 77 LEU CD2 C 13 22.359 0.400 . 2 . . . . A 93 LEU CD2 . 34781 1 803 . 1 . 1 77 77 LEU N N 15 117.078 0.400 . 1 . . . . A 93 LEU N . 34781 1 804 . 1 . 1 78 78 ALA H H 1 7.454 0.020 . 1 . . . . A 94 ALA H . 34781 1 805 . 1 . 1 78 78 ALA HA H 1 4.387 0.020 . 1 . . . . A 94 ALA HA . 34781 1 806 . 1 . 1 78 78 ALA HB1 H 1 1.630 0.020 . 1 . . . . A 94 ALA HB1 . 34781 1 807 . 1 . 1 78 78 ALA HB2 H 1 1.630 0.020 . 1 . . . . A 94 ALA HB2 . 34781 1 808 . 1 . 1 78 78 ALA HB3 H 1 1.630 0.020 . 1 . . . . A 94 ALA HB3 . 34781 1 809 . 1 . 1 78 78 ALA C C 13 182.072 0.400 . 1 . . . . A 94 ALA C . 34781 1 810 . 1 . 1 78 78 ALA CA C 13 55.601 0.400 . 1 . . . . A 94 ALA CA . 34781 1 811 . 1 . 1 78 78 ALA CB C 13 18.054 0.400 . 1 . . . . A 94 ALA CB . 34781 1 812 . 1 . 1 78 78 ALA N N 15 119.828 0.400 . 1 . . . . A 94 ALA N . 34781 1 813 . 1 . 1 79 79 LYS H H 1 7.399 0.020 . 1 . . . . A 95 LYS H . 34781 1 814 . 1 . 1 79 79 LYS HA H 1 4.306 0.020 . 1 . . . . A 95 LYS HA . 34781 1 815 . 1 . 1 79 79 LYS HB2 H 1 1.901 0.020 . 2 . . . . A 95 LYS HB2 . 34781 1 816 . 1 . 1 79 79 LYS HB3 H 1 1.901 0.020 . 2 . . . . A 95 LYS HB3 . 34781 1 817 . 1 . 1 79 79 LYS HG2 H 1 1.486 0.020 . 2 . . . . A 95 LYS HG2 . 34781 1 818 . 1 . 1 79 79 LYS HG3 H 1 1.486 0.020 . 2 . . . . A 95 LYS HG3 . 34781 1 819 . 1 . 1 79 79 LYS HD2 H 1 1.395 0.020 . 2 . . . . A 95 LYS HD2 . 34781 1 820 . 1 . 1 79 79 LYS HD3 H 1 1.395 0.020 . 2 . . . . A 95 LYS HD3 . 34781 1 821 . 1 . 1 79 79 LYS HE2 H 1 2.729 0.020 . 2 . . . . A 95 LYS HE2 . 34781 1 822 . 1 . 1 79 79 LYS HE3 H 1 2.729 0.020 . 2 . . . . A 95 LYS HE3 . 34781 1 823 . 1 . 1 79 79 LYS C C 13 177.863 0.400 . 1 . . . . A 95 LYS C . 34781 1 824 . 1 . 1 79 79 LYS CA C 13 58.249 0.400 . 1 . . . . A 95 LYS CA . 34781 1 825 . 1 . 1 79 79 LYS CB C 13 32.215 0.400 . 1 . . . . A 95 LYS CB . 34781 1 826 . 1 . 1 79 79 LYS CG C 13 24.918 0.400 . 1 . . . . A 95 LYS CG . 34781 1 827 . 1 . 1 79 79 LYS CD C 13 28.716 0.400 . 1 . . . . A 95 LYS CD . 34781 1 828 . 1 . 1 79 79 LYS CE C 13 41.697 0.400 . 1 . . . . A 95 LYS CE . 34781 1 829 . 1 . 1 79 79 LYS N N 15 117.668 0.400 . 1 . . . . A 95 LYS N . 34781 1 830 . 1 . 1 80 80 LEU H H 1 7.636 0.020 . 1 . . . . A 96 LEU H . 34781 1 831 . 1 . 1 80 80 LEU HA H 1 4.534 0.020 . 1 . . . . A 96 LEU HA . 34781 1 832 . 1 . 1 80 80 LEU HB2 H 1 1.939 0.020 . 2 . . . . A 96 LEU HB2 . 34781 1 833 . 1 . 1 80 80 LEU HB3 H 1 1.866 0.020 . 2 . . . . A 96 LEU HB3 . 34781 1 834 . 1 . 1 80 80 LEU HG H 1 1.959 0.020 . 1 . . . . A 96 LEU HG . 34781 1 835 . 1 . 1 80 80 LEU HD11 H 1 1.065 0.020 . 2 . . . . A 96 LEU HD11 . 34781 1 836 . 1 . 1 80 80 LEU HD12 H 1 1.065 0.020 . 2 . . . . A 96 LEU HD12 . 34781 1 837 . 1 . 1 80 80 LEU HD13 H 1 1.065 0.020 . 2 . . . . A 96 LEU HD13 . 34781 1 838 . 1 . 1 80 80 LEU HD21 H 1 0.957 0.020 . 2 . . . . A 96 LEU HD21 . 34781 1 839 . 1 . 1 80 80 LEU HD22 H 1 0.957 0.020 . 2 . . . . A 96 LEU HD22 . 34781 1 840 . 1 . 1 80 80 LEU HD23 H 1 0.957 0.020 . 2 . . . . A 96 LEU HD23 . 34781 1 841 . 1 . 1 80 80 LEU C C 13 175.614 0.400 . 1 . . . . A 96 LEU C . 34781 1 842 . 1 . 1 80 80 LEU CA C 13 54.792 0.400 . 1 . . . . A 96 LEU CA . 34781 1 843 . 1 . 1 80 80 LEU CB C 13 43.754 0.400 . 1 . . . . A 96 LEU CB . 34781 1 844 . 1 . 1 80 80 LEU CG C 13 27.019 0.400 . 1 . . . . A 96 LEU CG . 34781 1 845 . 1 . 1 80 80 LEU CD1 C 13 23.990 0.400 . 2 . . . . A 96 LEU CD1 . 34781 1 846 . 1 . 1 80 80 LEU CD2 C 13 25.440 0.400 . 2 . . . . A 96 LEU CD2 . 34781 1 847 . 1 . 1 80 80 LEU N N 15 118.481 0.400 . 1 . . . . A 96 LEU N . 34781 1 848 . 1 . 1 81 81 ASN H H 1 8.103 0.020 . 1 . . . . A 97 ASN H . 34781 1 849 . 1 . 1 81 81 ASN HA H 1 4.415 0.020 . 1 . . . . A 97 ASN HA . 34781 1 850 . 1 . 1 81 81 ASN HB2 H 1 3.246 0.020 . 2 . . . . A 97 ASN HB2 . 34781 1 851 . 1 . 1 81 81 ASN HB3 H 1 2.885 0.020 . 2 . . . . A 97 ASN HB3 . 34781 1 852 . 1 . 1 81 81 ASN HD21 H 1 7.462 0.020 . 2 . . . . A 97 ASN HD21 . 34781 1 853 . 1 . 1 81 81 ASN HD22 H 1 6.812 0.020 . 2 . . . . A 97 ASN HD22 . 34781 1 854 . 1 . 1 81 81 ASN C C 13 173.927 0.400 . 1 . . . . A 97 ASN C . 34781 1 855 . 1 . 1 81 81 ASN CA C 13 54.589 0.400 . 1 . . . . A 97 ASN CA . 34781 1 856 . 1 . 1 81 81 ASN CB C 13 37.526 0.400 . 1 . . . . A 97 ASN CB . 34781 1 857 . 1 . 1 81 81 ASN N N 15 115.739 0.400 . 1 . . . . A 97 ASN N . 34781 1 858 . 1 . 1 81 81 ASN ND2 N 15 111.843 0.400 . 1 . . . . A 97 ASN ND2 . 34781 1 859 . 1 . 1 82 82 LEU H H 1 7.904 0.020 . 1 . . . . A 98 LEU H . 34781 1 860 . 1 . 1 82 82 LEU HA H 1 4.942 0.020 . 1 . . . . A 98 LEU HA . 34781 1 861 . 1 . 1 82 82 LEU HB2 H 1 1.523 0.020 . 2 . . . . A 98 LEU HB2 . 34781 1 862 . 1 . 1 82 82 LEU HB3 H 1 1.448 0.020 . 2 . . . . A 98 LEU HB3 . 34781 1 863 . 1 . 1 82 82 LEU HG H 1 1.675 0.020 . 1 . . . . A 98 LEU HG . 34781 1 864 . 1 . 1 82 82 LEU HD11 H 1 0.938 0.020 . 2 . . . . A 98 LEU HD11 . 34781 1 865 . 1 . 1 82 82 LEU HD12 H 1 0.938 0.020 . 2 . . . . A 98 LEU HD12 . 34781 1 866 . 1 . 1 82 82 LEU HD13 H 1 0.938 0.020 . 2 . . . . A 98 LEU HD13 . 34781 1 867 . 1 . 1 82 82 LEU HD21 H 1 0.842 0.020 . 2 . . . . A 98 LEU HD21 . 34781 1 868 . 1 . 1 82 82 LEU HD22 H 1 0.842 0.020 . 2 . . . . A 98 LEU HD22 . 34781 1 869 . 1 . 1 82 82 LEU HD23 H 1 0.842 0.020 . 2 . . . . A 98 LEU HD23 . 34781 1 870 . 1 . 1 82 82 LEU C C 13 176.093 0.400 . 1 . . . . A 98 LEU C . 34781 1 871 . 1 . 1 82 82 LEU CA C 13 53.310 0.400 . 1 . . . . A 98 LEU CA . 34781 1 872 . 1 . 1 82 82 LEU CB C 13 47.394 0.400 . 1 . . . . A 98 LEU CB . 34781 1 873 . 1 . 1 82 82 LEU CG C 13 26.148 0.400 . 1 . . . . A 98 LEU CG . 34781 1 874 . 1 . 1 82 82 LEU CD1 C 13 23.405 0.400 . 2 . . . . A 98 LEU CD1 . 34781 1 875 . 1 . 1 82 82 LEU CD2 C 13 25.502 0.400 . 2 . . . . A 98 LEU CD2 . 34781 1 876 . 1 . 1 82 82 LEU N N 15 117.283 0.400 . 1 . . . . A 98 LEU N . 34781 1 877 . 1 . 1 83 83 THR H H 1 7.312 0.020 . 1 . . . . A 99 THR H . 34781 1 878 . 1 . 1 83 83 THR HA H 1 4.585 0.020 . 1 . . . . A 99 THR HA . 34781 1 879 . 1 . 1 83 83 THR HB H 1 4.635 0.020 . 1 . . . . A 99 THR HB . 34781 1 880 . 1 . 1 83 83 THR HG1 H 1 4.634 0.020 . 1 . . . . A 99 THR HG1 . 34781 1 881 . 1 . 1 83 83 THR HG21 H 1 1.304 0.020 . 1 . . . . A 99 THR HG21 . 34781 1 882 . 1 . 1 83 83 THR HG22 H 1 1.304 0.020 . 1 . . . . A 99 THR HG22 . 34781 1 883 . 1 . 1 83 83 THR HG23 H 1 1.304 0.020 . 1 . . . . A 99 THR HG23 . 34781 1 884 . 1 . 1 83 83 THR C C 13 175.184 0.400 . 1 . . . . A 99 THR C . 34781 1 885 . 1 . 1 83 83 THR CA C 13 59.417 0.400 . 1 . . . . A 99 THR CA . 34781 1 886 . 1 . 1 83 83 THR CB C 13 71.471 0.400 . 1 . . . . A 99 THR CB . 34781 1 887 . 1 . 1 83 83 THR CG2 C 13 22.176 0.400 . 1 . . . . A 99 THR CG2 . 34781 1 888 . 1 . 1 83 83 THR N N 15 108.840 0.400 . 1 . . . . A 99 THR N . 34781 1 889 . 1 . 1 84 84 ALA H H 1 8.996 0.020 . 1 . . . . A 100 ALA H . 34781 1 890 . 1 . 1 84 84 ALA HA H 1 3.827 0.020 . 1 . . . . A 100 ALA HA . 34781 1 891 . 1 . 1 84 84 ALA HB1 H 1 1.300 0.020 . 1 . . . . A 100 ALA HB1 . 34781 1 892 . 1 . 1 84 84 ALA HB2 H 1 1.300 0.020 . 1 . . . . A 100 ALA HB2 . 34781 1 893 . 1 . 1 84 84 ALA HB3 H 1 1.300 0.020 . 1 . . . . A 100 ALA HB3 . 34781 1 894 . 1 . 1 84 84 ALA C C 13 178.823 0.400 . 1 . . . . A 100 ALA C . 34781 1 895 . 1 . 1 84 84 ALA CA C 13 55.782 0.400 . 1 . . . . A 100 ALA CA . 34781 1 896 . 1 . 1 84 84 ALA CB C 13 17.172 0.400 . 1 . . . . A 100 ALA CB . 34781 1 897 . 1 . 1 84 84 ALA N N 15 123.713 0.400 . 1 . . . . A 100 ALA N . 34781 1 898 . 1 . 1 85 85 ASP H H 1 8.180 0.020 . 1 . . . . A 101 ASP H . 34781 1 899 . 1 . 1 85 85 ASP HA H 1 4.204 0.020 . 1 . . . . A 101 ASP HA . 34781 1 900 . 1 . 1 85 85 ASP HB2 H 1 2.555 0.020 . 2 . . . . A 101 ASP HB2 . 34781 1 901 . 1 . 1 85 85 ASP HB3 H 1 2.555 0.020 . 2 . . . . A 101 ASP HB3 . 34781 1 902 . 1 . 1 85 85 ASP C C 13 177.558 0.400 . 1 . . . . A 101 ASP C . 34781 1 903 . 1 . 1 85 85 ASP CA C 13 57.299 0.400 . 1 . . . . A 101 ASP CA . 34781 1 904 . 1 . 1 85 85 ASP CB C 13 41.113 0.400 . 1 . . . . A 101 ASP CB . 34781 1 905 . 1 . 1 85 85 ASP N N 15 113.997 0.400 . 1 . . . . A 101 ASP N . 34781 1 906 . 1 . 1 86 86 ALA H H 1 7.501 0.020 . 1 . . . . A 102 ALA H . 34781 1 907 . 1 . 1 86 86 ALA HA H 1 4.091 0.020 . 1 . . . . A 102 ALA HA . 34781 1 908 . 1 . 1 86 86 ALA HB1 H 1 1.547 0.020 . 1 . . . . A 102 ALA HB1 . 34781 1 909 . 1 . 1 86 86 ALA HB2 H 1 1.547 0.020 . 1 . . . . A 102 ALA HB2 . 34781 1 910 . 1 . 1 86 86 ALA HB3 H 1 1.547 0.020 . 1 . . . . A 102 ALA HB3 . 34781 1 911 . 1 . 1 86 86 ALA C C 13 181.036 0.400 . 1 . . . . A 102 ALA C . 34781 1 912 . 1 . 1 86 86 ALA CA C 13 54.863 0.400 . 1 . . . . A 102 ALA CA . 34781 1 913 . 1 . 1 86 86 ALA CB C 13 19.218 0.400 . 1 . . . . A 102 ALA CB . 34781 1 914 . 1 . 1 86 86 ALA N N 15 119.339 0.400 . 1 . . . . A 102 ALA N . 34781 1 915 . 1 . 1 87 87 VAL H H 1 7.674 0.020 . 1 . . . . A 103 VAL H . 34781 1 916 . 1 . 1 87 87 VAL HA H 1 3.851 0.020 . 1 . . . . A 103 VAL HA . 34781 1 917 . 1 . 1 87 87 VAL HB H 1 2.100 0.020 . 1 . . . . A 103 VAL HB . 34781 1 918 . 1 . 1 87 87 VAL HG11 H 1 1.054 0.020 . 2 . . . . A 103 VAL HG11 . 34781 1 919 . 1 . 1 87 87 VAL HG12 H 1 1.054 0.020 . 2 . . . . A 103 VAL HG12 . 34781 1 920 . 1 . 1 87 87 VAL HG13 H 1 1.054 0.020 . 2 . . . . A 103 VAL HG13 . 34781 1 921 . 1 . 1 87 87 VAL HG21 H 1 0.937 0.020 . 2 . . . . A 103 VAL HG21 . 34781 1 922 . 1 . 1 87 87 VAL HG22 H 1 0.937 0.020 . 2 . . . . A 103 VAL HG22 . 34781 1 923 . 1 . 1 87 87 VAL HG23 H 1 0.937 0.020 . 2 . . . . A 103 VAL HG23 . 34781 1 924 . 1 . 1 87 87 VAL C C 13 176.771 0.400 . 1 . . . . A 103 VAL C . 34781 1 925 . 1 . 1 87 87 VAL CA C 13 65.955 0.400 . 1 . . . . A 103 VAL CA . 34781 1 926 . 1 . 1 87 87 VAL CB C 13 31.690 0.400 . 1 . . . . A 103 VAL CB . 34781 1 927 . 1 . 1 87 87 VAL CG1 C 13 23.706 0.400 . 2 . . . . A 103 VAL CG1 . 34781 1 928 . 1 . 1 87 87 VAL CG2 C 13 21.027 0.400 . 2 . . . . A 103 VAL CG2 . 34781 1 929 . 1 . 1 87 87 VAL N N 15 117.829 0.400 . 1 . . . . A 103 VAL N . 34781 1 930 . 1 . 1 88 88 LEU H H 1 8.067 0.020 . 1 . . . . A 104 LEU H . 34781 1 931 . 1 . 1 88 88 LEU HA H 1 3.998 0.020 . 1 . . . . A 104 LEU HA . 34781 1 932 . 1 . 1 88 88 LEU HB2 H 1 1.779 0.020 . 2 . . . . A 104 LEU HB2 . 34781 1 933 . 1 . 1 88 88 LEU HB3 H 1 1.398 0.020 . 2 . . . . A 104 LEU HB3 . 34781 1 934 . 1 . 1 88 88 LEU HG H 1 1.792 0.020 . 1 . . . . A 104 LEU HG . 34781 1 935 . 1 . 1 88 88 LEU HD11 H 1 0.771 0.020 . 2 . . . . A 104 LEU HD11 . 34781 1 936 . 1 . 1 88 88 LEU HD12 H 1 0.771 0.020 . 2 . . . . A 104 LEU HD12 . 34781 1 937 . 1 . 1 88 88 LEU HD13 H 1 0.771 0.020 . 2 . . . . A 104 LEU HD13 . 34781 1 938 . 1 . 1 88 88 LEU HD21 H 1 0.662 0.020 . 2 . . . . A 104 LEU HD21 . 34781 1 939 . 1 . 1 88 88 LEU HD22 H 1 0.662 0.020 . 2 . . . . A 104 LEU HD22 . 34781 1 940 . 1 . 1 88 88 LEU HD23 H 1 0.662 0.020 . 2 . . . . A 104 LEU HD23 . 34781 1 941 . 1 . 1 88 88 LEU C C 13 177.731 0.400 . 1 . . . . A 104 LEU C . 34781 1 942 . 1 . 1 88 88 LEU CA C 13 57.460 0.400 . 1 . . . . A 104 LEU CA . 34781 1 943 . 1 . 1 88 88 LEU CB C 13 41.285 0.400 . 1 . . . . A 104 LEU CB . 34781 1 944 . 1 . 1 88 88 LEU CG C 13 27.828 0.400 . 1 . . . . A 104 LEU CG . 34781 1 945 . 1 . 1 88 88 LEU CD1 C 13 24.965 0.400 . 2 . . . . A 104 LEU CD1 . 34781 1 946 . 1 . 1 88 88 LEU CD2 C 13 22.742 0.400 . 2 . . . . A 104 LEU CD2 . 34781 1 947 . 1 . 1 88 88 LEU N N 15 117.120 0.400 . 1 . . . . A 104 LEU N . 34781 1 948 . 1 . 1 89 89 LYS H H 1 7.076 0.020 . 1 . . . . A 105 LYS H . 34781 1 949 . 1 . 1 89 89 LYS HA H 1 4.271 0.020 . 1 . . . . A 105 LYS HA . 34781 1 950 . 1 . 1 89 89 LYS HB2 H 1 2.019 0.020 . 2 . . . . A 105 LYS HB2 . 34781 1 951 . 1 . 1 89 89 LYS HB3 H 1 1.799 0.020 . 2 . . . . A 105 LYS HB3 . 34781 1 952 . 1 . 1 89 89 LYS HG2 H 1 1.579 0.020 . 2 . . . . A 105 LYS HG2 . 34781 1 953 . 1 . 1 89 89 LYS HG3 H 1 1.485 0.020 . 2 . . . . A 105 LYS HG3 . 34781 1 954 . 1 . 1 89 89 LYS HD2 H 1 1.689 0.020 . 2 . . . . A 105 LYS HD2 . 34781 1 955 . 1 . 1 89 89 LYS HD3 H 1 1.689 0.020 . 2 . . . . A 105 LYS HD3 . 34781 1 956 . 1 . 1 89 89 LYS HE2 H 1 3.007 0.020 . 2 . . . . A 105 LYS HE2 . 34781 1 957 . 1 . 1 89 89 LYS HE3 H 1 3.007 0.020 . 2 . . . . A 105 LYS HE3 . 34781 1 958 . 1 . 1 89 89 LYS C C 13 175.897 0.400 . 1 . . . . A 105 LYS C . 34781 1 959 . 1 . 1 89 89 LYS CA C 13 56.556 0.400 . 1 . . . . A 105 LYS CA . 34781 1 960 . 1 . 1 89 89 LYS CB C 13 33.140 0.400 . 1 . . . . A 105 LYS CB . 34781 1 961 . 1 . 1 89 89 LYS CG C 13 25.234 0.400 . 1 . . . . A 105 LYS CG . 34781 1 962 . 1 . 1 89 89 LYS CD C 13 29.374 0.400 . 1 . . . . A 105 LYS CD . 34781 1 963 . 1 . 1 89 89 LYS CE C 13 42.399 0.400 . 1 . . . . A 105 LYS CE . 34781 1 964 . 1 . 1 89 89 LYS N N 15 113.765 0.400 . 1 . . . . A 105 LYS N . 34781 1 965 . 1 . 1 90 90 ASN H H 1 7.636 0.020 . 1 . . . . A 106 ASN H . 34781 1 966 . 1 . 1 90 90 ASN HA H 1 4.910 0.020 . 1 . . . . A 106 ASN HA . 34781 1 967 . 1 . 1 90 90 ASN HB2 H 1 3.409 0.020 . 2 . . . . A 106 ASN HB2 . 34781 1 968 . 1 . 1 90 90 ASN HB3 H 1 2.666 0.020 . 2 . . . . A 106 ASN HB3 . 34781 1 969 . 1 . 1 90 90 ASN HD21 H 1 6.965 0.020 . 2 . . . . A 106 ASN HD21 . 34781 1 970 . 1 . 1 90 90 ASN HD22 H 1 7.799 0.020 . 2 . . . . A 106 ASN HD22 . 34781 1 971 . 1 . 1 90 90 ASN C C 13 173.509 0.400 . 1 . . . . A 106 ASN C . 34781 1 972 . 1 . 1 90 90 ASN CA C 13 51.057 0.400 . 1 . . . . A 106 ASN CA . 34781 1 973 . 1 . 1 90 90 ASN CB C 13 37.893 0.400 . 1 . . . . A 106 ASN CB . 34781 1 974 . 1 . 1 90 90 ASN N N 15 120.632 0.400 . 1 . . . . A 106 ASN N . 34781 1 975 . 1 . 1 90 90 ASN ND2 N 15 112.285 0.400 . 1 . . . . A 106 ASN ND2 . 34781 1 976 . 1 . 1 91 91 LYS H H 1 8.057 0.020 . 1 . . . . A 107 LYS H . 34781 1 977 . 1 . 1 91 91 LYS HA H 1 3.813 0.020 . 1 . . . . A 107 LYS HA . 34781 1 978 . 1 . 1 91 91 LYS HB2 H 1 1.962 0.020 . 2 . . . . A 107 LYS HB2 . 34781 1 979 . 1 . 1 91 91 LYS HB3 H 1 1.896 0.020 . 2 . . . . A 107 LYS HB3 . 34781 1 980 . 1 . 1 91 91 LYS HG2 H 1 1.526 0.020 . 2 . . . . A 107 LYS HG2 . 34781 1 981 . 1 . 1 91 91 LYS HG3 H 1 1.526 0.020 . 2 . . . . A 107 LYS HG3 . 34781 1 982 . 1 . 1 91 91 LYS HD2 H 1 1.749 0.020 . 2 . . . . A 107 LYS HD2 . 34781 1 983 . 1 . 1 91 91 LYS HD3 H 1 1.749 0.020 . 2 . . . . A 107 LYS HD3 . 34781 1 984 . 1 . 1 91 91 LYS HE2 H 1 3.069 0.020 . 2 . . . . A 107 LYS HE2 . 34781 1 985 . 1 . 1 91 91 LYS HE3 H 1 3.069 0.020 . 2 . . . . A 107 LYS HE3 . 34781 1 986 . 1 . 1 91 91 LYS C C 13 177.717 0.400 . 1 . . . . A 107 LYS C . 34781 1 987 . 1 . 1 91 91 LYS CA C 13 60.740 0.400 . 1 . . . . A 107 LYS CA . 34781 1 988 . 1 . 1 91 91 LYS CB C 13 32.293 0.400 . 1 . . . . A 107 LYS CB . 34781 1 989 . 1 . 1 91 91 LYS CG C 13 25.439 0.400 . 1 . . . . A 107 LYS CG . 34781 1 990 . 1 . 1 91 91 LYS CD C 13 29.275 0.400 . 1 . . . . A 107 LYS CD . 34781 1 991 . 1 . 1 91 91 LYS CE C 13 42.301 0.400 . 1 . . . . A 107 LYS CE . 34781 1 992 . 1 . 1 91 91 LYS N N 15 122.900 0.400 . 1 . . . . A 107 LYS N . 34781 1 993 . 1 . 1 92 92 ASP H H 1 8.292 0.020 . 1 . . . . A 108 ASP H . 34781 1 994 . 1 . 1 92 92 ASP HA H 1 4.382 0.020 . 1 . . . . A 108 ASP HA . 34781 1 995 . 1 . 1 92 92 ASP HB2 H 1 2.740 0.020 . 2 . . . . A 108 ASP HB2 . 34781 1 996 . 1 . 1 92 92 ASP HB3 H 1 2.675 0.020 . 2 . . . . A 108 ASP HB3 . 34781 1 997 . 1 . 1 92 92 ASP C C 13 178.794 0.400 . 1 . . . . A 108 ASP C . 34781 1 998 . 1 . 1 92 92 ASP CA C 13 57.705 0.400 . 1 . . . . A 108 ASP CA . 34781 1 999 . 1 . 1 92 92 ASP CB C 13 41.207 0.400 . 1 . . . . A 108 ASP CB . 34781 1 1000 . 1 . 1 92 92 ASP N N 15 116.832 0.400 . 1 . . . . A 108 ASP N . 34781 1 1001 . 1 . 1 93 93 LEU H H 1 7.295 0.020 . 1 . . . . A 109 LEU H . 34781 1 1002 . 1 . 1 93 93 LEU HA H 1 4.129 0.020 . 1 . . . . A 109 LEU HA . 34781 1 1003 . 1 . 1 93 93 LEU HB2 H 1 1.751 0.020 . 2 . . . . A 109 LEU HB2 . 34781 1 1004 . 1 . 1 93 93 LEU HB3 H 1 1.572 0.020 . 2 . . . . A 109 LEU HB3 . 34781 1 1005 . 1 . 1 93 93 LEU HG H 1 1.546 0.020 . 1 . . . . A 109 LEU HG . 34781 1 1006 . 1 . 1 93 93 LEU HD11 H 1 0.981 0.020 . 2 . . . . A 109 LEU HD11 . 34781 1 1007 . 1 . 1 93 93 LEU HD12 H 1 0.981 0.020 . 2 . . . . A 109 LEU HD12 . 34781 1 1008 . 1 . 1 93 93 LEU HD13 H 1 0.981 0.020 . 2 . . . . A 109 LEU HD13 . 34781 1 1009 . 1 . 1 93 93 LEU HD21 H 1 0.960 0.020 . 2 . . . . A 109 LEU HD21 . 34781 1 1010 . 1 . 1 93 93 LEU HD22 H 1 0.960 0.020 . 2 . . . . A 109 LEU HD22 . 34781 1 1011 . 1 . 1 93 93 LEU HD23 H 1 0.960 0.020 . 2 . . . . A 109 LEU HD23 . 34781 1 1012 . 1 . 1 93 93 LEU C C 13 178.314 0.400 . 1 . . . . A 109 LEU C . 34781 1 1013 . 1 . 1 93 93 LEU CA C 13 57.514 0.400 . 1 . . . . A 109 LEU CA . 34781 1 1014 . 1 . 1 93 93 LEU CB C 13 42.288 0.400 . 1 . . . . A 109 LEU CB . 34781 1 1015 . 1 . 1 93 93 LEU CG C 13 27.041 0.400 . 1 . . . . A 109 LEU CG . 34781 1 1016 . 1 . 1 93 93 LEU CD1 C 13 23.062 0.400 . 2 . . . . A 109 LEU CD1 . 34781 1 1017 . 1 . 1 93 93 LEU CD2 C 13 25.948 0.400 . 2 . . . . A 109 LEU CD2 . 34781 1 1018 . 1 . 1 93 93 LEU N N 15 121.045 0.400 . 1 . . . . A 109 LEU N . 34781 1 1019 . 1 . 1 94 94 LEU H H 1 8.481 0.020 . 1 . . . . A 110 LEU H . 34781 1 1020 . 1 . 1 94 94 LEU HA H 1 3.857 0.020 . 1 . . . . A 110 LEU HA . 34781 1 1021 . 1 . 1 94 94 LEU HB2 H 1 2.110 0.020 . 2 . . . . A 110 LEU HB2 . 34781 1 1022 . 1 . 1 94 94 LEU HB3 H 1 1.559 0.020 . 2 . . . . A 110 LEU HB3 . 34781 1 1023 . 1 . 1 94 94 LEU HG H 1 1.816 0.020 . 1 . . . . A 110 LEU HG . 34781 1 1024 . 1 . 1 94 94 LEU HD11 H 1 0.931 0.020 . 2 . . . . A 110 LEU HD11 . 34781 1 1025 . 1 . 1 94 94 LEU HD12 H 1 0.931 0.020 . 2 . . . . A 110 LEU HD12 . 34781 1 1026 . 1 . 1 94 94 LEU HD13 H 1 0.931 0.020 . 2 . . . . A 110 LEU HD13 . 34781 1 1027 . 1 . 1 94 94 LEU HD21 H 1 0.894 0.020 . 2 . . . . A 110 LEU HD21 . 34781 1 1028 . 1 . 1 94 94 LEU HD22 H 1 0.894 0.020 . 2 . . . . A 110 LEU HD22 . 34781 1 1029 . 1 . 1 94 94 LEU HD23 H 1 0.894 0.020 . 2 . . . . A 110 LEU HD23 . 34781 1 1030 . 1 . 1 94 94 LEU C C 13 179.056 0.400 . 1 . . . . A 110 LEU C . 34781 1 1031 . 1 . 1 94 94 LEU CA C 13 58.472 0.400 . 1 . . . . A 110 LEU CA . 34781 1 1032 . 1 . 1 94 94 LEU CB C 13 42.846 0.400 . 1 . . . . A 110 LEU CB . 34781 1 1033 . 1 . 1 94 94 LEU CG C 13 26.094 0.400 . 1 . . . . A 110 LEU CG . 34781 1 1034 . 1 . 1 94 94 LEU CD1 C 13 24.944 0.400 . 2 . . . . A 110 LEU CD1 . 34781 1 1035 . 1 . 1 94 94 LEU CD2 C 13 24.802 0.400 . 2 . . . . A 110 LEU CD2 . 34781 1 1036 . 1 . 1 94 94 LEU N N 15 118.337 0.400 . 1 . . . . A 110 LEU N . 34781 1 1037 . 1 . 1 95 95 VAL H H 1 8.519 0.020 . 1 . . . . A 111 VAL H . 34781 1 1038 . 1 . 1 95 95 VAL HA H 1 3.473 0.020 . 1 . . . . A 111 VAL HA . 34781 1 1039 . 1 . 1 95 95 VAL HB H 1 2.230 0.020 . 1 . . . . A 111 VAL HB . 34781 1 1040 . 1 . 1 95 95 VAL HG11 H 1 0.938 0.020 . 2 . . . . A 111 VAL HG11 . 34781 1 1041 . 1 . 1 95 95 VAL HG12 H 1 0.938 0.020 . 2 . . . . A 111 VAL HG12 . 34781 1 1042 . 1 . 1 95 95 VAL HG13 H 1 0.938 0.020 . 2 . . . . A 111 VAL HG13 . 34781 1 1043 . 1 . 1 95 95 VAL HG21 H 1 1.128 0.020 . 2 . . . . A 111 VAL HG21 . 34781 1 1044 . 1 . 1 95 95 VAL HG22 H 1 1.128 0.020 . 2 . . . . A 111 VAL HG22 . 34781 1 1045 . 1 . 1 95 95 VAL HG23 H 1 1.128 0.020 . 2 . . . . A 111 VAL HG23 . 34781 1 1046 . 1 . 1 95 95 VAL C C 13 179.187 0.400 . 1 . . . . A 111 VAL C . 34781 1 1047 . 1 . 1 95 95 VAL CA C 13 67.875 0.400 . 1 . . . . A 111 VAL CA . 34781 1 1048 . 1 . 1 95 95 VAL CB C 13 31.714 0.400 . 1 . . . . A 111 VAL CB . 34781 1 1049 . 1 . 1 95 95 VAL CG1 C 13 21.348 0.400 . 2 . . . . A 111 VAL CG1 . 34781 1 1050 . 1 . 1 95 95 VAL CG2 C 13 24.275 0.400 . 2 . . . . A 111 VAL CG2 . 34781 1 1051 . 1 . 1 95 95 VAL N N 15 117.214 0.400 . 1 . . . . A 111 VAL N . 34781 1 1052 . 1 . 1 96 96 LYS H H 1 7.721 0.020 . 1 . . . . A 112 LYS H . 34781 1 1053 . 1 . 1 96 96 LYS HA H 1 4.080 0.020 . 1 . . . . A 112 LYS HA . 34781 1 1054 . 1 . 1 96 96 LYS HB2 H 1 2.087 0.020 . 2 . . . . A 112 LYS HB2 . 34781 1 1055 . 1 . 1 96 96 LYS HB3 H 1 1.835 0.020 . 2 . . . . A 112 LYS HB3 . 34781 1 1056 . 1 . 1 96 96 LYS HG2 H 1 1.702 0.020 . 2 . . . . A 112 LYS HG2 . 34781 1 1057 . 1 . 1 96 96 LYS HG3 H 1 1.327 0.020 . 2 . . . . A 112 LYS HG3 . 34781 1 1058 . 1 . 1 96 96 LYS HD2 H 1 1.581 0.020 . 2 . . . . A 112 LYS HD2 . 34781 1 1059 . 1 . 1 96 96 LYS HD3 H 1 1.581 0.020 . 2 . . . . A 112 LYS HD3 . 34781 1 1060 . 1 . 1 96 96 LYS HE2 H 1 2.909 0.020 . 2 . . . . A 112 LYS HE2 . 34781 1 1061 . 1 . 1 96 96 LYS HE3 H 1 2.909 0.020 . 2 . . . . A 112 LYS HE3 . 34781 1 1062 . 1 . 1 96 96 LYS C C 13 177.571 0.400 . 1 . . . . A 112 LYS C . 34781 1 1063 . 1 . 1 96 96 LYS CA C 13 61.169 0.400 . 1 . . . . A 112 LYS CA . 34781 1 1064 . 1 . 1 96 96 LYS CB C 13 32.925 0.400 . 1 . . . . A 112 LYS CB . 34781 1 1065 . 1 . 1 96 96 LYS CG C 13 26.025 0.400 . 1 . . . . A 112 LYS CG . 34781 1 1066 . 1 . 1 96 96 LYS CD C 13 29.775 0.400 . 1 . . . . A 112 LYS CD . 34781 1 1067 . 1 . 1 96 96 LYS CE C 13 42.164 0.400 . 1 . . . . A 112 LYS CE . 34781 1 1068 . 1 . 1 96 96 LYS N N 15 123.724 0.400 . 1 . . . . A 112 LYS N . 34781 1 1069 . 1 . 1 97 97 ILE H H 1 8.426 0.020 . 1 . . . . A 113 ILE H . 34781 1 1070 . 1 . 1 97 97 ILE HA H 1 3.699 0.020 . 1 . . . . A 113 ILE HA . 34781 1 1071 . 1 . 1 97 97 ILE HB H 1 1.939 0.020 . 1 . . . . A 113 ILE HB . 34781 1 1072 . 1 . 1 97 97 ILE HG12 H 1 2.004 0.020 . 2 . . . . A 113 ILE HG12 . 34781 1 1073 . 1 . 1 97 97 ILE HG13 H 1 0.920 0.020 . 2 . . . . A 113 ILE HG13 . 34781 1 1074 . 1 . 1 97 97 ILE HG21 H 1 0.921 0.020 . 1 . . . . A 113 ILE HG21 . 34781 1 1075 . 1 . 1 97 97 ILE HG22 H 1 0.921 0.020 . 1 . . . . A 113 ILE HG22 . 34781 1 1076 . 1 . 1 97 97 ILE HG23 H 1 0.921 0.020 . 1 . . . . A 113 ILE HG23 . 34781 1 1077 . 1 . 1 97 97 ILE HD11 H 1 0.769 0.020 . 1 . . . . A 113 ILE HD11 . 34781 1 1078 . 1 . 1 97 97 ILE HD12 H 1 0.769 0.020 . 1 . . . . A 113 ILE HD12 . 34781 1 1079 . 1 . 1 97 97 ILE HD13 H 1 0.769 0.020 . 1 . . . . A 113 ILE HD13 . 34781 1 1080 . 1 . 1 97 97 ILE C C 13 179.548 0.400 . 1 . . . . A 113 ILE C . 34781 1 1081 . 1 . 1 97 97 ILE CA C 13 66.564 0.400 . 1 . . . . A 113 ILE CA . 34781 1 1082 . 1 . 1 97 97 ILE CB C 13 38.759 0.400 . 1 . . . . A 113 ILE CB . 34781 1 1083 . 1 . 1 97 97 ILE CG1 C 13 29.551 0.400 . 1 . . . . A 113 ILE CG1 . 34781 1 1084 . 1 . 1 97 97 ILE CG2 C 13 16.688 0.400 . 1 . . . . A 113 ILE CG2 . 34781 1 1085 . 1 . 1 97 97 ILE CD1 C 13 12.628 0.400 . 1 . . . . A 113 ILE CD1 . 34781 1 1086 . 1 . 1 97 97 ILE N N 15 115.504 0.400 . 1 . . . . A 113 ILE N . 34781 1 1087 . 1 . 1 98 98 LEU H H 1 9.188 0.020 . 1 . . . . A 114 LEU H . 34781 1 1088 . 1 . 1 98 98 LEU HA H 1 4.130 0.020 . 1 . . . . A 114 LEU HA . 34781 1 1089 . 1 . 1 98 98 LEU HB2 H 1 1.967 0.020 . 2 . . . . A 114 LEU HB2 . 34781 1 1090 . 1 . 1 98 98 LEU HB3 H 1 1.532 0.020 . 2 . . . . A 114 LEU HB3 . 34781 1 1091 . 1 . 1 98 98 LEU HG H 1 2.003 0.020 . 1 . . . . A 114 LEU HG . 34781 1 1092 . 1 . 1 98 98 LEU HD11 H 1 0.716 0.020 . 2 . . . . A 114 LEU HD11 . 34781 1 1093 . 1 . 1 98 98 LEU HD12 H 1 0.716 0.020 . 2 . . . . A 114 LEU HD12 . 34781 1 1094 . 1 . 1 98 98 LEU HD13 H 1 0.716 0.020 . 2 . . . . A 114 LEU HD13 . 34781 1 1095 . 1 . 1 98 98 LEU HD21 H 1 0.639 0.020 . 2 . . . . A 114 LEU HD21 . 34781 1 1096 . 1 . 1 98 98 LEU HD22 H 1 0.639 0.020 . 2 . . . . A 114 LEU HD22 . 34781 1 1097 . 1 . 1 98 98 LEU HD23 H 1 0.639 0.020 . 2 . . . . A 114 LEU HD23 . 34781 1 1098 . 1 . 1 98 98 LEU C C 13 178.886 0.400 . 1 . . . . A 114 LEU C . 34781 1 1099 . 1 . 1 98 98 LEU CA C 13 59.022 0.400 . 1 . . . . A 114 LEU CA . 34781 1 1100 . 1 . 1 98 98 LEU CB C 13 42.356 0.400 . 1 . . . . A 114 LEU CB . 34781 1 1101 . 1 . 1 98 98 LEU CG C 13 26.841 0.400 . 1 . . . . A 114 LEU CG . 34781 1 1102 . 1 . 1 98 98 LEU CD1 C 13 21.278 0.400 . 2 . . . . A 114 LEU CD1 . 34781 1 1103 . 1 . 1 98 98 LEU CD2 C 13 26.746 0.400 . 2 . . . . A 114 LEU CD2 . 34781 1 1104 . 1 . 1 98 98 LEU N N 15 118.950 0.400 . 1 . . . . A 114 LEU N . 34781 1 1105 . 1 . 1 99 99 SER H H 1 8.322 0.020 . 1 . . . . A 115 SER H . 34781 1 1106 . 1 . 1 99 99 SER HA H 1 4.162 0.020 . 1 . . . . A 115 SER HA . 34781 1 1107 . 1 . 1 99 99 SER HB2 H 1 4.227 0.020 . 2 . . . . A 115 SER HB2 . 34781 1 1108 . 1 . 1 99 99 SER HB3 H 1 3.530 0.020 . 2 . . . . A 115 SER HB3 . 34781 1 1109 . 1 . 1 99 99 SER HG H 1 4.842 0.020 . 1 . . . . A 115 SER HG . 34781 1 1110 . 1 . 1 99 99 SER C C 13 173.630 0.400 . 1 . . . . A 115 SER C . 34781 1 1111 . 1 . 1 99 99 SER CA C 13 63.011 0.400 . 1 . . . . A 115 SER CA . 34781 1 1112 . 1 . 1 99 99 SER CB C 13 63.843 0.400 . 1 . . . . A 115 SER CB . 34781 1 1113 . 1 . 1 99 99 SER N N 15 113.285 0.400 . 1 . . . . A 115 SER N . 34781 1 1114 . 1 . 1 100 100 TYR H H 1 7.554 0.020 . 1 . . . . A 116 TYR H . 34781 1 1115 . 1 . 1 100 100 TYR HA H 1 4.696 0.020 . 1 . . . . A 116 TYR HA . 34781 1 1116 . 1 . 1 100 100 TYR HB2 H 1 3.109 0.020 . 2 . . . . A 116 TYR HB2 . 34781 1 1117 . 1 . 1 100 100 TYR HB3 H 1 3.006 0.020 . 2 . . . . A 116 TYR HB3 . 34781 1 1118 . 1 . 1 100 100 TYR HD1 H 1 6.933 0.020 . 1 . . . . A 116 TYR HD1 . 34781 1 1119 . 1 . 1 100 100 TYR HD2 H 1 6.933 0.020 . 1 . . . . A 116 TYR HD2 . 34781 1 1120 . 1 . 1 100 100 TYR HE1 H 1 6.312 0.020 . 1 . . . . A 116 TYR HE1 . 34781 1 1121 . 1 . 1 100 100 TYR HE2 H 1 6.312 0.020 . 1 . . . . A 116 TYR HE2 . 34781 1 1122 . 1 . 1 100 100 TYR HH H 1 8.032 0.020 . 1 . . . . A 116 TYR HH . 34781 1 1123 . 1 . 1 100 100 TYR C C 13 171.107 0.400 . 1 . . . . A 116 TYR C . 34781 1 1124 . 1 . 1 100 100 TYR CA C 13 57.597 0.400 . 1 . . . . A 116 TYR CA . 34781 1 1125 . 1 . 1 100 100 TYR CB C 13 39.684 0.400 . 1 . . . . A 116 TYR CB . 34781 1 1126 . 1 . 1 100 100 TYR CD1 C 13 133.128 0.400 . 3 . . . . A 116 TYR CD1 . 34781 1 1127 . 1 . 1 100 100 TYR CE1 C 13 117.423 0.400 . 3 . . . . A 116 TYR CE1 . 34781 1 1128 . 1 . 1 100 100 TYR N N 15 121.263 0.400 . 1 . . . . A 116 TYR N . 34781 1 1129 . 1 . 1 101 101 HIS H H 1 7.153 0.020 . 1 . . . . A 117 HIS H . 34781 1 1130 . 1 . 1 101 101 HIS HA H 1 4.083 0.020 . 1 . . . . A 117 HIS HA . 34781 1 1131 . 1 . 1 101 101 HIS HB2 H 1 2.798 0.020 . 2 . . . . A 117 HIS HB2 . 34781 1 1132 . 1 . 1 101 101 HIS HB3 H 1 2.798 0.020 . 2 . . . . A 117 HIS HB3 . 34781 1 1133 . 1 . 1 101 101 HIS HD2 H 1 7.153 0.020 . 1 . . . . A 117 HIS HD2 . 34781 1 1134 . 1 . 1 101 101 HIS HE1 H 1 8.385 0.020 . 1 . . . . A 117 HIS HE1 . 34781 1 1135 . 1 . 1 101 101 HIS HE2 H 1 11.628 0.020 . 1 . . . . A 117 HIS HE2 . 34781 1 1136 . 1 . 1 101 101 HIS C C 13 172.409 0.400 . 1 . . . . A 117 HIS C . 34781 1 1137 . 1 . 1 101 101 HIS CA C 13 57.910 0.400 . 1 . . . . A 117 HIS CA . 34781 1 1138 . 1 . 1 101 101 HIS CB C 13 28.089 0.400 . 1 . . . . A 117 HIS CB . 34781 1 1139 . 1 . 1 101 101 HIS CE1 C 13 140.904 0.400 . 1 . . . . A 117 HIS CE1 . 34781 1 1140 . 1 . 1 101 101 HIS N N 15 108.840 0.400 . 1 . . . . A 117 HIS N . 34781 1 1141 . 1 . 1 101 101 HIS NE2 N 15 166.550 0.400 . 1 . . . . A 117 HIS NE2 . 34781 1 1142 . 1 . 1 102 102 VAL H H 1 7.059 0.020 . 1 . . . . A 118 VAL H . 34781 1 1143 . 1 . 1 102 102 VAL HA H 1 4.384 0.020 . 1 . . . . A 118 VAL HA . 34781 1 1144 . 1 . 1 102 102 VAL HB H 1 1.534 0.020 . 1 . . . . A 118 VAL HB . 34781 1 1145 . 1 . 1 102 102 VAL HG11 H 1 -0.437 0.020 . 2 . . . . A 118 VAL HG11 . 34781 1 1146 . 1 . 1 102 102 VAL HG12 H 1 -0.437 0.020 . 2 . . . . A 118 VAL HG12 . 34781 1 1147 . 1 . 1 102 102 VAL HG13 H 1 -0.437 0.020 . 2 . . . . A 118 VAL HG13 . 34781 1 1148 . 1 . 1 102 102 VAL HG21 H 1 0.661 0.020 . 2 . . . . A 118 VAL HG21 . 34781 1 1149 . 1 . 1 102 102 VAL HG22 H 1 0.661 0.020 . 2 . . . . A 118 VAL HG22 . 34781 1 1150 . 1 . 1 102 102 VAL HG23 H 1 0.661 0.020 . 2 . . . . A 118 VAL HG23 . 34781 1 1151 . 1 . 1 102 102 VAL C C 13 174.136 0.400 . 1 . . . . A 118 VAL C . 34781 1 1152 . 1 . 1 102 102 VAL CA C 13 61.171 0.400 . 1 . . . . A 118 VAL CA . 34781 1 1153 . 1 . 1 102 102 VAL CB C 13 35.016 0.400 . 1 . . . . A 118 VAL CB . 34781 1 1154 . 1 . 1 102 102 VAL CG1 C 13 20.927 0.400 . 2 . . . . A 118 VAL CG1 . 34781 1 1155 . 1 . 1 102 102 VAL CG2 C 13 21.750 0.400 . 2 . . . . A 118 VAL CG2 . 34781 1 1156 . 1 . 1 102 102 VAL N N 15 116.569 0.400 . 1 . . . . A 118 VAL N . 34781 1 1157 . 1 . 1 103 103 ILE H H 1 8.880 0.020 . 1 . . . . A 119 ILE H . 34781 1 1158 . 1 . 1 103 103 ILE HA H 1 4.632 0.020 . 1 . . . . A 119 ILE HA . 34781 1 1159 . 1 . 1 103 103 ILE HB H 1 1.958 0.020 . 1 . . . . A 119 ILE HB . 34781 1 1160 . 1 . 1 103 103 ILE HG12 H 1 1.171 0.020 . 2 . . . . A 119 ILE HG12 . 34781 1 1161 . 1 . 1 103 103 ILE HG13 H 1 0.903 0.020 . 2 . . . . A 119 ILE HG13 . 34781 1 1162 . 1 . 1 103 103 ILE HG21 H 1 0.978 0.020 . 1 . . . . A 119 ILE HG21 . 34781 1 1163 . 1 . 1 103 103 ILE HG22 H 1 0.978 0.020 . 1 . . . . A 119 ILE HG22 . 34781 1 1164 . 1 . 1 103 103 ILE HG23 H 1 0.978 0.020 . 1 . . . . A 119 ILE HG23 . 34781 1 1165 . 1 . 1 103 103 ILE HD11 H 1 0.511 0.020 . 1 . . . . A 119 ILE HD11 . 34781 1 1166 . 1 . 1 103 103 ILE HD12 H 1 0.511 0.020 . 1 . . . . A 119 ILE HD12 . 34781 1 1167 . 1 . 1 103 103 ILE HD13 H 1 0.511 0.020 . 1 . . . . A 119 ILE HD13 . 34781 1 1168 . 1 . 1 103 103 ILE CA C 13 57.530 0.400 . 1 . . . . A 119 ILE CA . 34781 1 1169 . 1 . 1 103 103 ILE CB C 13 39.598 0.400 . 1 . . . . A 119 ILE CB . 34781 1 1170 . 1 . 1 103 103 ILE CG1 C 13 26.713 0.400 . 1 . . . . A 119 ILE CG1 . 34781 1 1171 . 1 . 1 103 103 ILE CG2 C 13 17.243 0.400 . 1 . . . . A 119 ILE CG2 . 34781 1 1172 . 1 . 1 103 103 ILE CD1 C 13 13.227 0.400 . 1 . . . . A 119 ILE CD1 . 34781 1 1173 . 1 . 1 103 103 ILE N N 15 126.995 0.400 . 1 . . . . A 119 ILE N . 34781 1 1174 . 1 . 1 104 104 PRO HA H 1 4.308 0.020 . 1 . . . . A 120 PRO HA . 34781 1 1175 . 1 . 1 104 104 PRO HB2 H 1 2.126 0.020 . 2 . . . . A 120 PRO HB2 . 34781 1 1176 . 1 . 1 104 104 PRO HB3 H 1 1.132 0.020 . 2 . . . . A 120 PRO HB3 . 34781 1 1177 . 1 . 1 104 104 PRO HG2 H 1 1.744 0.020 . 2 . . . . A 120 PRO HG2 . 34781 1 1178 . 1 . 1 104 104 PRO HG3 H 1 1.496 0.020 . 2 . . . . A 120 PRO HG3 . 34781 1 1179 . 1 . 1 104 104 PRO HD2 H 1 3.743 0.020 . 2 . . . . A 120 PRO HD2 . 34781 1 1180 . 1 . 1 104 104 PRO HD3 H 1 3.501 0.020 . 2 . . . . A 120 PRO HD3 . 34781 1 1181 . 1 . 1 104 104 PRO C C 13 176.194 0.400 . 1 . . . . A 120 PRO C . 34781 1 1182 . 1 . 1 104 104 PRO CA C 13 63.561 0.400 . 1 . . . . A 120 PRO CA . 34781 1 1183 . 1 . 1 104 104 PRO CB C 13 31.835 0.400 . 1 . . . . A 120 PRO CB . 34781 1 1184 . 1 . 1 104 104 PRO CG C 13 26.385 0.400 . 1 . . . . A 120 PRO CG . 34781 1 1185 . 1 . 1 104 104 PRO CD C 13 50.687 0.400 . 1 . . . . A 120 PRO CD . 34781 1 1186 . 1 . 1 105 105 SER H H 1 7.381 0.020 . 1 . . . . A 121 SER H . 34781 1 1187 . 1 . 1 105 105 SER HA H 1 4.336 0.020 . 1 . . . . A 121 SER HA . 34781 1 1188 . 1 . 1 105 105 SER HB2 H 1 4.028 0.020 . 2 . . . . A 121 SER HB2 . 34781 1 1189 . 1 . 1 105 105 SER HB3 H 1 3.838 0.020 . 2 . . . . A 121 SER HB3 . 34781 1 1190 . 1 . 1 105 105 SER C C 13 174.100 0.400 . 1 . . . . A 121 SER C . 34781 1 1191 . 1 . 1 105 105 SER CA C 13 58.984 0.400 . 1 . . . . A 121 SER CA . 34781 1 1192 . 1 . 1 105 105 SER CB C 13 62.933 0.400 . 1 . . . . A 121 SER CB . 34781 1 1193 . 1 . 1 105 105 SER N N 15 112.014 0.400 . 1 . . . . A 121 SER N . 34781 1 1194 . 1 . 1 106 106 GLY H H 1 7.221 0.020 . 1 . . . . A 122 GLY H . 34781 1 1195 . 1 . 1 106 106 GLY HA2 H 1 4.219 0.020 . 2 . . . . A 122 GLY HA2 . 34781 1 1196 . 1 . 1 106 106 GLY HA3 H 1 3.938 0.020 . 2 . . . . A 122 GLY HA3 . 34781 1 1197 . 1 . 1 106 106 GLY C C 13 170.902 0.400 . 1 . . . . A 122 GLY C . 34781 1 1198 . 1 . 1 106 106 GLY CA C 13 45.131 0.400 . 1 . . . . A 122 GLY CA . 34781 1 1199 . 1 . 1 106 106 GLY N N 15 108.577 0.400 . 1 . . . . A 122 GLY N . 34781 1 1200 . 1 . 1 107 107 ALA H H 1 8.334 0.020 . 1 . . . . A 123 ALA H . 34781 1 1201 . 1 . 1 107 107 ALA HA H 1 4.270 0.020 . 1 . . . . A 123 ALA HA . 34781 1 1202 . 1 . 1 107 107 ALA HB1 H 1 1.265 0.020 . 1 . . . . A 123 ALA HB1 . 34781 1 1203 . 1 . 1 107 107 ALA HB2 H 1 1.265 0.020 . 1 . . . . A 123 ALA HB2 . 34781 1 1204 . 1 . 1 107 107 ALA HB3 H 1 1.265 0.020 . 1 . . . . A 123 ALA HB3 . 34781 1 1205 . 1 . 1 107 107 ALA C C 13 176.043 0.400 . 1 . . . . A 123 ALA C . 34781 1 1206 . 1 . 1 107 107 ALA CA C 13 51.572 0.400 . 1 . . . . A 123 ALA CA . 34781 1 1207 . 1 . 1 107 107 ALA CB C 13 18.987 0.400 . 1 . . . . A 123 ALA CB . 34781 1 1208 . 1 . 1 107 107 ALA N N 15 122.462 0.400 . 1 . . . . A 123 ALA N . 34781 1 1209 . 1 . 1 108 108 VAL H H 1 8.724 0.020 . 1 . . . . A 124 VAL H . 34781 1 1210 . 1 . 1 108 108 VAL HA H 1 4.163 0.020 . 1 . . . . A 124 VAL HA . 34781 1 1211 . 1 . 1 108 108 VAL HB H 1 2.065 0.020 . 1 . . . . A 124 VAL HB . 34781 1 1212 . 1 . 1 108 108 VAL HG11 H 1 0.898 0.020 . 2 . . . . A 124 VAL HG11 . 34781 1 1213 . 1 . 1 108 108 VAL HG12 H 1 0.898 0.020 . 2 . . . . A 124 VAL HG12 . 34781 1 1214 . 1 . 1 108 108 VAL HG13 H 1 0.898 0.020 . 2 . . . . A 124 VAL HG13 . 34781 1 1215 . 1 . 1 108 108 VAL HG21 H 1 0.777 0.020 . 2 . . . . A 124 VAL HG21 . 34781 1 1216 . 1 . 1 108 108 VAL HG22 H 1 0.777 0.020 . 2 . . . . A 124 VAL HG22 . 34781 1 1217 . 1 . 1 108 108 VAL HG23 H 1 0.777 0.020 . 2 . . . . A 124 VAL HG23 . 34781 1 1218 . 1 . 1 108 108 VAL C C 13 173.982 0.400 . 1 . . . . A 124 VAL C . 34781 1 1219 . 1 . 1 108 108 VAL CA C 13 62.076 0.400 . 1 . . . . A 124 VAL CA . 34781 1 1220 . 1 . 1 108 108 VAL CB C 13 31.978 0.400 . 1 . . . . A 124 VAL CB . 34781 1 1221 . 1 . 1 108 108 VAL CG1 C 13 22.216 0.400 . 2 . . . . A 124 VAL CG1 . 34781 1 1222 . 1 . 1 108 108 VAL CG2 C 13 20.044 0.400 . 2 . . . . A 124 VAL CG2 . 34781 1 1223 . 1 . 1 108 108 VAL N N 15 129.131 0.400 . 1 . . . . A 124 VAL N . 34781 1 1224 . 1 . 1 109 109 TYR H H 1 8.119 0.020 . 1 . . . . A 125 TYR H . 34781 1 1225 . 1 . 1 109 109 TYR HA H 1 4.589 0.020 . 1 . . . . A 125 TYR HA . 34781 1 1226 . 1 . 1 109 109 TYR HB2 H 1 3.359 0.020 . 2 . . . . A 125 TYR HB2 . 34781 1 1227 . 1 . 1 109 109 TYR HB3 H 1 2.819 0.020 . 2 . . . . A 125 TYR HB3 . 34781 1 1228 . 1 . 1 109 109 TYR HD1 H 1 7.141 0.020 . 1 . . . . A 125 TYR HD1 . 34781 1 1229 . 1 . 1 109 109 TYR HD2 H 1 7.141 0.020 . 1 . . . . A 125 TYR HD2 . 34781 1 1230 . 1 . 1 109 109 TYR HE1 H 1 6.655 0.020 . 1 . . . . A 125 TYR HE1 . 34781 1 1231 . 1 . 1 109 109 TYR HE2 H 1 6.655 0.020 . 1 . . . . A 125 TYR HE2 . 34781 1 1232 . 1 . 1 109 109 TYR C C 13 178.183 0.400 . 1 . . . . A 125 TYR C . 34781 1 1233 . 1 . 1 109 109 TYR CA C 13 58.490 0.400 . 1 . . . . A 125 TYR CA . 34781 1 1234 . 1 . 1 109 109 TYR CB C 13 39.423 0.400 . 1 . . . . A 125 TYR CB . 34781 1 1235 . 1 . 1 109 109 TYR CD1 C 13 132.954 0.400 . 3 . . . . A 125 TYR CD1 . 34781 1 1236 . 1 . 1 109 109 TYR CE1 C 13 117.981 0.400 . 3 . . . . A 125 TYR CE1 . 34781 1 1237 . 1 . 1 109 109 TYR N N 15 126.113 0.400 . 1 . . . . A 125 TYR N . 34781 1 1238 . 1 . 1 110 110 SER H H 1 11.825 0.020 . 1 . . . . A 126 SER H . 34781 1 1239 . 1 . 1 110 110 SER HA H 1 3.810 0.020 . 1 . . . . A 126 SER HA . 34781 1 1240 . 1 . 1 110 110 SER HB2 H 1 3.915 0.020 . 2 . . . . A 126 SER HB2 . 34781 1 1241 . 1 . 1 110 110 SER HB3 H 1 3.732 0.020 . 2 . . . . A 126 SER HB3 . 34781 1 1242 . 1 . 1 110 110 SER C C 13 177.604 0.400 . 1 . . . . A 126 SER C . 34781 1 1243 . 1 . 1 110 110 SER CA C 13 63.002 0.400 . 1 . . . . A 126 SER CA . 34781 1 1244 . 1 . 1 110 110 SER CB C 13 62.089 0.400 . 1 . . . . A 126 SER CB . 34781 1 1245 . 1 . 1 110 110 SER N N 15 120.324 0.400 . 1 . . . . A 126 SER N . 34781 1 1246 . 1 . 1 111 111 LYS H H 1 8.123 0.020 . 1 . . . . A 127 LYS H . 34781 1 1247 . 1 . 1 111 111 LYS HA H 1 4.242 0.020 . 1 . . . . A 127 LYS HA . 34781 1 1248 . 1 . 1 111 111 LYS HB2 H 1 1.886 0.020 . 2 . . . . A 127 LYS HB2 . 34781 1 1249 . 1 . 1 111 111 LYS HB3 H 1 1.886 0.020 . 2 . . . . A 127 LYS HB3 . 34781 1 1250 . 1 . 1 111 111 LYS HG2 H 1 1.443 0.020 . 2 . . . . A 127 LYS HG2 . 34781 1 1251 . 1 . 1 111 111 LYS HG3 H 1 1.443 0.020 . 2 . . . . A 127 LYS HG3 . 34781 1 1252 . 1 . 1 111 111 LYS HD2 H 1 1.675 0.020 . 2 . . . . A 127 LYS HD2 . 34781 1 1253 . 1 . 1 111 111 LYS HD3 H 1 1.675 0.020 . 2 . . . . A 127 LYS HD3 . 34781 1 1254 . 1 . 1 111 111 LYS HE2 H 1 2.991 0.020 . 2 . . . . A 127 LYS HE2 . 34781 1 1255 . 1 . 1 111 111 LYS HE3 H 1 2.965 0.020 . 2 . . . . A 127 LYS HE3 . 34781 1 1256 . 1 . 1 111 111 LYS C C 13 176.254 0.400 . 1 . . . . A 127 LYS C . 34781 1 1257 . 1 . 1 111 111 LYS CA C 13 57.822 0.400 . 1 . . . . A 127 LYS CA . 34781 1 1258 . 1 . 1 111 111 LYS CB C 13 31.849 0.400 . 1 . . . . A 127 LYS CB . 34781 1 1259 . 1 . 1 111 111 LYS CG C 13 24.599 0.400 . 1 . . . . A 127 LYS CG . 34781 1 1260 . 1 . 1 111 111 LYS CD C 13 29.257 0.400 . 1 . . . . A 127 LYS CD . 34781 1 1261 . 1 . 1 111 111 LYS CE C 13 42.282 0.400 . 1 . . . . A 127 LYS CE . 34781 1 1262 . 1 . 1 111 111 LYS N N 15 119.084 0.400 . 1 . . . . A 127 LYS N . 34781 1 1263 . 1 . 1 112 112 ALA H H 1 7.998 0.020 . 1 . . . . A 128 ALA H . 34781 1 1264 . 1 . 1 112 112 ALA HA H 1 4.482 0.020 . 1 . . . . A 128 ALA HA . 34781 1 1265 . 1 . 1 112 112 ALA HB1 H 1 1.578 0.020 . 1 . . . . A 128 ALA HB1 . 34781 1 1266 . 1 . 1 112 112 ALA HB2 H 1 1.578 0.020 . 1 . . . . A 128 ALA HB2 . 34781 1 1267 . 1 . 1 112 112 ALA HB3 H 1 1.578 0.020 . 1 . . . . A 128 ALA HB3 . 34781 1 1268 . 1 . 1 112 112 ALA C C 13 177.688 0.400 . 1 . . . . A 128 ALA C . 34781 1 1269 . 1 . 1 112 112 ALA CA C 13 51.705 0.400 . 1 . . . . A 128 ALA CA . 34781 1 1270 . 1 . 1 112 112 ALA CB C 13 20.287 0.400 . 1 . . . . A 128 ALA CB . 34781 1 1271 . 1 . 1 112 112 ALA N N 15 121.806 0.400 . 1 . . . . A 128 ALA N . 34781 1 1272 . 1 . 1 113 113 LEU H H 1 7.110 0.020 . 1 . . . . A 129 LEU H . 34781 1 1273 . 1 . 1 113 113 LEU HA H 1 4.208 0.020 . 1 . . . . A 129 LEU HA . 34781 1 1274 . 1 . 1 113 113 LEU HB2 H 1 1.847 0.020 . 2 . . . . A 129 LEU HB2 . 34781 1 1275 . 1 . 1 113 113 LEU HB3 H 1 1.144 0.020 . 2 . . . . A 129 LEU HB3 . 34781 1 1276 . 1 . 1 113 113 LEU HG H 1 1.751 0.020 . 1 . . . . A 129 LEU HG . 34781 1 1277 . 1 . 1 113 113 LEU HD11 H 1 0.786 0.020 . 2 . . . . A 129 LEU HD11 . 34781 1 1278 . 1 . 1 113 113 LEU HD12 H 1 0.786 0.020 . 2 . . . . A 129 LEU HD12 . 34781 1 1279 . 1 . 1 113 113 LEU HD13 H 1 0.786 0.020 . 2 . . . . A 129 LEU HD13 . 34781 1 1280 . 1 . 1 113 113 LEU HD21 H 1 0.616 0.020 . 2 . . . . A 129 LEU HD21 . 34781 1 1281 . 1 . 1 113 113 LEU HD22 H 1 0.616 0.020 . 2 . . . . A 129 LEU HD22 . 34781 1 1282 . 1 . 1 113 113 LEU HD23 H 1 0.616 0.020 . 2 . . . . A 129 LEU HD23 . 34781 1 1283 . 1 . 1 113 113 LEU C C 13 175.207 0.400 . 1 . . . . A 129 LEU C . 34781 1 1284 . 1 . 1 113 113 LEU CA C 13 54.933 0.400 . 1 . . . . A 129 LEU CA . 34781 1 1285 . 1 . 1 113 113 LEU CB C 13 42.647 0.400 . 1 . . . . A 129 LEU CB . 34781 1 1286 . 1 . 1 113 113 LEU CG C 13 26.089 0.400 . 1 . . . . A 129 LEU CG . 34781 1 1287 . 1 . 1 113 113 LEU CD1 C 13 23.007 0.400 . 2 . . . . A 129 LEU CD1 . 34781 1 1288 . 1 . 1 113 113 LEU CD2 C 13 26.770 0.400 . 2 . . . . A 129 LEU CD2 . 34781 1 1289 . 1 . 1 113 113 LEU N N 15 120.301 0.400 . 1 . . . . A 129 LEU N . 34781 1 1290 . 1 . 1 114 114 LYS H H 1 7.611 0.020 . 1 . . . . A 130 LYS H . 34781 1 1291 . 1 . 1 114 114 LYS HA H 1 4.455 0.020 . 1 . . . . A 130 LYS HA . 34781 1 1292 . 1 . 1 114 114 LYS HB2 H 1 1.764 0.020 . 2 . . . . A 130 LYS HB2 . 34781 1 1293 . 1 . 1 114 114 LYS HB3 H 1 1.625 0.020 . 2 . . . . A 130 LYS HB3 . 34781 1 1294 . 1 . 1 114 114 LYS HG2 H 1 1.443 0.020 . 2 . . . . A 130 LYS HG2 . 34781 1 1295 . 1 . 1 114 114 LYS HG3 H 1 1.406 0.020 . 2 . . . . A 130 LYS HG3 . 34781 1 1296 . 1 . 1 114 114 LYS HD2 H 1 1.686 0.020 . 2 . . . . A 130 LYS HD2 . 34781 1 1297 . 1 . 1 114 114 LYS HD3 H 1 1.686 0.020 . 2 . . . . A 130 LYS HD3 . 34781 1 1298 . 1 . 1 114 114 LYS HE2 H 1 3.017 0.020 . 2 . . . . A 130 LYS HE2 . 34781 1 1299 . 1 . 1 114 114 LYS HE3 H 1 3.017 0.020 . 2 . . . . A 130 LYS HE3 . 34781 1 1300 . 1 . 1 114 114 LYS C C 13 174.965 0.400 . 1 . . . . A 130 LYS C . 34781 1 1301 . 1 . 1 114 114 LYS CA C 13 54.160 0.400 . 1 . . . . A 130 LYS CA . 34781 1 1302 . 1 . 1 114 114 LYS CB C 13 34.825 0.400 . 1 . . . . A 130 LYS CB . 34781 1 1303 . 1 . 1 114 114 LYS CG C 13 24.741 0.400 . 1 . . . . A 130 LYS CG . 34781 1 1304 . 1 . 1 114 114 LYS CD C 13 28.991 0.400 . 1 . . . . A 130 LYS CD . 34781 1 1305 . 1 . 1 114 114 LYS CE C 13 42.529 0.400 . 1 . . . . A 130 LYS CE . 34781 1 1306 . 1 . 1 114 114 LYS N N 15 120.683 0.400 . 1 . . . . A 130 LYS N . 34781 1 1307 . 1 . 1 115 115 ASP H H 1 8.441 0.020 . 1 . . . . A 131 ASP H . 34781 1 1308 . 1 . 1 115 115 ASP HA H 1 4.154 0.020 . 1 . . . . A 131 ASP HA . 34781 1 1309 . 1 . 1 115 115 ASP HB2 H 1 2.581 0.020 . 2 . . . . A 131 ASP HB2 . 34781 1 1310 . 1 . 1 115 115 ASP HB3 H 1 2.581 0.020 . 2 . . . . A 131 ASP HB3 . 34781 1 1311 . 1 . 1 115 115 ASP C C 13 177.156 0.400 . 1 . . . . A 131 ASP C . 34781 1 1312 . 1 . 1 115 115 ASP CA C 13 56.746 0.400 . 1 . . . . A 131 ASP CA . 34781 1 1313 . 1 . 1 115 115 ASP CB C 13 42.143 0.400 . 1 . . . . A 131 ASP CB . 34781 1 1314 . 1 . 1 115 115 ASP N N 15 120.202 0.400 . 1 . . . . A 131 ASP N . 34781 1 1315 . 1 . 1 116 116 ASN H H 1 8.894 0.020 . 1 . . . . A 132 ASN H . 34781 1 1316 . 1 . 1 116 116 ASN HA H 1 4.314 0.020 . 1 . . . . A 132 ASN HA . 34781 1 1317 . 1 . 1 116 116 ASN HB2 H 1 3.095 0.020 . 2 . . . . A 132 ASN HB2 . 34781 1 1318 . 1 . 1 116 116 ASN HB3 H 1 2.827 0.020 . 2 . . . . A 132 ASN HB3 . 34781 1 1319 . 1 . 1 116 116 ASN HD21 H 1 7.387 0.020 . 2 . . . . A 132 ASN HD21 . 34781 1 1320 . 1 . 1 116 116 ASN HD22 H 1 6.561 0.020 . 2 . . . . A 132 ASN HD22 . 34781 1 1321 . 1 . 1 116 116 ASN C C 13 174.205 0.400 . 1 . . . . A 132 ASN C . 34781 1 1322 . 1 . 1 116 116 ASN CA C 13 55.021 0.400 . 1 . . . . A 132 ASN CA . 34781 1 1323 . 1 . 1 116 116 ASN CB C 13 38.216 0.400 . 1 . . . . A 132 ASN CB . 34781 1 1324 . 1 . 1 116 116 ASN N N 15 120.805 0.400 . 1 . . . . A 132 ASN N . 34781 1 1325 . 1 . 1 116 116 ASN ND2 N 15 112.034 0.400 . 1 . . . . A 132 ASN ND2 . 34781 1 1326 . 1 . 1 117 117 ALA H H 1 7.719 0.020 . 1 . . . . A 133 ALA H . 34781 1 1327 . 1 . 1 117 117 ALA HA H 1 4.381 0.020 . 1 . . . . A 133 ALA HA . 34781 1 1328 . 1 . 1 117 117 ALA HB1 H 1 1.408 0.020 . 1 . . . . A 133 ALA HB1 . 34781 1 1329 . 1 . 1 117 117 ALA HB2 H 1 1.408 0.020 . 1 . . . . A 133 ALA HB2 . 34781 1 1330 . 1 . 1 117 117 ALA HB3 H 1 1.408 0.020 . 1 . . . . A 133 ALA HB3 . 34781 1 1331 . 1 . 1 117 117 ALA C C 13 176.479 0.400 . 1 . . . . A 133 ALA C . 34781 1 1332 . 1 . 1 117 117 ALA CA C 13 52.674 0.400 . 1 . . . . A 133 ALA CA . 34781 1 1333 . 1 . 1 117 117 ALA CB C 13 20.081 0.400 . 1 . . . . A 133 ALA CB . 34781 1 1334 . 1 . 1 117 117 ALA N N 15 122.312 0.400 . 1 . . . . A 133 ALA N . 34781 1 1335 . 1 . 1 118 118 THR H H 1 8.281 0.020 . 1 . . . . A 134 THR H . 34781 1 1336 . 1 . 1 118 118 THR HA H 1 5.166 0.020 . 1 . . . . A 134 THR HA . 34781 1 1337 . 1 . 1 118 118 THR HB H 1 4.005 0.020 . 1 . . . . A 134 THR HB . 34781 1 1338 . 1 . 1 118 118 THR HG1 H 1 4.634 0.020 . 1 . . . . A 134 THR HG1 . 34781 1 1339 . 1 . 1 118 118 THR HG21 H 1 1.208 0.020 . 1 . . . . A 134 THR HG21 . 34781 1 1340 . 1 . 1 118 118 THR HG22 H 1 1.208 0.020 . 1 . . . . A 134 THR HG22 . 34781 1 1341 . 1 . 1 118 118 THR HG23 H 1 1.208 0.020 . 1 . . . . A 134 THR HG23 . 34781 1 1342 . 1 . 1 118 118 THR C C 13 174.689 0.400 . 1 . . . . A 134 THR C . 34781 1 1343 . 1 . 1 118 118 THR CA C 13 61.530 0.400 . 1 . . . . A 134 THR CA . 34781 1 1344 . 1 . 1 118 118 THR CB C 13 70.651 0.400 . 1 . . . . A 134 THR CB . 34781 1 1345 . 1 . 1 118 118 THR CG2 C 13 21.981 0.400 . 1 . . . . A 134 THR CG2 . 34781 1 1346 . 1 . 1 118 118 THR N N 15 115.654 0.400 . 1 . . . . A 134 THR N . 34781 1 1347 . 1 . 1 119 119 VAL H H 1 9.172 0.020 . 1 . . . . A 135 VAL H . 34781 1 1348 . 1 . 1 119 119 VAL HA H 1 4.488 0.020 . 1 . . . . A 135 VAL HA . 34781 1 1349 . 1 . 1 119 119 VAL HB H 1 1.956 0.020 . 1 . . . . A 135 VAL HB . 34781 1 1350 . 1 . 1 119 119 VAL HG11 H 1 0.947 0.020 . 2 . . . . A 135 VAL HG11 . 34781 1 1351 . 1 . 1 119 119 VAL HG12 H 1 0.947 0.020 . 2 . . . . A 135 VAL HG12 . 34781 1 1352 . 1 . 1 119 119 VAL HG13 H 1 0.947 0.020 . 2 . . . . A 135 VAL HG13 . 34781 1 1353 . 1 . 1 119 119 VAL HG21 H 1 0.823 0.020 . 2 . . . . A 135 VAL HG21 . 34781 1 1354 . 1 . 1 119 119 VAL HG22 H 1 0.823 0.020 . 2 . . . . A 135 VAL HG22 . 34781 1 1355 . 1 . 1 119 119 VAL HG23 H 1 0.823 0.020 . 2 . . . . A 135 VAL HG23 . 34781 1 1356 . 1 . 1 119 119 VAL C C 13 173.985 0.400 . 1 . . . . A 135 VAL C . 34781 1 1357 . 1 . 1 119 119 VAL CA C 13 60.550 0.400 . 1 . . . . A 135 VAL CA . 34781 1 1358 . 1 . 1 119 119 VAL CB C 13 34.822 0.400 . 1 . . . . A 135 VAL CB . 34781 1 1359 . 1 . 1 119 119 VAL CG1 C 13 22.263 0.400 . 2 . . . . A 135 VAL CG1 . 34781 1 1360 . 1 . 1 119 119 VAL CG2 C 13 20.188 0.400 . 2 . . . . A 135 VAL CG2 . 34781 1 1361 . 1 . 1 119 119 VAL N N 15 124.322 0.400 . 1 . . . . A 135 VAL N . 34781 1 1362 . 1 . 1 120 120 ALA H H 1 8.342 0.020 . 1 . . . . A 136 ALA H . 34781 1 1363 . 1 . 1 120 120 ALA HA H 1 4.449 0.020 . 1 . . . . A 136 ALA HA . 34781 1 1364 . 1 . 1 120 120 ALA HB1 H 1 1.494 0.020 . 1 . . . . A 136 ALA HB1 . 34781 1 1365 . 1 . 1 120 120 ALA HB2 H 1 1.494 0.020 . 1 . . . . A 136 ALA HB2 . 34781 1 1366 . 1 . 1 120 120 ALA HB3 H 1 1.494 0.020 . 1 . . . . A 136 ALA HB3 . 34781 1 1367 . 1 . 1 120 120 ALA C C 13 177.752 0.400 . 1 . . . . A 136 ALA C . 34781 1 1368 . 1 . 1 120 120 ALA CA C 13 53.187 0.400 . 1 . . . . A 136 ALA CA . 34781 1 1369 . 1 . 1 120 120 ALA CB C 13 19.486 0.400 . 1 . . . . A 136 ALA CB . 34781 1 1370 . 1 . 1 120 120 ALA N N 15 128.440 0.400 . 1 . . . . A 136 ALA N . 34781 1 1371 . 1 . 1 121 121 THR H H 1 7.705 0.020 . 1 . . . . A 137 THR H . 34781 1 1372 . 1 . 1 121 121 THR HA H 1 5.305 0.020 . 1 . . . . A 137 THR HA . 34781 1 1373 . 1 . 1 121 121 THR HB H 1 4.870 0.020 . 1 . . . . A 137 THR HB . 34781 1 1374 . 1 . 1 121 121 THR HG1 H 1 4.281 0.020 . 1 . . . . A 137 THR HG1 . 34781 1 1375 . 1 . 1 121 121 THR HG21 H 1 1.008 0.020 . 1 . . . . A 137 THR HG21 . 34781 1 1376 . 1 . 1 121 121 THR HG22 H 1 1.008 0.020 . 1 . . . . A 137 THR HG22 . 34781 1 1377 . 1 . 1 121 121 THR HG23 H 1 1.008 0.020 . 1 . . . . A 137 THR HG23 . 34781 1 1378 . 1 . 1 121 121 THR C C 13 175.207 0.400 . 1 . . . . A 137 THR C . 34781 1 1379 . 1 . 1 121 121 THR CA C 13 61.710 0.400 . 1 . . . . A 137 THR CA . 34781 1 1380 . 1 . 1 121 121 THR CB C 13 72.440 0.400 . 1 . . . . A 137 THR CB . 34781 1 1381 . 1 . 1 121 121 THR CG2 C 13 21.619 0.400 . 1 . . . . A 137 THR CG2 . 34781 1 1382 . 1 . 1 121 121 THR N N 15 110.357 0.400 . 1 . . . . A 137 THR N . 34781 1 1383 . 1 . 1 122 122 ALA H H 1 8.341 0.020 . 1 . . . . A 138 ALA H . 34781 1 1384 . 1 . 1 122 122 ALA HA H 1 4.178 0.020 . 1 . . . . A 138 ALA HA . 34781 1 1385 . 1 . 1 122 122 ALA HB1 H 1 1.271 0.020 . 1 . . . . A 138 ALA HB1 . 34781 1 1386 . 1 . 1 122 122 ALA HB2 H 1 1.271 0.020 . 1 . . . . A 138 ALA HB2 . 34781 1 1387 . 1 . 1 122 122 ALA HB3 H 1 1.271 0.020 . 1 . . . . A 138 ALA HB3 . 34781 1 1388 . 1 . 1 122 122 ALA C C 13 176.450 0.400 . 1 . . . . A 138 ALA C . 34781 1 1389 . 1 . 1 122 122 ALA CA C 13 52.757 0.400 . 1 . . . . A 138 ALA CA . 34781 1 1390 . 1 . 1 122 122 ALA CB C 13 17.375 0.400 . 1 . . . . A 138 ALA CB . 34781 1 1391 . 1 . 1 122 122 ALA N N 15 120.371 0.400 . 1 . . . . A 138 ALA N . 34781 1 1392 . 1 . 1 123 123 LEU H H 1 8.198 0.020 . 1 . . . . A 139 LEU H . 34781 1 1393 . 1 . 1 123 123 LEU HA H 1 4.403 0.020 . 1 . . . . A 139 LEU HA . 34781 1 1394 . 1 . 1 123 123 LEU HB2 H 1 2.077 0.020 . 2 . . . . A 139 LEU HB2 . 34781 1 1395 . 1 . 1 123 123 LEU HB3 H 1 1.124 0.020 . 2 . . . . A 139 LEU HB3 . 34781 1 1396 . 1 . 1 123 123 LEU HG H 1 1.512 0.020 . 1 . . . . A 139 LEU HG . 34781 1 1397 . 1 . 1 123 123 LEU HD11 H 1 1.072 0.020 . 2 . . . . A 139 LEU HD11 . 34781 1 1398 . 1 . 1 123 123 LEU HD12 H 1 1.072 0.020 . 2 . . . . A 139 LEU HD12 . 34781 1 1399 . 1 . 1 123 123 LEU HD13 H 1 1.072 0.020 . 2 . . . . A 139 LEU HD13 . 34781 1 1400 . 1 . 1 123 123 LEU HD21 H 1 0.853 0.020 . 2 . . . . A 139 LEU HD21 . 34781 1 1401 . 1 . 1 123 123 LEU HD22 H 1 0.853 0.020 . 2 . . . . A 139 LEU HD22 . 34781 1 1402 . 1 . 1 123 123 LEU HD23 H 1 0.853 0.020 . 2 . . . . A 139 LEU HD23 . 34781 1 1403 . 1 . 1 123 123 LEU C C 13 174.769 0.400 . 1 . . . . A 139 LEU C . 34781 1 1404 . 1 . 1 123 123 LEU CA C 13 53.522 0.400 . 1 . . . . A 139 LEU CA . 34781 1 1405 . 1 . 1 123 123 LEU CB C 13 42.002 0.400 . 1 . . . . A 139 LEU CB . 34781 1 1406 . 1 . 1 123 123 LEU CG C 13 26.708 0.400 . 1 . . . . A 139 LEU CG . 34781 1 1407 . 1 . 1 123 123 LEU CD1 C 13 23.778 0.400 . 2 . . . . A 139 LEU CD1 . 34781 1 1408 . 1 . 1 123 123 LEU CD2 C 13 26.800 0.400 . 2 . . . . A 139 LEU CD2 . 34781 1 1409 . 1 . 1 123 123 LEU N N 15 123.023 0.400 . 1 . . . . A 139 LEU N . 34781 1 1410 . 1 . 1 124 124 LYS H H 1 8.290 0.020 . 1 . . . . A 140 LYS H . 34781 1 1411 . 1 . 1 124 124 LYS HA H 1 3.940 0.020 . 1 . . . . A 140 LYS HA . 34781 1 1412 . 1 . 1 124 124 LYS HB2 H 1 1.825 0.020 . 2 . . . . A 140 LYS HB2 . 34781 1 1413 . 1 . 1 124 124 LYS HB3 H 1 1.688 0.020 . 2 . . . . A 140 LYS HB3 . 34781 1 1414 . 1 . 1 124 124 LYS HG2 H 1 1.428 0.020 . 2 . . . . A 140 LYS HG2 . 34781 1 1415 . 1 . 1 124 124 LYS HG3 H 1 1.383 0.020 . 2 . . . . A 140 LYS HG3 . 34781 1 1416 . 1 . 1 124 124 LYS HD2 H 1 1.673 0.020 . 2 . . . . A 140 LYS HD2 . 34781 1 1417 . 1 . 1 124 124 LYS HD3 H 1 1.673 0.020 . 2 . . . . A 140 LYS HD3 . 34781 1 1418 . 1 . 1 124 124 LYS HE2 H 1 3.056 0.020 . 2 . . . . A 140 LYS HE2 . 34781 1 1419 . 1 . 1 124 124 LYS HE3 H 1 3.056 0.020 . 2 . . . . A 140 LYS HE3 . 34781 1 1420 . 1 . 1 124 124 LYS C C 13 176.208 0.400 . 1 . . . . A 140 LYS C . 34781 1 1421 . 1 . 1 124 124 LYS CA C 13 58.608 0.400 . 1 . . . . A 140 LYS CA . 34781 1 1422 . 1 . 1 124 124 LYS CB C 13 32.513 0.400 . 1 . . . . A 140 LYS CB . 34781 1 1423 . 1 . 1 124 124 LYS CG C 13 24.438 0.400 . 1 . . . . A 140 LYS CG . 34781 1 1424 . 1 . 1 124 124 LYS CD C 13 29.404 0.400 . 1 . . . . A 140 LYS CD . 34781 1 1425 . 1 . 1 124 124 LYS CE C 13 42.421 0.400 . 1 . . . . A 140 LYS CE . 34781 1 1426 . 1 . 1 124 124 LYS N N 15 128.984 0.400 . 1 . . . . A 140 LYS N . 34781 1 1427 . 1 . 1 125 125 ASP H H 1 8.579 0.020 . 1 . . . . A 141 ASP H . 34781 1 1428 . 1 . 1 125 125 ASP HA H 1 4.321 0.020 . 1 . . . . A 141 ASP HA . 34781 1 1429 . 1 . 1 125 125 ASP HB2 H 1 2.944 0.020 . 2 . . . . A 141 ASP HB2 . 34781 1 1430 . 1 . 1 125 125 ASP HB3 H 1 2.944 0.020 . 2 . . . . A 141 ASP HB3 . 34781 1 1431 . 1 . 1 125 125 ASP C C 13 174.179 0.400 . 1 . . . . A 141 ASP C . 34781 1 1432 . 1 . 1 125 125 ASP CA C 13 56.601 0.400 . 1 . . . . A 141 ASP CA . 34781 1 1433 . 1 . 1 125 125 ASP CB C 13 39.701 0.400 . 1 . . . . A 141 ASP CB . 34781 1 1434 . 1 . 1 125 125 ASP N N 15 118.875 0.400 . 1 . . . . A 141 ASP N . 34781 1 1435 . 1 . 1 126 126 ALA H H 1 8.104 0.020 . 1 . . . . A 142 ALA H . 34781 1 1436 . 1 . 1 126 126 ALA HA H 1 4.990 0.020 . 1 . . . . A 142 ALA HA . 34781 1 1437 . 1 . 1 126 126 ALA HB1 H 1 1.370 0.020 . 1 . . . . A 142 ALA HB1 . 34781 1 1438 . 1 . 1 126 126 ALA HB2 H 1 1.370 0.020 . 1 . . . . A 142 ALA HB2 . 34781 1 1439 . 1 . 1 126 126 ALA HB3 H 1 1.370 0.020 . 1 . . . . A 142 ALA HB3 . 34781 1 1440 . 1 . 1 126 126 ALA C C 13 176.215 0.400 . 1 . . . . A 142 ALA C . 34781 1 1441 . 1 . 1 126 126 ALA CA C 13 51.782 0.400 . 1 . . . . A 142 ALA CA . 34781 1 1442 . 1 . 1 126 126 ALA CB C 13 21.074 0.400 . 1 . . . . A 142 ALA CB . 34781 1 1443 . 1 . 1 126 126 ALA N N 15 122.913 0.400 . 1 . . . . A 142 ALA N . 34781 1 1444 . 1 . 1 127 127 SER H H 1 8.995 0.020 . 1 . . . . A 143 SER H . 34781 1 1445 . 1 . 1 127 127 SER HA H 1 5.461 0.020 . 1 . . . . A 143 SER HA . 34781 1 1446 . 1 . 1 127 127 SER HB2 H 1 3.817 0.020 . 2 . . . . A 143 SER HB2 . 34781 1 1447 . 1 . 1 127 127 SER HB3 H 1 3.752 0.020 . 2 . . . . A 143 SER HB3 . 34781 1 1448 . 1 . 1 127 127 SER C C 13 173.894 0.400 . 1 . . . . A 143 SER C . 34781 1 1449 . 1 . 1 127 127 SER CA C 13 57.574 0.400 . 1 . . . . A 143 SER CA . 34781 1 1450 . 1 . 1 127 127 SER CB C 13 66.515 0.400 . 1 . . . . A 143 SER CB . 34781 1 1451 . 1 . 1 127 127 SER N N 15 121.369 0.400 . 1 . . . . A 143 SER N . 34781 1 1452 . 1 . 1 128 128 VAL H H 1 9.023 0.020 . 1 . . . . A 144 VAL H . 34781 1 1453 . 1 . 1 128 128 VAL HA H 1 4.806 0.020 . 1 . . . . A 144 VAL HA . 34781 1 1454 . 1 . 1 128 128 VAL HB H 1 1.737 0.020 . 1 . . . . A 144 VAL HB . 34781 1 1455 . 1 . 1 128 128 VAL HG11 H 1 0.491 0.020 . 2 . . . . A 144 VAL HG11 . 34781 1 1456 . 1 . 1 128 128 VAL HG12 H 1 0.491 0.020 . 2 . . . . A 144 VAL HG12 . 34781 1 1457 . 1 . 1 128 128 VAL HG13 H 1 0.491 0.020 . 2 . . . . A 144 VAL HG13 . 34781 1 1458 . 1 . 1 128 128 VAL HG21 H 1 0.700 0.020 . 2 . . . . A 144 VAL HG21 . 34781 1 1459 . 1 . 1 128 128 VAL HG22 H 1 0.700 0.020 . 2 . . . . A 144 VAL HG22 . 34781 1 1460 . 1 . 1 128 128 VAL HG23 H 1 0.700 0.020 . 2 . . . . A 144 VAL HG23 . 34781 1 1461 . 1 . 1 128 128 VAL C C 13 173.872 0.400 . 1 . . . . A 144 VAL C . 34781 1 1462 . 1 . 1 128 128 VAL CA C 13 60.330 0.400 . 1 . . . . A 144 VAL CA . 34781 1 1463 . 1 . 1 128 128 VAL CB C 13 35.756 0.400 . 1 . . . . A 144 VAL CB . 34781 1 1464 . 1 . 1 128 128 VAL CG1 C 13 21.237 0.400 . 2 . . . . A 144 VAL CG1 . 34781 1 1465 . 1 . 1 128 128 VAL CG2 C 13 20.471 0.400 . 2 . . . . A 144 VAL CG2 . 34781 1 1466 . 1 . 1 128 128 VAL N N 15 120.162 0.400 . 1 . . . . A 144 VAL N . 34781 1 1467 . 1 . 1 129 129 THR H H 1 8.433 0.020 . 1 . . . . A 145 THR H . 34781 1 1468 . 1 . 1 129 129 THR HA H 1 5.429 0.020 . 1 . . . . A 145 THR HA . 34781 1 1469 . 1 . 1 129 129 THR HB H 1 3.889 0.020 . 1 . . . . A 145 THR HB . 34781 1 1470 . 1 . 1 129 129 THR HG1 H 1 4.634 0.020 . 1 . . . . A 145 THR HG1 . 34781 1 1471 . 1 . 1 129 129 THR HG21 H 1 1.125 0.020 . 1 . . . . A 145 THR HG21 . 34781 1 1472 . 1 . 1 129 129 THR HG22 H 1 1.125 0.020 . 1 . . . . A 145 THR HG22 . 34781 1 1473 . 1 . 1 129 129 THR HG23 H 1 1.125 0.020 . 1 . . . . A 145 THR HG23 . 34781 1 1474 . 1 . 1 129 129 THR C C 13 173.305 0.400 . 1 . . . . A 145 THR C . 34781 1 1475 . 1 . 1 129 129 THR CA C 13 61.593 0.400 . 1 . . . . A 145 THR CA . 34781 1 1476 . 1 . 1 129 129 THR CB C 13 71.471 0.400 . 1 . . . . A 145 THR CB . 34781 1 1477 . 1 . 1 129 129 THR CG2 C 13 21.483 0.400 . 1 . . . . A 145 THR CG2 . 34781 1 1478 . 1 . 1 129 129 THR N N 15 119.182 0.400 . 1 . . . . A 145 THR N . 34781 1 1479 . 1 . 1 130 130 VAL H H 1 8.914 0.020 . 1 . . . . A 146 VAL H . 34781 1 1480 . 1 . 1 130 130 VAL HA H 1 4.353 0.020 . 1 . . . . A 146 VAL HA . 34781 1 1481 . 1 . 1 130 130 VAL HB H 1 2.111 0.020 . 1 . . . . A 146 VAL HB . 34781 1 1482 . 1 . 1 130 130 VAL HG11 H 1 0.572 0.020 . 2 . . . . A 146 VAL HG11 . 34781 1 1483 . 1 . 1 130 130 VAL HG12 H 1 0.572 0.020 . 2 . . . . A 146 VAL HG12 . 34781 1 1484 . 1 . 1 130 130 VAL HG13 H 1 0.572 0.020 . 2 . . . . A 146 VAL HG13 . 34781 1 1485 . 1 . 1 130 130 VAL HG21 H 1 0.760 0.020 . 2 . . . . A 146 VAL HG21 . 34781 1 1486 . 1 . 1 130 130 VAL HG22 H 1 0.760 0.020 . 2 . . . . A 146 VAL HG22 . 34781 1 1487 . 1 . 1 130 130 VAL HG23 H 1 0.760 0.020 . 2 . . . . A 146 VAL HG23 . 34781 1 1488 . 1 . 1 130 130 VAL C C 13 175.679 0.400 . 1 . . . . A 146 VAL C . 34781 1 1489 . 1 . 1 130 130 VAL CA C 13 61.614 0.400 . 1 . . . . A 146 VAL CA . 34781 1 1490 . 1 . 1 130 130 VAL CB C 13 33.494 0.400 . 1 . . . . A 146 VAL CB . 34781 1 1491 . 1 . 1 130 130 VAL CG1 C 13 22.231 0.400 . 2 . . . . A 146 VAL CG1 . 34781 1 1492 . 1 . 1 130 130 VAL CG2 C 13 21.955 0.400 . 2 . . . . A 146 VAL CG2 . 34781 1 1493 . 1 . 1 130 130 VAL N N 15 127.758 0.400 . 1 . . . . A 146 VAL N . 34781 1 1494 . 1 . 1 131 131 ARG H H 1 8.867 0.020 . 1 . . . . A 147 ARG H . 34781 1 1495 . 1 . 1 131 131 ARG HA H 1 5.080 0.020 . 1 . . . . A 147 ARG HA . 34781 1 1496 . 1 . 1 131 131 ARG HB2 H 1 1.642 0.020 . 2 . . . . A 147 ARG HB2 . 34781 1 1497 . 1 . 1 131 131 ARG HB3 H 1 1.490 0.020 . 2 . . . . A 147 ARG HB3 . 34781 1 1498 . 1 . 1 131 131 ARG HG2 H 1 1.633 0.020 . 2 . . . . A 147 ARG HG2 . 34781 1 1499 . 1 . 1 131 131 ARG HG3 H 1 1.331 0.020 . 2 . . . . A 147 ARG HG3 . 34781 1 1500 . 1 . 1 131 131 ARG HD2 H 1 3.314 0.020 . 2 . . . . A 147 ARG HD2 . 34781 1 1501 . 1 . 1 131 131 ARG HD3 H 1 3.208 0.020 . 2 . . . . A 147 ARG HD3 . 34781 1 1502 . 1 . 1 131 131 ARG C C 13 173.800 0.400 . 1 . . . . A 147 ARG C . 34781 1 1503 . 1 . 1 131 131 ARG CA C 13 52.914 0.400 . 1 . . . . A 147 ARG CA . 34781 1 1504 . 1 . 1 131 131 ARG CB C 13 32.819 0.400 . 1 . . . . A 147 ARG CB . 34781 1 1505 . 1 . 1 131 131 ARG CG C 13 26.193 0.400 . 1 . . . . A 147 ARG CG . 34781 1 1506 . 1 . 1 131 131 ARG CD C 13 42.024 0.400 . 1 . . . . A 147 ARG CD . 34781 1 1507 . 1 . 1 131 131 ARG N N 15 125.764 0.400 . 1 . . . . A 147 ARG N . 34781 1 1508 . 1 . 1 132 132 LEU H H 1 8.594 0.020 . 1 . . . . A 148 LEU H . 34781 1 1509 . 1 . 1 132 132 LEU HA H 1 5.069 0.020 . 1 . . . . A 148 LEU HA . 34781 1 1510 . 1 . 1 132 132 LEU HB2 H 1 1.529 0.020 . 2 . . . . A 148 LEU HB2 . 34781 1 1511 . 1 . 1 132 132 LEU HB3 H 1 1.444 0.020 . 2 . . . . A 148 LEU HB3 . 34781 1 1512 . 1 . 1 132 132 LEU HG H 1 1.363 0.020 . 1 . . . . A 148 LEU HG . 34781 1 1513 . 1 . 1 132 132 LEU HD11 H 1 0.788 0.020 . 2 . . . . A 148 LEU HD11 . 34781 1 1514 . 1 . 1 132 132 LEU HD12 H 1 0.788 0.020 . 2 . . . . A 148 LEU HD12 . 34781 1 1515 . 1 . 1 132 132 LEU HD13 H 1 0.788 0.020 . 2 . . . . A 148 LEU HD13 . 34781 1 1516 . 1 . 1 132 132 LEU HD21 H 1 0.704 0.020 . 2 . . . . A 148 LEU HD21 . 34781 1 1517 . 1 . 1 132 132 LEU HD22 H 1 0.704 0.020 . 2 . . . . A 148 LEU HD22 . 34781 1 1518 . 1 . 1 132 132 LEU HD23 H 1 0.704 0.020 . 2 . . . . A 148 LEU HD23 . 34781 1 1519 . 1 . 1 132 132 LEU C C 13 176.424 0.400 . 1 . . . . A 148 LEU C . 34781 1 1520 . 1 . 1 132 132 LEU CA C 13 53.199 0.400 . 1 . . . . A 148 LEU CA . 34781 1 1521 . 1 . 1 132 132 LEU CB C 13 42.842 0.400 . 1 . . . . A 148 LEU CB . 34781 1 1522 . 1 . 1 132 132 LEU CG C 13 27.653 0.400 . 1 . . . . A 148 LEU CG . 34781 1 1523 . 1 . 1 132 132 LEU CD1 C 13 25.662 0.400 . 2 . . . . A 148 LEU CD1 . 34781 1 1524 . 1 . 1 132 132 LEU CD2 C 13 24.374 0.400 . 2 . . . . A 148 LEU CD2 . 34781 1 1525 . 1 . 1 132 132 LEU N N 15 123.990 0.400 . 1 . . . . A 148 LEU N . 34781 1 1526 . 1 . 1 133 133 TYR H H 1 8.272 0.020 . 1 . . . . A 149 TYR H . 34781 1 1527 . 1 . 1 133 133 TYR HA H 1 4.733 0.020 . 1 . . . . A 149 TYR HA . 34781 1 1528 . 1 . 1 133 133 TYR HB2 H 1 2.799 0.020 . 2 . . . . A 149 TYR HB2 . 34781 1 1529 . 1 . 1 133 133 TYR HB3 H 1 2.799 0.020 . 2 . . . . A 149 TYR HB3 . 34781 1 1530 . 1 . 1 133 133 TYR HD1 H 1 7.056 0.020 . 1 . . . . A 149 TYR HD1 . 34781 1 1531 . 1 . 1 133 133 TYR HD2 H 1 7.056 0.020 . 1 . . . . A 149 TYR HD2 . 34781 1 1532 . 1 . 1 133 133 TYR HE1 H 1 6.780 0.020 . 1 . . . . A 149 TYR HE1 . 34781 1 1533 . 1 . 1 133 133 TYR HE2 H 1 6.780 0.020 . 1 . . . . A 149 TYR HE2 . 34781 1 1534 . 1 . 1 133 133 TYR C C 13 174.506 0.400 . 1 . . . . A 149 TYR C . 34781 1 1535 . 1 . 1 133 133 TYR CA C 13 57.278 0.400 . 1 . . . . A 149 TYR CA . 34781 1 1536 . 1 . 1 133 133 TYR CB C 13 40.814 0.400 . 1 . . . . A 149 TYR CB . 34781 1 1537 . 1 . 1 133 133 TYR CD1 C 13 133.348 0.400 . 3 . . . . A 149 TYR CD1 . 34781 1 1538 . 1 . 1 133 133 TYR CE1 C 13 118.418 0.400 . 3 . . . . A 149 TYR CE1 . 34781 1 1539 . 1 . 1 133 133 TYR N N 15 122.878 0.400 . 1 . . . . A 149 TYR N . 34781 1 1540 . 1 . 1 134 134 GLN HA H 1 3.734 0.020 . 1 . . . . A 150 GLN HA . 34781 1 1541 . 1 . 1 134 134 GLN HB2 H 1 1.902 0.020 . 2 . . . . A 150 GLN HB2 . 34781 1 1542 . 1 . 1 134 134 GLN HB3 H 1 1.902 0.020 . 2 . . . . A 150 GLN HB3 . 34781 1 1543 . 1 . 1 134 134 GLN HG2 H 1 1.923 0.020 . 2 . . . . A 150 GLN HG2 . 34781 1 1544 . 1 . 1 134 134 GLN HG3 H 1 1.650 0.020 . 2 . . . . A 150 GLN HG3 . 34781 1 1545 . 1 . 1 134 134 GLN HE21 H 1 7.164 0.020 . 2 . . . . A 150 GLN HE21 . 34781 1 1546 . 1 . 1 134 134 GLN HE22 H 1 6.708 0.020 . 2 . . . . A 150 GLN HE22 . 34781 1 1547 . 1 . 1 134 134 GLN C C 13 175.713 0.400 . 1 . . . . A 150 GLN C . 34781 1 1548 . 1 . 1 134 134 GLN CA C 13 56.803 0.400 . 1 . . . . A 150 GLN CA . 34781 1 1549 . 1 . 1 134 134 GLN CB C 13 33.605 0.400 . 1 . . . . A 150 GLN CB . 34781 1 1550 . 1 . 1 134 134 GLN CG C 13 33.820 0.400 . 1 . . . . A 150 GLN CG . 34781 1 1551 . 1 . 1 134 134 GLN NE2 N 15 111.165 0.400 . 1 . . . . A 150 GLN NE2 . 34781 1 1552 . 1 . 1 135 135 GLY H H 1 8.398 0.020 . 1 . . . . A 151 GLY H . 34781 1 1553 . 1 . 1 135 135 GLY HA2 H 1 4.134 0.020 . 2 . . . . A 151 GLY HA2 . 34781 1 1554 . 1 . 1 135 135 GLY HA3 H 1 3.587 0.020 . 2 . . . . A 151 GLY HA3 . 34781 1 1555 . 1 . 1 135 135 GLY C C 13 174.073 0.400 . 1 . . . . A 151 GLY C . 34781 1 1556 . 1 . 1 135 135 GLY CA C 13 45.715 0.400 . 1 . . . . A 151 GLY CA . 34781 1 1557 . 1 . 1 135 135 GLY N N 15 105.264 0.400 . 1 . . . . A 151 GLY N . 34781 1 1558 . 1 . 1 136 136 LYS H H 1 7.987 0.020 . 1 . . . . A 152 LYS H . 34781 1 1559 . 1 . 1 136 136 LYS HA H 1 4.582 0.020 . 1 . . . . A 152 LYS HA . 34781 1 1560 . 1 . 1 136 136 LYS HB2 H 1 1.940 0.020 . 2 . . . . A 152 LYS HB2 . 34781 1 1561 . 1 . 1 136 136 LYS HB3 H 1 1.683 0.020 . 2 . . . . A 152 LYS HB3 . 34781 1 1562 . 1 . 1 136 136 LYS HG2 H 1 1.435 0.020 . 2 . . . . A 152 LYS HG2 . 34781 1 1563 . 1 . 1 136 136 LYS HG3 H 1 1.435 0.020 . 2 . . . . A 152 LYS HG3 . 34781 1 1564 . 1 . 1 136 136 LYS HD2 H 1 1.604 0.020 . 2 . . . . A 152 LYS HD2 . 34781 1 1565 . 1 . 1 136 136 LYS HD3 H 1 1.604 0.020 . 2 . . . . A 152 LYS HD3 . 34781 1 1566 . 1 . 1 136 136 LYS HE2 H 1 3.028 0.020 . 2 . . . . A 152 LYS HE2 . 34781 1 1567 . 1 . 1 136 136 LYS HE3 H 1 3.028 0.020 . 2 . . . . A 152 LYS HE3 . 34781 1 1568 . 1 . 1 136 136 LYS C C 13 175.614 0.400 . 1 . . . . A 152 LYS C . 34781 1 1569 . 1 . 1 136 136 LYS CA C 13 54.724 0.400 . 1 . . . . A 152 LYS CA . 34781 1 1570 . 1 . 1 136 136 LYS CB C 13 34.501 0.400 . 1 . . . . A 152 LYS CB . 34781 1 1571 . 1 . 1 136 136 LYS CG C 13 24.943 0.400 . 1 . . . . A 152 LYS CG . 34781 1 1572 . 1 . 1 136 136 LYS CD C 13 29.181 0.400 . 1 . . . . A 152 LYS CD . 34781 1 1573 . 1 . 1 136 136 LYS CE C 13 42.454 0.400 . 1 . . . . A 152 LYS CE . 34781 1 1574 . 1 . 1 136 136 LYS N N 15 120.605 0.400 . 1 . . . . A 152 LYS N . 34781 1 1575 . 1 . 1 137 137 VAL H H 1 8.861 0.020 . 1 . . . . A 153 VAL H . 34781 1 1576 . 1 . 1 137 137 VAL HA H 1 4.100 0.020 . 1 . . . . A 153 VAL HA . 34781 1 1577 . 1 . 1 137 137 VAL HB H 1 1.716 0.020 . 1 . . . . A 153 VAL HB . 34781 1 1578 . 1 . 1 137 137 VAL HG11 H 1 0.283 0.020 . 2 . . . . A 153 VAL HG11 . 34781 1 1579 . 1 . 1 137 137 VAL HG12 H 1 0.283 0.020 . 2 . . . . A 153 VAL HG12 . 34781 1 1580 . 1 . 1 137 137 VAL HG13 H 1 0.283 0.020 . 2 . . . . A 153 VAL HG13 . 34781 1 1581 . 1 . 1 137 137 VAL HG21 H 1 0.720 0.020 . 2 . . . . A 153 VAL HG21 . 34781 1 1582 . 1 . 1 137 137 VAL HG22 H 1 0.720 0.020 . 2 . . . . A 153 VAL HG22 . 34781 1 1583 . 1 . 1 137 137 VAL HG23 H 1 0.720 0.020 . 2 . . . . A 153 VAL HG23 . 34781 1 1584 . 1 . 1 137 137 VAL C C 13 174.233 0.400 . 1 . . . . A 153 VAL C . 34781 1 1585 . 1 . 1 137 137 VAL CA C 13 62.505 0.400 . 1 . . . . A 153 VAL CA . 34781 1 1586 . 1 . 1 137 137 VAL CB C 13 32.893 0.400 . 1 . . . . A 153 VAL CB . 34781 1 1587 . 1 . 1 137 137 VAL CG1 C 13 22.280 0.400 . 2 . . . . A 153 VAL CG1 . 34781 1 1588 . 1 . 1 137 137 VAL CG2 C 13 20.760 0.400 . 2 . . . . A 153 VAL CG2 . 34781 1 1589 . 1 . 1 137 137 VAL N N 15 123.251 0.400 . 1 . . . . A 153 VAL N . 34781 1 1590 . 1 . 1 138 138 MET H H 1 8.762 0.020 . 1 . . . . A 154 MET H . 34781 1 1591 . 1 . 1 138 138 MET HA H 1 5.346 0.020 . 1 . . . . A 154 MET HA . 34781 1 1592 . 1 . 1 138 138 MET HB2 H 1 1.973 0.020 . 2 . . . . A 154 MET HB2 . 34781 1 1593 . 1 . 1 138 138 MET HB3 H 1 1.811 0.020 . 2 . . . . A 154 MET HB3 . 34781 1 1594 . 1 . 1 138 138 MET HG2 H 1 2.358 0.020 . 2 . . . . A 154 MET HG2 . 34781 1 1595 . 1 . 1 138 138 MET HG3 H 1 2.358 0.020 . 2 . . . . A 154 MET HG3 . 34781 1 1596 . 1 . 1 138 138 MET C C 13 173.990 0.400 . 1 . . . . A 154 MET C . 34781 1 1597 . 1 . 1 138 138 MET CA C 13 53.194 0.400 . 1 . . . . A 154 MET CA . 34781 1 1598 . 1 . 1 138 138 MET CB C 13 35.974 0.400 . 1 . . . . A 154 MET CB . 34781 1 1599 . 1 . 1 138 138 MET CG C 13 32.273 0.400 . 1 . . . . A 154 MET CG . 34781 1 1600 . 1 . 1 138 138 MET N N 15 124.726 0.400 . 1 . . . . A 154 MET N . 34781 1 1601 . 1 . 1 139 139 PHE H H 1 8.913 0.020 . 1 . . . . A 155 PHE H . 34781 1 1602 . 1 . 1 139 139 PHE HA H 1 5.062 0.020 . 1 . . . . A 155 PHE HA . 34781 1 1603 . 1 . 1 139 139 PHE HB2 H 1 2.680 0.020 . 2 . . . . A 155 PHE HB2 . 34781 1 1604 . 1 . 1 139 139 PHE HB3 H 1 2.557 0.020 . 2 . . . . A 155 PHE HB3 . 34781 1 1605 . 1 . 1 139 139 PHE HD1 H 1 6.822 0.020 . 1 . . . . A 155 PHE HD1 . 34781 1 1606 . 1 . 1 139 139 PHE HD2 H 1 6.822 0.020 . 1 . . . . A 155 PHE HD2 . 34781 1 1607 . 1 . 1 139 139 PHE HE1 H 1 6.641 0.020 . 1 . . . . A 155 PHE HE1 . 34781 1 1608 . 1 . 1 139 139 PHE HE2 H 1 6.641 0.020 . 1 . . . . A 155 PHE HE2 . 34781 1 1609 . 1 . 1 139 139 PHE HZ H 1 6.722 0.020 . 1 . . . . A 155 PHE HZ . 34781 1 1610 . 1 . 1 139 139 PHE C C 13 174.322 0.400 . 1 . . . . A 155 PHE C . 34781 1 1611 . 1 . 1 139 139 PHE CA C 13 57.055 0.400 . 1 . . . . A 155 PHE CA . 34781 1 1612 . 1 . 1 139 139 PHE CB C 13 43.246 0.400 . 1 . . . . A 155 PHE CB . 34781 1 1613 . 1 . 1 139 139 PHE CD1 C 13 131.351 0.400 . 3 . . . . A 155 PHE CD1 . 34781 1 1614 . 1 . 1 139 139 PHE CE1 C 13 128.286 0.400 . 3 . . . . A 155 PHE CE1 . 34781 1 1615 . 1 . 1 139 139 PHE CZ C 13 130.735 0.400 . 1 . . . . A 155 PHE CZ . 34781 1 1616 . 1 . 1 139 139 PHE N N 15 119.359 0.400 . 1 . . . . A 155 PHE N . 34781 1 1617 . 1 . 1 140 140 LYS H H 1 9.763 0.020 . 1 . . . . A 156 LYS H . 34781 1 1618 . 1 . 1 140 140 LYS HA H 1 4.762 0.020 . 1 . . . . A 156 LYS HA . 34781 1 1619 . 1 . 1 140 140 LYS HB2 H 1 1.844 0.020 . 2 . . . . A 156 LYS HB2 . 34781 1 1620 . 1 . 1 140 140 LYS HB3 H 1 1.517 0.020 . 2 . . . . A 156 LYS HB3 . 34781 1 1621 . 1 . 1 140 140 LYS HG2 H 1 1.478 0.020 . 2 . . . . A 156 LYS HG2 . 34781 1 1622 . 1 . 1 140 140 LYS HG3 H 1 1.333 0.020 . 2 . . . . A 156 LYS HG3 . 34781 1 1623 . 1 . 1 140 140 LYS HD2 H 1 1.615 0.020 . 2 . . . . A 156 LYS HD2 . 34781 1 1624 . 1 . 1 140 140 LYS HD3 H 1 1.461 0.020 . 2 . . . . A 156 LYS HD3 . 34781 1 1625 . 1 . 1 140 140 LYS HE2 H 1 2.854 0.020 . 2 . . . . A 156 LYS HE2 . 34781 1 1626 . 1 . 1 140 140 LYS HE3 H 1 2.854 0.020 . 2 . . . . A 156 LYS HE3 . 34781 1 1627 . 1 . 1 140 140 LYS C C 13 176.305 0.400 . 1 . . . . A 156 LYS C . 34781 1 1628 . 1 . 1 140 140 LYS CA C 13 56.155 0.400 . 1 . . . . A 156 LYS CA . 34781 1 1629 . 1 . 1 140 140 LYS CB C 13 35.601 0.400 . 1 . . . . A 156 LYS CB . 34781 1 1630 . 1 . 1 140 140 LYS CG C 13 24.678 0.400 . 1 . . . . A 156 LYS CG . 34781 1 1631 . 1 . 1 140 140 LYS CD C 13 29.916 0.400 . 1 . . . . A 156 LYS CD . 34781 1 1632 . 1 . 1 140 140 LYS CE C 13 42.047 0.400 . 1 . . . . A 156 LYS CE . 34781 1 1633 . 1 . 1 140 140 LYS N N 15 122.260 0.400 . 1 . . . . A 156 LYS N . 34781 1 1634 . 1 . 1 141 141 GLY H H 1 8.607 0.020 . 1 . . . . A 157 GLY H . 34781 1 1635 . 1 . 1 141 141 GLY HA2 H 1 5.164 0.020 . 2 . . . . A 157 GLY HA2 . 34781 1 1636 . 1 . 1 141 141 GLY HA3 H 1 4.558 0.020 . 2 . . . . A 157 GLY HA3 . 34781 1 1637 . 1 . 1 141 141 GLY CA C 13 45.227 0.400 . 1 . . . . A 157 GLY CA . 34781 1 1638 . 1 . 1 141 141 GLY N N 15 116.253 0.400 . 1 . . . . A 157 GLY N . 34781 1 1639 . 1 . 1 142 142 PRO HA H 1 4.459 0.020 . 1 . . . . A 158 PRO HA . 34781 1 1640 . 1 . 1 142 142 PRO HB2 H 1 2.446 0.020 . 2 . . . . A 158 PRO HB2 . 34781 1 1641 . 1 . 1 142 142 PRO HB3 H 1 1.918 0.020 . 2 . . . . A 158 PRO HB3 . 34781 1 1642 . 1 . 1 142 142 PRO HG2 H 1 2.025 0.020 . 2 . . . . A 158 PRO HG2 . 34781 1 1643 . 1 . 1 142 142 PRO HG3 H 1 1.765 0.020 . 2 . . . . A 158 PRO HG3 . 34781 1 1644 . 1 . 1 142 142 PRO HD2 H 1 4.203 0.020 . 2 . . . . A 158 PRO HD2 . 34781 1 1645 . 1 . 1 142 142 PRO HD3 H 1 3.821 0.020 . 2 . . . . A 158 PRO HD3 . 34781 1 1646 . 1 . 1 142 142 PRO C C 13 178.825 0.400 . 1 . . . . A 158 PRO C . 34781 1 1647 . 1 . 1 142 142 PRO CA C 13 64.719 0.400 . 1 . . . . A 158 PRO CA . 34781 1 1648 . 1 . 1 142 142 PRO CB C 13 32.282 0.400 . 1 . . . . A 158 PRO CB . 34781 1 1649 . 1 . 1 142 142 PRO CG C 13 27.239 0.400 . 1 . . . . A 158 PRO CG . 34781 1 1650 . 1 . 1 142 142 PRO CD C 13 49.756 0.400 . 1 . . . . A 158 PRO CD . 34781 1 1651 . 1 . 1 143 143 VAL H H 1 9.187 0.020 . 1 . . . . A 159 VAL H . 34781 1 1652 . 1 . 1 143 143 VAL HA H 1 4.824 0.020 . 1 . . . . A 159 VAL HA . 34781 1 1653 . 1 . 1 143 143 VAL HB H 1 2.614 0.020 . 1 . . . . A 159 VAL HB . 34781 1 1654 . 1 . 1 143 143 VAL HG11 H 1 1.025 0.020 . 2 . . . . A 159 VAL HG11 . 34781 1 1655 . 1 . 1 143 143 VAL HG12 H 1 1.025 0.020 . 2 . . . . A 159 VAL HG12 . 34781 1 1656 . 1 . 1 143 143 VAL HG13 H 1 1.025 0.020 . 2 . . . . A 159 VAL HG13 . 34781 1 1657 . 1 . 1 143 143 VAL HG21 H 1 0.855 0.020 . 2 . . . . A 159 VAL HG21 . 34781 1 1658 . 1 . 1 143 143 VAL HG22 H 1 0.855 0.020 . 2 . . . . A 159 VAL HG22 . 34781 1 1659 . 1 . 1 143 143 VAL HG23 H 1 0.855 0.020 . 2 . . . . A 159 VAL HG23 . 34781 1 1660 . 1 . 1 143 143 VAL C C 13 174.477 0.400 . 1 . . . . A 159 VAL C . 34781 1 1661 . 1 . 1 143 143 VAL CA C 13 60.447 0.400 . 1 . . . . A 159 VAL CA . 34781 1 1662 . 1 . 1 143 143 VAL CB C 13 35.312 0.400 . 1 . . . . A 159 VAL CB . 34781 1 1663 . 1 . 1 143 143 VAL CG1 C 13 20.740 0.400 . 2 . . . . A 159 VAL CG1 . 34781 1 1664 . 1 . 1 143 143 VAL CG2 C 13 22.401 0.400 . 2 . . . . A 159 VAL CG2 . 34781 1 1665 . 1 . 1 143 143 VAL N N 15 108.505 0.400 . 1 . . . . A 159 VAL N . 34781 1 1666 . 1 . 1 144 144 ASN H H 1 7.684 0.020 . 1 . . . . A 160 ASN H . 34781 1 1667 . 1 . 1 144 144 ASN HA H 1 4.783 0.020 . 1 . . . . A 160 ASN HA . 34781 1 1668 . 1 . 1 144 144 ASN HB2 H 1 3.090 0.020 . 2 . . . . A 160 ASN HB2 . 34781 1 1669 . 1 . 1 144 144 ASN HB3 H 1 3.090 0.020 . 2 . . . . A 160 ASN HB3 . 34781 1 1670 . 1 . 1 144 144 ASN C C 13 170.160 0.400 . 1 . . . . A 160 ASN C . 34781 1 1671 . 1 . 1 144 144 ASN CA C 13 53.054 0.400 . 1 . . . . A 160 ASN CA . 34781 1 1672 . 1 . 1 144 144 ASN CB C 13 38.411 0.400 . 1 . . . . A 160 ASN CB . 34781 1 1673 . 1 . 1 144 144 ASN N N 15 117.586 0.400 . 1 . . . . A 160 ASN N . 34781 1 1674 . 1 . 1 145 145 LYS H H 1 8.133 0.020 . 1 . . . . A 161 LYS H . 34781 1 1675 . 1 . 1 145 145 LYS HA H 1 5.291 0.020 . 1 . . . . A 161 LYS HA . 34781 1 1676 . 1 . 1 145 145 LYS HB2 H 1 1.696 0.020 . 2 . . . . A 161 LYS HB2 . 34781 1 1677 . 1 . 1 145 145 LYS HB3 H 1 1.651 0.020 . 2 . . . . A 161 LYS HB3 . 34781 1 1678 . 1 . 1 145 145 LYS HG2 H 1 1.265 0.020 . 2 . . . . A 161 LYS HG2 . 34781 1 1679 . 1 . 1 145 145 LYS HG3 H 1 1.145 0.020 . 2 . . . . A 161 LYS HG3 . 34781 1 1680 . 1 . 1 145 145 LYS HD2 H 1 1.394 0.020 . 2 . . . . A 161 LYS HD2 . 34781 1 1681 . 1 . 1 145 145 LYS HD3 H 1 1.394 0.020 . 2 . . . . A 161 LYS HD3 . 34781 1 1682 . 1 . 1 145 145 LYS HE2 H 1 2.659 0.020 . 2 . . . . A 161 LYS HE2 . 34781 1 1683 . 1 . 1 145 145 LYS HE3 H 1 2.659 0.020 . 2 . . . . A 161 LYS HE3 . 34781 1 1684 . 1 . 1 145 145 LYS C C 13 172.909 0.400 . 1 . . . . A 161 LYS C . 34781 1 1685 . 1 . 1 145 145 LYS CA C 13 54.475 0.400 . 1 . . . . A 161 LYS CA . 34781 1 1686 . 1 . 1 145 145 LYS CB C 13 36.713 0.400 . 1 . . . . A 161 LYS CB . 34781 1 1687 . 1 . 1 145 145 LYS CG C 13 23.371 0.400 . 1 . . . . A 161 LYS CG . 34781 1 1688 . 1 . 1 145 145 LYS CD C 13 29.872 0.400 . 1 . . . . A 161 LYS CD . 34781 1 1689 . 1 . 1 145 145 LYS CE C 13 42.255 0.400 . 1 . . . . A 161 LYS CE . 34781 1 1690 . 1 . 1 145 145 LYS N N 15 116.274 0.400 . 1 . . . . A 161 LYS N . 34781 1 1691 . 1 . 1 146 146 ALA H H 1 8.929 0.020 . 1 . . . . A 162 ALA H . 34781 1 1692 . 1 . 1 146 146 ALA HA H 1 4.731 0.020 . 1 . . . . A 162 ALA HA . 34781 1 1693 . 1 . 1 146 146 ALA HB1 H 1 1.338 0.020 . 1 . . . . A 162 ALA HB1 . 34781 1 1694 . 1 . 1 146 146 ALA HB2 H 1 1.338 0.020 . 1 . . . . A 162 ALA HB2 . 34781 1 1695 . 1 . 1 146 146 ALA HB3 H 1 1.338 0.020 . 1 . . . . A 162 ALA HB3 . 34781 1 1696 . 1 . 1 146 146 ALA C C 13 174.698 0.400 . 1 . . . . A 162 ALA C . 34781 1 1697 . 1 . 1 146 146 ALA CA C 13 51.101 0.400 . 1 . . . . A 162 ALA CA . 34781 1 1698 . 1 . 1 146 146 ALA CB C 13 26.103 0.400 . 1 . . . . A 162 ALA CB . 34781 1 1699 . 1 . 1 146 146 ALA N N 15 118.930 0.400 . 1 . . . . A 162 ALA N . 34781 1 1700 . 1 . 1 147 147 GLN H H 1 8.431 0.020 . 1 . . . . A 163 GLN H . 34781 1 1701 . 1 . 1 147 147 GLN HA H 1 5.075 0.020 . 1 . . . . A 163 GLN HA . 34781 1 1702 . 1 . 1 147 147 GLN HB2 H 1 1.930 0.020 . 2 . . . . A 163 GLN HB2 . 34781 1 1703 . 1 . 1 147 147 GLN HB3 H 1 1.930 0.020 . 2 . . . . A 163 GLN HB3 . 34781 1 1704 . 1 . 1 147 147 GLN HG2 H 1 2.412 0.020 . 2 . . . . A 163 GLN HG2 . 34781 1 1705 . 1 . 1 147 147 GLN HG3 H 1 2.321 0.020 . 2 . . . . A 163 GLN HG3 . 34781 1 1706 . 1 . 1 147 147 GLN HE21 H 1 7.260 0.020 . 2 . . . . A 163 GLN HE21 . 34781 1 1707 . 1 . 1 147 147 GLN HE22 H 1 7.000 0.020 . 2 . . . . A 163 GLN HE22 . 34781 1 1708 . 1 . 1 147 147 GLN C C 13 175.844 0.400 . 1 . . . . A 163 GLN C . 34781 1 1709 . 1 . 1 147 147 GLN CA C 13 54.277 0.400 . 1 . . . . A 163 GLN CA . 34781 1 1710 . 1 . 1 147 147 GLN CB C 13 31.660 0.400 . 1 . . . . A 163 GLN CB . 34781 1 1711 . 1 . 1 147 147 GLN CG C 13 34.370 0.400 . 1 . . . . A 163 GLN CG . 34781 1 1712 . 1 . 1 147 147 GLN N N 15 121.892 0.400 . 1 . . . . A 163 GLN N . 34781 1 1713 . 1 . 1 147 147 GLN NE2 N 15 111.254 0.400 . 1 . . . . A 163 GLN NE2 . 34781 1 1714 . 1 . 1 148 148 VAL H H 1 8.520 0.020 . 1 . . . . A 164 VAL H . 34781 1 1715 . 1 . 1 148 148 VAL HA H 1 4.561 0.020 . 1 . . . . A 164 VAL HA . 34781 1 1716 . 1 . 1 148 148 VAL HB H 1 2.190 0.020 . 1 . . . . A 164 VAL HB . 34781 1 1717 . 1 . 1 148 148 VAL HG11 H 1 1.052 0.020 . 2 . . . . A 164 VAL HG11 . 34781 1 1718 . 1 . 1 148 148 VAL HG12 H 1 1.052 0.020 . 2 . . . . A 164 VAL HG12 . 34781 1 1719 . 1 . 1 148 148 VAL HG13 H 1 1.052 0.020 . 2 . . . . A 164 VAL HG13 . 34781 1 1720 . 1 . 1 148 148 VAL HG21 H 1 0.925 0.020 . 2 . . . . A 164 VAL HG21 . 34781 1 1721 . 1 . 1 148 148 VAL HG22 H 1 0.925 0.020 . 2 . . . . A 164 VAL HG22 . 34781 1 1722 . 1 . 1 148 148 VAL HG23 H 1 0.925 0.020 . 2 . . . . A 164 VAL HG23 . 34781 1 1723 . 1 . 1 148 148 VAL C C 13 176.981 0.400 . 1 . . . . A 164 VAL C . 34781 1 1724 . 1 . 1 148 148 VAL CA C 13 63.048 0.400 . 1 . . . . A 164 VAL CA . 34781 1 1725 . 1 . 1 148 148 VAL CB C 13 32.419 0.400 . 1 . . . . A 164 VAL CB . 34781 1 1726 . 1 . 1 148 148 VAL CG1 C 13 21.992 0.400 . 2 . . . . A 164 VAL CG1 . 34781 1 1727 . 1 . 1 148 148 VAL CG2 C 13 23.495 0.400 . 2 . . . . A 164 VAL CG2 . 34781 1 1728 . 1 . 1 148 148 VAL N N 15 123.939 0.400 . 1 . . . . A 164 VAL N . 34781 1 1729 . 1 . 1 149 149 THR H H 1 9.620 0.020 . 1 . . . . A 165 THR H . 34781 1 1730 . 1 . 1 149 149 THR HA H 1 4.570 0.020 . 1 . . . . A 165 THR HA . 34781 1 1731 . 1 . 1 149 149 THR HB H 1 4.254 0.020 . 1 . . . . A 165 THR HB . 34781 1 1732 . 1 . 1 149 149 THR HG1 H 1 4.634 0.020 . 1 . . . . A 165 THR HG1 . 34781 1 1733 . 1 . 1 149 149 THR HG21 H 1 1.242 0.020 . 1 . . . . A 165 THR HG21 . 34781 1 1734 . 1 . 1 149 149 THR HG22 H 1 1.242 0.020 . 1 . . . . A 165 THR HG22 . 34781 1 1735 . 1 . 1 149 149 THR HG23 H 1 1.242 0.020 . 1 . . . . A 165 THR HG23 . 34781 1 1736 . 1 . 1 149 149 THR C C 13 176.064 0.400 . 1 . . . . A 165 THR C . 34781 1 1737 . 1 . 1 149 149 THR CA C 13 62.621 0.400 . 1 . . . . A 165 THR CA . 34781 1 1738 . 1 . 1 149 149 THR CB C 13 68.675 0.400 . 1 . . . . A 165 THR CB . 34781 1 1739 . 1 . 1 149 149 THR CG2 C 13 23.300 0.400 . 1 . . . . A 165 THR CG2 . 34781 1 1740 . 1 . 1 149 149 THR N N 15 122.786 0.400 . 1 . . . . A 165 THR N . 34781 1 1741 . 1 . 1 150 150 VAL H H 1 7.296 0.020 . 1 . . . . A 166 VAL H . 34781 1 1742 . 1 . 1 150 150 VAL HA H 1 4.270 0.020 . 1 . . . . A 166 VAL HA . 34781 1 1743 . 1 . 1 150 150 VAL HB H 1 2.078 0.020 . 1 . . . . A 166 VAL HB . 34781 1 1744 . 1 . 1 150 150 VAL HG11 H 1 0.996 0.020 . 2 . . . . A 166 VAL HG11 . 34781 1 1745 . 1 . 1 150 150 VAL HG12 H 1 0.996 0.020 . 2 . . . . A 166 VAL HG12 . 34781 1 1746 . 1 . 1 150 150 VAL HG13 H 1 0.996 0.020 . 2 . . . . A 166 VAL HG13 . 34781 1 1747 . 1 . 1 150 150 VAL HG21 H 1 0.973 0.020 . 2 . . . . A 166 VAL HG21 . 34781 1 1748 . 1 . 1 150 150 VAL HG22 H 1 0.973 0.020 . 2 . . . . A 166 VAL HG22 . 34781 1 1749 . 1 . 1 150 150 VAL HG23 H 1 0.973 0.020 . 2 . . . . A 166 VAL HG23 . 34781 1 1750 . 1 . 1 150 150 VAL C C 13 173.273 0.400 . 1 . . . . A 166 VAL C . 34781 1 1751 . 1 . 1 150 150 VAL CA C 13 63.527 0.400 . 1 . . . . A 166 VAL CA . 34781 1 1752 . 1 . 1 150 150 VAL CB C 13 34.236 0.400 . 1 . . . . A 166 VAL CB . 34781 1 1753 . 1 . 1 150 150 VAL CG1 C 13 21.995 0.400 . 2 . . . . A 166 VAL CG1 . 34781 1 1754 . 1 . 1 150 150 VAL CG2 C 13 20.287 0.400 . 2 . . . . A 166 VAL CG2 . 34781 1 1755 . 1 . 1 150 150 VAL N N 15 122.761 0.400 . 1 . . . . A 166 VAL N . 34781 1 1756 . 1 . 1 151 151 ALA H H 1 8.490 0.020 . 1 . . . . A 167 ALA H . 34781 1 1757 . 1 . 1 151 151 ALA HA H 1 5.220 0.020 . 1 . . . . A 167 ALA HA . 34781 1 1758 . 1 . 1 151 151 ALA HB1 H 1 1.426 0.020 . 1 . . . . A 167 ALA HB1 . 34781 1 1759 . 1 . 1 151 151 ALA HB2 H 1 1.426 0.020 . 1 . . . . A 167 ALA HB2 . 34781 1 1760 . 1 . 1 151 151 ALA HB3 H 1 1.426 0.020 . 1 . . . . A 167 ALA HB3 . 34781 1 1761 . 1 . 1 151 151 ALA C C 13 178.087 0.400 . 1 . . . . A 167 ALA C . 34781 1 1762 . 1 . 1 151 151 ALA CA C 13 50.817 0.400 . 1 . . . . A 167 ALA CA . 34781 1 1763 . 1 . 1 151 151 ALA CB C 13 21.618 0.400 . 1 . . . . A 167 ALA CB . 34781 1 1764 . 1 . 1 151 151 ALA N N 15 128.464 0.400 . 1 . . . . A 167 ALA N . 34781 1 1765 . 1 . 1 152 152 ASP H H 1 10.118 0.020 . 1 . . . . A 168 ASP H . 34781 1 1766 . 1 . 1 152 152 ASP HA H 1 3.924 0.020 . 1 . . . . A 168 ASP HA . 34781 1 1767 . 1 . 1 152 152 ASP HB2 H 1 3.126 0.020 . 2 . . . . A 168 ASP HB2 . 34781 1 1768 . 1 . 1 152 152 ASP HB3 H 1 3.021 0.020 . 2 . . . . A 168 ASP HB3 . 34781 1 1769 . 1 . 1 152 152 ASP C C 13 174.906 0.400 . 1 . . . . A 168 ASP C . 34781 1 1770 . 1 . 1 152 152 ASP CA C 13 55.419 0.400 . 1 . . . . A 168 ASP CA . 34781 1 1771 . 1 . 1 152 152 ASP CB C 13 38.058 0.400 . 1 . . . . A 168 ASP CB . 34781 1 1772 . 1 . 1 152 152 ASP N N 15 115.465 0.400 . 1 . . . . A 168 ASP N . 34781 1 1773 . 1 . 1 153 153 ILE H H 1 8.586 0.020 . 1 . . . . A 169 ILE H . 34781 1 1774 . 1 . 1 153 153 ILE HA H 1 4.037 0.020 . 1 . . . . A 169 ILE HA . 34781 1 1775 . 1 . 1 153 153 ILE HB H 1 2.159 0.020 . 1 . . . . A 169 ILE HB . 34781 1 1776 . 1 . 1 153 153 ILE HG12 H 1 1.585 0.020 . 2 . . . . A 169 ILE HG12 . 34781 1 1777 . 1 . 1 153 153 ILE HG13 H 1 0.720 0.020 . 2 . . . . A 169 ILE HG13 . 34781 1 1778 . 1 . 1 153 153 ILE HG21 H 1 0.849 0.020 . 1 . . . . A 169 ILE HG21 . 34781 1 1779 . 1 . 1 153 153 ILE HG22 H 1 0.849 0.020 . 1 . . . . A 169 ILE HG22 . 34781 1 1780 . 1 . 1 153 153 ILE HG23 H 1 0.849 0.020 . 1 . . . . A 169 ILE HG23 . 34781 1 1781 . 1 . 1 153 153 ILE HD11 H 1 0.674 0.020 . 1 . . . . A 169 ILE HD11 . 34781 1 1782 . 1 . 1 153 153 ILE HD12 H 1 0.674 0.020 . 1 . . . . A 169 ILE HD12 . 34781 1 1783 . 1 . 1 153 153 ILE HD13 H 1 0.674 0.020 . 1 . . . . A 169 ILE HD13 . 34781 1 1784 . 1 . 1 153 153 ILE C C 13 174.683 0.400 . 1 . . . . A 169 ILE C . 34781 1 1785 . 1 . 1 153 153 ILE CA C 13 61.882 0.400 . 1 . . . . A 169 ILE CA . 34781 1 1786 . 1 . 1 153 153 ILE CB C 13 37.158 0.400 . 1 . . . . A 169 ILE CB . 34781 1 1787 . 1 . 1 153 153 ILE CG1 C 13 27.342 0.400 . 1 . . . . A 169 ILE CG1 . 34781 1 1788 . 1 . 1 153 153 ILE CG2 C 13 17.050 0.400 . 1 . . . . A 169 ILE CG2 . 34781 1 1789 . 1 . 1 153 153 ILE CD1 C 13 15.030 0.400 . 1 . . . . A 169 ILE CD1 . 34781 1 1790 . 1 . 1 153 153 ILE N N 15 119.877 0.400 . 1 . . . . A 169 ILE N . 34781 1 1791 . 1 . 1 154 154 LYS H H 1 8.231 0.020 . 1 . . . . A 170 LYS H . 34781 1 1792 . 1 . 1 154 154 LYS HA H 1 4.259 0.020 . 1 . . . . A 170 LYS HA . 34781 1 1793 . 1 . 1 154 154 LYS HB2 H 1 2.083 0.020 . 2 . . . . A 170 LYS HB2 . 34781 1 1794 . 1 . 1 154 154 LYS HB3 H 1 2.003 0.020 . 2 . . . . A 170 LYS HB3 . 34781 1 1795 . 1 . 1 154 154 LYS HG2 H 1 1.742 0.020 . 2 . . . . A 170 LYS HG2 . 34781 1 1796 . 1 . 1 154 154 LYS HG3 H 1 1.576 0.020 . 2 . . . . A 170 LYS HG3 . 34781 1 1797 . 1 . 1 154 154 LYS HD2 H 1 1.826 0.020 . 2 . . . . A 170 LYS HD2 . 34781 1 1798 . 1 . 1 154 154 LYS HD3 H 1 1.798 0.020 . 2 . . . . A 170 LYS HD3 . 34781 1 1799 . 1 . 1 154 154 LYS HE2 H 1 3.054 0.020 . 2 . . . . A 170 LYS HE2 . 34781 1 1800 . 1 . 1 154 154 LYS HE3 H 1 3.054 0.020 . 2 . . . . A 170 LYS HE3 . 34781 1 1801 . 1 . 1 154 154 LYS C C 13 174.867 0.400 . 1 . . . . A 170 LYS C . 34781 1 1802 . 1 . 1 154 154 LYS CA C 13 58.020 0.400 . 1 . . . . A 170 LYS CA . 34781 1 1803 . 1 . 1 154 154 LYS CB C 13 33.653 0.400 . 1 . . . . A 170 LYS CB . 34781 1 1804 . 1 . 1 154 154 LYS CG C 13 25.321 0.400 . 1 . . . . A 170 LYS CG . 34781 1 1805 . 1 . 1 154 154 LYS CD C 13 29.662 0.400 . 1 . . . . A 170 LYS CD . 34781 1 1806 . 1 . 1 154 154 LYS CE C 13 42.584 0.400 . 1 . . . . A 170 LYS CE . 34781 1 1807 . 1 . 1 154 154 LYS N N 15 131.263 0.400 . 1 . . . . A 170 LYS N . 34781 1 1808 . 1 . 1 155 155 ALA H H 1 8.037 0.020 . 1 . . . . A 171 ALA H . 34781 1 1809 . 1 . 1 155 155 ALA HA H 1 4.919 0.020 . 1 . . . . A 171 ALA HA . 34781 1 1810 . 1 . 1 155 155 ALA HB1 H 1 0.964 0.020 . 1 . . . . A 171 ALA HB1 . 34781 1 1811 . 1 . 1 155 155 ALA HB2 H 1 0.964 0.020 . 1 . . . . A 171 ALA HB2 . 34781 1 1812 . 1 . 1 155 155 ALA HB3 H 1 0.964 0.020 . 1 . . . . A 171 ALA HB3 . 34781 1 1813 . 1 . 1 155 155 ALA C C 13 175.973 0.400 . 1 . . . . A 171 ALA C . 34781 1 1814 . 1 . 1 155 155 ALA CA C 13 49.730 0.400 . 1 . . . . A 171 ALA CA . 34781 1 1815 . 1 . 1 155 155 ALA CB C 13 20.731 0.400 . 1 . . . . A 171 ALA CB . 34781 1 1816 . 1 . 1 155 155 ALA N N 15 129.270 0.400 . 1 . . . . A 171 ALA N . 34781 1 1817 . 1 . 1 156 156 GLY H H 1 7.716 0.020 . 1 . . . . A 172 GLY H . 34781 1 1818 . 1 . 1 156 156 GLY HA2 H 1 4.035 0.020 . 2 . . . . A 172 GLY HA2 . 34781 1 1819 . 1 . 1 156 156 GLY HA3 H 1 3.734 0.020 . 2 . . . . A 172 GLY HA3 . 34781 1 1820 . 1 . 1 156 156 GLY C C 13 174.780 0.400 . 1 . . . . A 172 GLY C . 34781 1 1821 . 1 . 1 156 156 GLY CA C 13 48.195 0.400 . 1 . . . . A 172 GLY CA . 34781 1 1822 . 1 . 1 156 156 GLY N N 15 109.917 0.400 . 1 . . . . A 172 GLY N . 34781 1 1823 . 1 . 1 157 157 GLY H H 1 9.063 0.020 . 1 . . . . A 173 GLY H . 34781 1 1824 . 1 . 1 157 157 GLY HA2 H 1 3.691 0.020 . 2 . . . . A 173 GLY HA2 . 34781 1 1825 . 1 . 1 157 157 GLY HA3 H 1 4.401 0.020 . 2 . . . . A 173 GLY HA3 . 34781 1 1826 . 1 . 1 157 157 GLY C C 13 174.635 0.400 . 1 . . . . A 173 GLY C . 34781 1 1827 . 1 . 1 157 157 GLY CA C 13 45.828 0.400 . 1 . . . . A 173 GLY CA . 34781 1 1828 . 1 . 1 157 157 GLY N N 15 116.558 0.400 . 1 . . . . A 173 GLY N . 34781 1 1829 . 1 . 1 158 158 SER H H 1 8.199 0.020 . 1 . . . . A 174 SER H . 34781 1 1830 . 1 . 1 158 158 SER HA H 1 5.404 0.020 . 1 . . . . A 174 SER HA . 34781 1 1831 . 1 . 1 158 158 SER HB2 H 1 4.056 0.020 . 2 . . . . A 174 SER HB2 . 34781 1 1832 . 1 . 1 158 158 SER HB3 H 1 3.908 0.020 . 2 . . . . A 174 SER HB3 . 34781 1 1833 . 1 . 1 158 158 SER C C 13 171.624 0.400 . 1 . . . . A 174 SER C . 34781 1 1834 . 1 . 1 158 158 SER CA C 13 59.053 0.400 . 1 . . . . A 174 SER CA . 34781 1 1835 . 1 . 1 158 158 SER CB C 13 67.010 0.400 . 1 . . . . A 174 SER CB . 34781 1 1836 . 1 . 1 158 158 SER N N 15 114.224 0.400 . 1 . . . . A 174 SER N . 34781 1 1837 . 1 . 1 159 159 VAL H H 1 8.821 0.020 . 1 . . . . A 175 VAL H . 34781 1 1838 . 1 . 1 159 159 VAL HA H 1 4.921 0.020 . 1 . . . . A 175 VAL HA . 34781 1 1839 . 1 . 1 159 159 VAL HB H 1 1.381 0.020 . 1 . . . . A 175 VAL HB . 34781 1 1840 . 1 . 1 159 159 VAL HG11 H 1 0.414 0.020 . 2 . . . . A 175 VAL HG11 . 34781 1 1841 . 1 . 1 159 159 VAL HG12 H 1 0.414 0.020 . 2 . . . . A 175 VAL HG12 . 34781 1 1842 . 1 . 1 159 159 VAL HG13 H 1 0.414 0.020 . 2 . . . . A 175 VAL HG13 . 34781 1 1843 . 1 . 1 159 159 VAL HG21 H 1 0.069 0.020 . 2 . . . . A 175 VAL HG21 . 34781 1 1844 . 1 . 1 159 159 VAL HG22 H 1 0.069 0.020 . 2 . . . . A 175 VAL HG22 . 34781 1 1845 . 1 . 1 159 159 VAL HG23 H 1 0.069 0.020 . 2 . . . . A 175 VAL HG23 . 34781 1 1846 . 1 . 1 159 159 VAL C C 13 170.562 0.400 . 1 . . . . A 175 VAL C . 34781 1 1847 . 1 . 1 159 159 VAL CA C 13 59.659 0.400 . 1 . . . . A 175 VAL CA . 34781 1 1848 . 1 . 1 159 159 VAL CB C 13 35.450 0.400 . 1 . . . . A 175 VAL CB . 34781 1 1849 . 1 . 1 159 159 VAL CG1 C 13 21.081 0.400 . 2 . . . . A 175 VAL CG1 . 34781 1 1850 . 1 . 1 159 159 VAL CG2 C 13 22.436 0.400 . 2 . . . . A 175 VAL CG2 . 34781 1 1851 . 1 . 1 159 159 VAL N N 15 122.463 0.400 . 1 . . . . A 175 VAL N . 34781 1 1852 . 1 . 1 160 160 ILE H H 1 8.778 0.020 . 1 . . . . A 176 ILE H . 34781 1 1853 . 1 . 1 160 160 ILE HA H 1 4.995 0.020 . 1 . . . . A 176 ILE HA . 34781 1 1854 . 1 . 1 160 160 ILE HB H 1 1.522 0.020 . 1 . . . . A 176 ILE HB . 34781 1 1855 . 1 . 1 160 160 ILE HG12 H 1 1.147 0.020 . 2 . . . . A 176 ILE HG12 . 34781 1 1856 . 1 . 1 160 160 ILE HG13 H 1 0.792 0.020 . 2 . . . . A 176 ILE HG13 . 34781 1 1857 . 1 . 1 160 160 ILE HG21 H 1 0.706 0.020 . 1 . . . . A 176 ILE HG21 . 34781 1 1858 . 1 . 1 160 160 ILE HG22 H 1 0.706 0.020 . 1 . . . . A 176 ILE HG22 . 34781 1 1859 . 1 . 1 160 160 ILE HG23 H 1 0.706 0.020 . 1 . . . . A 176 ILE HG23 . 34781 1 1860 . 1 . 1 160 160 ILE HD11 H 1 0.476 0.020 . 1 . . . . A 176 ILE HD11 . 34781 1 1861 . 1 . 1 160 160 ILE HD12 H 1 0.476 0.020 . 1 . . . . A 176 ILE HD12 . 34781 1 1862 . 1 . 1 160 160 ILE HD13 H 1 0.476 0.020 . 1 . . . . A 176 ILE HD13 . 34781 1 1863 . 1 . 1 160 160 ILE C C 13 173.617 0.400 . 1 . . . . A 176 ILE C . 34781 1 1864 . 1 . 1 160 160 ILE CA C 13 58.893 0.400 . 1 . . . . A 176 ILE CA . 34781 1 1865 . 1 . 1 160 160 ILE CB C 13 41.313 0.400 . 1 . . . . A 176 ILE CB . 34781 1 1866 . 1 . 1 160 160 ILE CG1 C 13 28.756 0.400 . 1 . . . . A 176 ILE CG1 . 34781 1 1867 . 1 . 1 160 160 ILE CG2 C 13 18.464 0.400 . 1 . . . . A 176 ILE CG2 . 34781 1 1868 . 1 . 1 160 160 ILE CD1 C 13 15.291 0.400 . 1 . . . . A 176 ILE CD1 . 34781 1 1869 . 1 . 1 160 160 ILE N N 15 128.199 0.400 . 1 . . . . A 176 ILE N . 34781 1 1870 . 1 . 1 161 161 HIS H H 1 8.742 0.020 . 1 . . . . A 177 HIS H . 34781 1 1871 . 1 . 1 161 161 HIS HA H 1 5.694 0.020 . 1 . . . . A 177 HIS HA . 34781 1 1872 . 1 . 1 161 161 HIS HB2 H 1 3.027 0.020 . 2 . . . . A 177 HIS HB2 . 34781 1 1873 . 1 . 1 161 161 HIS HB3 H 1 2.885 0.020 . 2 . . . . A 177 HIS HB3 . 34781 1 1874 . 1 . 1 161 161 HIS HD2 H 1 6.425 0.020 . 1 . . . . A 177 HIS HD2 . 34781 1 1875 . 1 . 1 161 161 HIS HE1 H 1 8.615 0.020 . 1 . . . . A 177 HIS HE1 . 34781 1 1876 . 1 . 1 161 161 HIS HE2 H 1 11.013 0.020 . 1 . . . . A 177 HIS HE2 . 34781 1 1877 . 1 . 1 161 161 HIS C C 13 175.798 0.400 . 1 . . . . A 177 HIS C . 34781 1 1878 . 1 . 1 161 161 HIS CA C 13 53.570 0.400 . 1 . . . . A 177 HIS CA . 34781 1 1879 . 1 . 1 161 161 HIS CB C 13 33.612 0.400 . 1 . . . . A 177 HIS CB . 34781 1 1880 . 1 . 1 161 161 HIS CD2 C 13 116.748 0.400 . 1 . . . . A 177 HIS CD2 . 34781 1 1881 . 1 . 1 161 161 HIS CE1 C 13 141.206 0.400 . 1 . . . . A 177 HIS CE1 . 34781 1 1882 . 1 . 1 161 161 HIS N N 15 123.047 0.400 . 1 . . . . A 177 HIS N . 34781 1 1883 . 1 . 1 161 161 HIS NE2 N 15 158.739 0.400 . 1 . . . . A 177 HIS NE2 . 34781 1 1884 . 1 . 1 162 162 VAL H H 1 9.451 0.020 . 1 . . . . A 178 VAL H . 34781 1 1885 . 1 . 1 162 162 VAL HA H 1 4.981 0.020 . 1 . . . . A 178 VAL HA . 34781 1 1886 . 1 . 1 162 162 VAL HB H 1 2.088 0.020 . 1 . . . . A 178 VAL HB . 34781 1 1887 . 1 . 1 162 162 VAL HG11 H 1 1.207 0.020 . 2 . . . . A 178 VAL HG11 . 34781 1 1888 . 1 . 1 162 162 VAL HG12 H 1 1.207 0.020 . 2 . . . . A 178 VAL HG12 . 34781 1 1889 . 1 . 1 162 162 VAL HG13 H 1 1.207 0.020 . 2 . . . . A 178 VAL HG13 . 34781 1 1890 . 1 . 1 162 162 VAL HG21 H 1 1.078 0.020 . 2 . . . . A 178 VAL HG21 . 34781 1 1891 . 1 . 1 162 162 VAL HG22 H 1 1.078 0.020 . 2 . . . . A 178 VAL HG22 . 34781 1 1892 . 1 . 1 162 162 VAL HG23 H 1 1.078 0.020 . 2 . . . . A 178 VAL HG23 . 34781 1 1893 . 1 . 1 162 162 VAL C C 13 177.122 0.400 . 1 . . . . A 178 VAL C . 34781 1 1894 . 1 . 1 162 162 VAL CA C 13 62.555 0.400 . 1 . . . . A 178 VAL CA . 34781 1 1895 . 1 . 1 162 162 VAL CB C 13 32.483 0.400 . 1 . . . . A 178 VAL CB . 34781 1 1896 . 1 . 1 162 162 VAL CG1 C 13 22.277 0.400 . 2 . . . . A 178 VAL CG1 . 34781 1 1897 . 1 . 1 162 162 VAL CG2 C 13 22.340 0.400 . 2 . . . . A 178 VAL CG2 . 34781 1 1898 . 1 . 1 162 162 VAL N N 15 126.961 0.400 . 1 . . . . A 178 VAL N . 34781 1 1899 . 1 . 1 163 163 ILE H H 1 8.317 0.020 . 1 . . . . A 179 ILE H . 34781 1 1900 . 1 . 1 163 163 ILE HA H 1 5.808 0.020 . 1 . . . . A 179 ILE HA . 34781 1 1901 . 1 . 1 163 163 ILE HB H 1 1.897 0.020 . 1 . . . . A 179 ILE HB . 34781 1 1902 . 1 . 1 163 163 ILE HG12 H 1 1.703 0.020 . 2 . . . . A 179 ILE HG12 . 34781 1 1903 . 1 . 1 163 163 ILE HG13 H 1 0.812 0.020 . 2 . . . . A 179 ILE HG13 . 34781 1 1904 . 1 . 1 163 163 ILE HG21 H 1 0.925 0.020 . 1 . . . . A 179 ILE HG21 . 34781 1 1905 . 1 . 1 163 163 ILE HG22 H 1 0.925 0.020 . 1 . . . . A 179 ILE HG22 . 34781 1 1906 . 1 . 1 163 163 ILE HG23 H 1 0.925 0.020 . 1 . . . . A 179 ILE HG23 . 34781 1 1907 . 1 . 1 163 163 ILE HD11 H 1 1.044 0.020 . 1 . . . . A 179 ILE HD11 . 34781 1 1908 . 1 . 1 163 163 ILE HD12 H 1 1.044 0.020 . 1 . . . . A 179 ILE HD12 . 34781 1 1909 . 1 . 1 163 163 ILE HD13 H 1 1.044 0.020 . 1 . . . . A 179 ILE HD13 . 34781 1 1910 . 1 . 1 163 163 ILE C C 13 176.160 0.400 . 1 . . . . A 179 ILE C . 34781 1 1911 . 1 . 1 163 163 ILE CA C 13 59.764 0.400 . 1 . . . . A 179 ILE CA . 34781 1 1912 . 1 . 1 163 163 ILE CB C 13 43.344 0.400 . 1 . . . . A 179 ILE CB . 34781 1 1913 . 1 . 1 163 163 ILE CG1 C 13 24.616 0.400 . 1 . . . . A 179 ILE CG1 . 34781 1 1914 . 1 . 1 163 163 ILE CG2 C 13 17.483 0.400 . 1 . . . . A 179 ILE CG2 . 34781 1 1915 . 1 . 1 163 163 ILE CD1 C 13 15.128 0.400 . 1 . . . . A 179 ILE CD1 . 34781 1 1916 . 1 . 1 163 163 ILE N N 15 119.163 0.400 . 1 . . . . A 179 ILE N . 34781 1 1917 . 1 . 1 164 164 ASN H H 1 8.137 0.020 . 1 . . . . A 180 ASN H . 34781 1 1918 . 1 . 1 164 164 ASN HA H 1 4.868 0.020 . 1 . . . . A 180 ASN HA . 34781 1 1919 . 1 . 1 164 164 ASN HB2 H 1 3.522 0.020 . 2 . . . . A 180 ASN HB2 . 34781 1 1920 . 1 . 1 164 164 ASN HB3 H 1 2.742 0.020 . 2 . . . . A 180 ASN HB3 . 34781 1 1921 . 1 . 1 164 164 ASN C C 13 175.330 0.400 . 1 . . . . A 180 ASN C . 34781 1 1922 . 1 . 1 164 164 ASN CA C 13 52.078 0.400 . 1 . . . . A 180 ASN CA . 34781 1 1923 . 1 . 1 164 164 ASN CB C 13 39.517 0.400 . 1 . . . . A 180 ASN CB . 34781 1 1924 . 1 . 1 164 164 ASN N N 15 116.461 0.400 . 1 . . . . A 180 ASN N . 34781 1 1925 . 1 . 1 165 165 ASP H H 1 7.806 0.020 . 1 . . . . A 181 ASP H . 34781 1 1926 . 1 . 1 165 165 ASP HA H 1 4.409 0.020 . 1 . . . . A 181 ASP HA . 34781 1 1927 . 1 . 1 165 165 ASP HB2 H 1 2.642 0.020 . 2 . . . . A 181 ASP HB2 . 34781 1 1928 . 1 . 1 165 165 ASP HB3 H 1 2.642 0.020 . 2 . . . . A 181 ASP HB3 . 34781 1 1929 . 1 . 1 165 165 ASP C C 13 172.313 0.400 . 1 . . . . A 181 ASP C . 34781 1 1930 . 1 . 1 165 165 ASP CA C 13 52.193 0.400 . 1 . . . . A 181 ASP CA . 34781 1 1931 . 1 . 1 165 165 ASP CB C 13 43.545 0.400 . 1 . . . . A 181 ASP CB . 34781 1 1932 . 1 . 1 165 165 ASP N N 15 118.929 0.400 . 1 . . . . A 181 ASP N . 34781 1 1933 . 1 . 1 166 166 VAL H H 1 9.374 0.020 . 1 . . . . A 182 VAL H . 34781 1 1934 . 1 . 1 166 166 VAL HA H 1 4.060 0.020 . 1 . . . . A 182 VAL HA . 34781 1 1935 . 1 . 1 166 166 VAL HB H 1 1.443 0.020 . 1 . . . . A 182 VAL HB . 34781 1 1936 . 1 . 1 166 166 VAL HG11 H 1 0.544 0.020 . 2 . . . . A 182 VAL HG11 . 34781 1 1937 . 1 . 1 166 166 VAL HG12 H 1 0.544 0.020 . 2 . . . . A 182 VAL HG12 . 34781 1 1938 . 1 . 1 166 166 VAL HG13 H 1 0.544 0.020 . 2 . . . . A 182 VAL HG13 . 34781 1 1939 . 1 . 1 166 166 VAL HG21 H 1 -0.140 0.020 . 2 . . . . A 182 VAL HG21 . 34781 1 1940 . 1 . 1 166 166 VAL HG22 H 1 -0.140 0.020 . 2 . . . . A 182 VAL HG22 . 34781 1 1941 . 1 . 1 166 166 VAL HG23 H 1 -0.140 0.020 . 2 . . . . A 182 VAL HG23 . 34781 1 1942 . 1 . 1 166 166 VAL C C 13 176.574 0.400 . 1 . . . . A 182 VAL C . 34781 1 1943 . 1 . 1 166 166 VAL CA C 13 60.753 0.400 . 1 . . . . A 182 VAL CA . 34781 1 1944 . 1 . 1 166 166 VAL CB C 13 33.679 0.400 . 1 . . . . A 182 VAL CB . 34781 1 1945 . 1 . 1 166 166 VAL CG1 C 13 20.859 0.400 . 2 . . . . A 182 VAL CG1 . 34781 1 1946 . 1 . 1 166 166 VAL CG2 C 13 20.621 0.400 . 2 . . . . A 182 VAL CG2 . 34781 1 1947 . 1 . 1 166 166 VAL N N 15 120.641 0.400 . 1 . . . . A 182 VAL N . 34781 1 1948 . 1 . 1 167 167 LEU H H 1 10.339 0.020 . 1 . . . . A 183 LEU H . 34781 1 1949 . 1 . 1 167 167 LEU HA H 1 4.115 0.020 . 1 . . . . A 183 LEU HA . 34781 1 1950 . 1 . 1 167 167 LEU HB2 H 1 1.367 0.020 . 2 . . . . A 183 LEU HB2 . 34781 1 1951 . 1 . 1 167 167 LEU HB3 H 1 1.005 0.020 . 2 . . . . A 183 LEU HB3 . 34781 1 1952 . 1 . 1 167 167 LEU HG H 1 1.325 0.020 . 1 . . . . A 183 LEU HG . 34781 1 1953 . 1 . 1 167 167 LEU HD11 H 1 0.617 0.020 . 2 . . . . A 183 LEU HD11 . 34781 1 1954 . 1 . 1 167 167 LEU HD12 H 1 0.617 0.020 . 2 . . . . A 183 LEU HD12 . 34781 1 1955 . 1 . 1 167 167 LEU HD13 H 1 0.617 0.020 . 2 . . . . A 183 LEU HD13 . 34781 1 1956 . 1 . 1 167 167 LEU HD21 H 1 0.309 0.020 . 2 . . . . A 183 LEU HD21 . 34781 1 1957 . 1 . 1 167 167 LEU HD22 H 1 0.309 0.020 . 2 . . . . A 183 LEU HD22 . 34781 1 1958 . 1 . 1 167 167 LEU HD23 H 1 0.309 0.020 . 2 . . . . A 183 LEU HD23 . 34781 1 1959 . 1 . 1 167 167 LEU C C 13 175.891 0.400 . 1 . . . . A 183 LEU C . 34781 1 1960 . 1 . 1 167 167 LEU CA C 13 55.357 0.400 . 1 . . . . A 183 LEU CA . 34781 1 1961 . 1 . 1 167 167 LEU CB C 13 42.315 0.400 . 1 . . . . A 183 LEU CB . 34781 1 1962 . 1 . 1 167 167 LEU CG C 13 26.378 0.400 . 1 . . . . A 183 LEU CG . 34781 1 1963 . 1 . 1 167 167 LEU CD1 C 13 23.232 0.400 . 2 . . . . A 183 LEU CD1 . 34781 1 1964 . 1 . 1 167 167 LEU CD2 C 13 26.069 0.400 . 2 . . . . A 183 LEU CD2 . 34781 1 1965 . 1 . 1 167 167 LEU N N 15 130.463 0.400 . 1 . . . . A 183 LEU N . 34781 1 1966 . 1 . 1 168 168 LEU H H 1 7.634 0.020 . 1 . . . . A 184 LEU H . 34781 1 1967 . 1 . 1 168 168 LEU HA H 1 5.015 0.020 . 1 . . . . A 184 LEU HA . 34781 1 1968 . 1 . 1 168 168 LEU HB2 H 1 1.778 0.020 . 2 . . . . A 184 LEU HB2 . 34781 1 1969 . 1 . 1 168 168 LEU HB3 H 1 1.174 0.020 . 2 . . . . A 184 LEU HB3 . 34781 1 1970 . 1 . 1 168 168 LEU HG H 1 1.873 0.020 . 1 . . . . A 184 LEU HG . 34781 1 1971 . 1 . 1 168 168 LEU HD11 H 1 1.026 0.020 . 2 . . . . A 184 LEU HD11 . 34781 1 1972 . 1 . 1 168 168 LEU HD12 H 1 1.026 0.020 . 2 . . . . A 184 LEU HD12 . 34781 1 1973 . 1 . 1 168 168 LEU HD13 H 1 1.026 0.020 . 2 . . . . A 184 LEU HD13 . 34781 1 1974 . 1 . 1 168 168 LEU HD21 H 1 0.816 0.020 . 2 . . . . A 184 LEU HD21 . 34781 1 1975 . 1 . 1 168 168 LEU HD22 H 1 0.816 0.020 . 2 . . . . A 184 LEU HD22 . 34781 1 1976 . 1 . 1 168 168 LEU HD23 H 1 0.816 0.020 . 2 . . . . A 184 LEU HD23 . 34781 1 1977 . 1 . 1 168 168 LEU CA C 13 50.146 0.400 . 1 . . . . A 184 LEU CA . 34781 1 1978 . 1 . 1 168 168 LEU CB C 13 41.390 0.400 . 1 . . . . A 184 LEU CB . 34781 1 1979 . 1 . 1 168 168 LEU CG C 13 26.855 0.400 . 1 . . . . A 184 LEU CG . 34781 1 1980 . 1 . 1 168 168 LEU CD1 C 13 26.963 0.400 . 2 . . . . A 184 LEU CD1 . 34781 1 1981 . 1 . 1 168 168 LEU CD2 C 13 23.104 0.400 . 2 . . . . A 184 LEU CD2 . 34781 1 1982 . 1 . 1 168 168 LEU N N 15 120.817 0.400 . 1 . . . . A 184 LEU N . 34781 1 1983 . 1 . 1 169 169 PRO HA H 1 3.490 0.020 . 1 . . . . A 185 PRO HA . 34781 1 1984 . 1 . 1 169 169 PRO HB2 H 1 1.275 0.020 . 2 . . . . A 185 PRO HB2 . 34781 1 1985 . 1 . 1 169 169 PRO HB3 H 1 1.522 0.020 . 2 . . . . A 185 PRO HB3 . 34781 1 1986 . 1 . 1 169 169 PRO HG2 H 1 1.690 0.020 . 2 . . . . A 185 PRO HG2 . 34781 1 1987 . 1 . 1 169 169 PRO HG3 H 1 1.583 0.020 . 2 . . . . A 185 PRO HG3 . 34781 1 1988 . 1 . 1 169 169 PRO HD2 H 1 3.452 0.020 . 2 . . . . A 185 PRO HD2 . 34781 1 1989 . 1 . 1 169 169 PRO HD3 H 1 3.972 0.020 . 2 . . . . A 185 PRO HD3 . 34781 1 1990 . 1 . 1 169 169 PRO CA C 13 60.665 0.400 . 1 . . . . A 185 PRO CA . 34781 1 1991 . 1 . 1 169 169 PRO CB C 13 30.399 0.400 . 1 . . . . A 185 PRO CB . 34781 1 1992 . 1 . 1 169 169 PRO CG C 13 26.020 0.400 . 1 . . . . A 185 PRO CG . 34781 1 1993 . 1 . 1 169 169 PRO CD C 13 50.375 0.400 . 1 . . . . A 185 PRO CD . 34781 1 1994 . 1 . 1 170 170 PRO HA H 1 4.181 0.020 . 1 . . . . A 186 PRO HA . 34781 1 1995 . 1 . 1 170 170 PRO HB2 H 1 2.344 0.020 . 2 . . . . A 186 PRO HB2 . 34781 1 1996 . 1 . 1 170 170 PRO HB3 H 1 1.875 0.020 . 2 . . . . A 186 PRO HB3 . 34781 1 1997 . 1 . 1 170 170 PRO HG2 H 1 2.114 0.020 . 2 . . . . A 186 PRO HG2 . 34781 1 1998 . 1 . 1 170 170 PRO HG3 H 1 2.000 0.020 . 2 . . . . A 186 PRO HG3 . 34781 1 1999 . 1 . 1 170 170 PRO HD2 H 1 3.111 0.020 . 2 . . . . A 186 PRO HD2 . 34781 1 2000 . 1 . 1 170 170 PRO HD3 H 1 3.111 0.020 . 2 . . . . A 186 PRO HD3 . 34781 1 2001 . 1 . 1 170 170 PRO C C 13 176.920 0.400 . 1 . . . . A 186 PRO C . 34781 1 2002 . 1 . 1 170 170 PRO CA C 13 63.503 0.400 . 1 . . . . A 186 PRO CA . 34781 1 2003 . 1 . 1 170 170 PRO CB C 13 31.772 0.400 . 1 . . . . A 186 PRO CB . 34781 1 2004 . 1 . 1 170 170 PRO CG C 13 27.767 0.400 . 1 . . . . A 186 PRO CG . 34781 1 2005 . 1 . 1 170 170 PRO CD C 13 50.248 0.400 . 1 . . . . A 186 PRO CD . 34781 1 2006 . 1 . 1 171 171 GLY H H 1 8.508 0.020 . 1 . . . . A 187 GLY H . 34781 1 2007 . 1 . 1 171 171 GLY HA2 H 1 4.093 0.020 . 2 . . . . A 187 GLY HA2 . 34781 1 2008 . 1 . 1 171 171 GLY HA3 H 1 3.716 0.020 . 2 . . . . A 187 GLY HA3 . 34781 1 2009 . 1 . 1 171 171 GLY C C 13 174.731 0.400 . 1 . . . . A 187 GLY C . 34781 1 2010 . 1 . 1 171 171 GLY CA C 13 45.896 0.400 . 1 . . . . A 187 GLY CA . 34781 1 2011 . 1 . 1 171 171 GLY N N 15 109.348 0.400 . 1 . . . . A 187 GLY N . 34781 1 2012 . 1 . 1 172 172 VAL H H 1 7.729 0.020 . 1 . . . . A 188 VAL H . 34781 1 2013 . 1 . 1 172 172 VAL HA H 1 4.033 0.020 . 1 . . . . A 188 VAL HA . 34781 1 2014 . 1 . 1 172 172 VAL HB H 1 1.946 0.020 . 1 . . . . A 188 VAL HB . 34781 1 2015 . 1 . 1 172 172 VAL HG11 H 1 0.903 0.020 . 2 . . . . A 188 VAL HG11 . 34781 1 2016 . 1 . 1 172 172 VAL HG12 H 1 0.903 0.020 . 2 . . . . A 188 VAL HG12 . 34781 1 2017 . 1 . 1 172 172 VAL HG13 H 1 0.903 0.020 . 2 . . . . A 188 VAL HG13 . 34781 1 2018 . 1 . 1 172 172 VAL HG21 H 1 0.801 0.020 . 2 . . . . A 188 VAL HG21 . 34781 1 2019 . 1 . 1 172 172 VAL HG22 H 1 0.801 0.020 . 2 . . . . A 188 VAL HG22 . 34781 1 2020 . 1 . 1 172 172 VAL HG23 H 1 0.801 0.020 . 2 . . . . A 188 VAL HG23 . 34781 1 2021 . 1 . 1 172 172 VAL C C 13 175.542 0.400 . 1 . . . . A 188 VAL C . 34781 1 2022 . 1 . 1 172 172 VAL CA C 13 64.379 0.400 . 1 . . . . A 188 VAL CA . 34781 1 2023 . 1 . 1 172 172 VAL CB C 13 32.904 0.400 . 1 . . . . A 188 VAL CB . 34781 1 2024 . 1 . 1 172 172 VAL CG1 C 13 21.502 0.400 . 2 . . . . A 188 VAL CG1 . 34781 1 2025 . 1 . 1 172 172 VAL CG2 C 13 22.330 0.400 . 2 . . . . A 188 VAL CG2 . 34781 1 2026 . 1 . 1 172 172 VAL N N 15 118.779 0.400 . 1 . . . . A 188 VAL N . 34781 1 2027 . 1 . 1 173 173 VAL H H 1 8.206 0.020 . 1 . . . . A 189 VAL H . 34781 1 2028 . 1 . 1 173 173 VAL HA H 1 4.252 0.020 . 1 . . . . A 189 VAL HA . 34781 1 2029 . 1 . 1 173 173 VAL HB H 1 1.870 0.020 . 1 . . . . A 189 VAL HB . 34781 1 2030 . 1 . 1 173 173 VAL HG11 H 1 0.793 0.020 . 2 . . . . A 189 VAL HG11 . 34781 1 2031 . 1 . 1 173 173 VAL HG12 H 1 0.793 0.020 . 2 . . . . A 189 VAL HG12 . 34781 1 2032 . 1 . 1 173 173 VAL HG13 H 1 0.793 0.020 . 2 . . . . A 189 VAL HG13 . 34781 1 2033 . 1 . 1 173 173 VAL HG21 H 1 0.659 0.020 . 2 . . . . A 189 VAL HG21 . 34781 1 2034 . 1 . 1 173 173 VAL HG22 H 1 0.659 0.020 . 2 . . . . A 189 VAL HG22 . 34781 1 2035 . 1 . 1 173 173 VAL HG23 H 1 0.659 0.020 . 2 . . . . A 189 VAL HG23 . 34781 1 2036 . 1 . 1 173 173 VAL C C 13 175.614 0.400 . 1 . . . . A 189 VAL C . 34781 1 2037 . 1 . 1 173 173 VAL CA C 13 60.627 0.400 . 1 . . . . A 189 VAL CA . 34781 1 2038 . 1 . 1 173 173 VAL CB C 13 33.483 0.400 . 1 . . . . A 189 VAL CB . 34781 1 2039 . 1 . 1 173 173 VAL CG1 C 13 21.670 0.400 . 2 . . . . A 189 VAL CG1 . 34781 1 2040 . 1 . 1 173 173 VAL CG2 C 13 21.715 0.400 . 2 . . . . A 189 VAL CG2 . 34781 1 2041 . 1 . 1 173 173 VAL N N 15 117.204 0.400 . 1 . . . . A 189 VAL N . 34781 1 2042 . 1 . 1 174 174 SER H H 1 8.359 0.020 . 1 . . . . A 190 SER H . 34781 1 2043 . 1 . 1 174 174 SER HA H 1 4.325 0.020 . 1 . . . . A 190 SER HA . 34781 1 2044 . 1 . 1 174 174 SER HB2 H 1 4.233 0.020 . 2 . . . . A 190 SER HB2 . 34781 1 2045 . 1 . 1 174 174 SER HB3 H 1 3.974 0.020 . 2 . . . . A 190 SER HB3 . 34781 1 2046 . 1 . 1 174 174 SER C C 13 174.374 0.400 . 1 . . . . A 190 SER C . 34781 1 2047 . 1 . 1 174 174 SER CA C 13 57.862 0.400 . 1 . . . . A 190 SER CA . 34781 1 2048 . 1 . 1 174 174 SER CB C 13 64.698 0.400 . 1 . . . . A 190 SER CB . 34781 1 2049 . 1 . 1 174 174 SER N N 15 121.115 0.400 . 1 . . . . A 190 SER N . 34781 1 2050 . 1 . 1 175 175 ASP H H 1 8.699 0.020 . 1 . . . . A 191 ASP H . 34781 1 2051 . 1 . 1 175 175 ASP HA H 1 4.305 0.020 . 1 . . . . A 191 ASP HA . 34781 1 2052 . 1 . 1 175 175 ASP HB2 H 1 2.630 0.020 . 2 . . . . A 191 ASP HB2 . 34781 1 2053 . 1 . 1 175 175 ASP HB3 H 1 2.630 0.020 . 2 . . . . A 191 ASP HB3 . 34781 1 2054 . 1 . 1 175 175 ASP C C 13 178.110 0.400 . 1 . . . . A 191 ASP C . 34781 1 2055 . 1 . 1 175 175 ASP CA C 13 57.458 0.400 . 1 . . . . A 191 ASP CA . 34781 1 2056 . 1 . 1 175 175 ASP CB C 13 40.870 0.400 . 1 . . . . A 191 ASP CB . 34781 1 2057 . 1 . 1 175 175 ASP N N 15 122.167 0.400 . 1 . . . . A 191 ASP N . 34781 1 2058 . 1 . 1 176 176 ALA H H 1 8.124 0.020 . 1 . . . . A 192 ALA H . 34781 1 2059 . 1 . 1 176 176 ALA HA H 1 4.023 0.020 . 1 . . . . A 192 ALA HA . 34781 1 2060 . 1 . 1 176 176 ALA HB1 H 1 1.394 0.020 . 1 . . . . A 192 ALA HB1 . 34781 1 2061 . 1 . 1 176 176 ALA HB2 H 1 1.394 0.020 . 1 . . . . A 192 ALA HB2 . 34781 1 2062 . 1 . 1 176 176 ALA HB3 H 1 1.394 0.020 . 1 . . . . A 192 ALA HB3 . 34781 1 2063 . 1 . 1 176 176 ALA C C 13 180.600 0.400 . 1 . . . . A 192 ALA C . 34781 1 2064 . 1 . 1 176 176 ALA CA C 13 55.169 0.400 . 1 . . . . A 192 ALA CA . 34781 1 2065 . 1 . 1 176 176 ALA CB C 13 18.558 0.400 . 1 . . . . A 192 ALA CB . 34781 1 2066 . 1 . 1 176 176 ALA N N 15 120.065 0.400 . 1 . . . . A 192 ALA N . 34781 1 2067 . 1 . 1 177 177 VAL H H 1 7.233 0.020 . 1 . . . . A 193 VAL H . 34781 1 2068 . 1 . 1 177 177 VAL HA H 1 3.469 0.020 . 1 . . . . A 193 VAL HA . 34781 1 2069 . 1 . 1 177 177 VAL HB H 1 1.691 0.020 . 1 . . . . A 193 VAL HB . 34781 1 2070 . 1 . 1 177 177 VAL HG11 H 1 0.109 0.020 . 2 . . . . A 193 VAL HG11 . 34781 1 2071 . 1 . 1 177 177 VAL HG12 H 1 0.109 0.020 . 2 . . . . A 193 VAL HG12 . 34781 1 2072 . 1 . 1 177 177 VAL HG13 H 1 0.109 0.020 . 2 . . . . A 193 VAL HG13 . 34781 1 2073 . 1 . 1 177 177 VAL HG21 H 1 0.872 0.020 . 2 . . . . A 193 VAL HG21 . 34781 1 2074 . 1 . 1 177 177 VAL HG22 H 1 0.872 0.020 . 2 . . . . A 193 VAL HG22 . 34781 1 2075 . 1 . 1 177 177 VAL HG23 H 1 0.872 0.020 . 2 . . . . A 193 VAL HG23 . 34781 1 2076 . 1 . 1 177 177 VAL C C 13 176.727 0.400 . 1 . . . . A 193 VAL C . 34781 1 2077 . 1 . 1 177 177 VAL CA C 13 65.590 0.400 . 1 . . . . A 193 VAL CA . 34781 1 2078 . 1 . 1 177 177 VAL CB C 13 31.372 0.400 . 1 . . . . A 193 VAL CB . 34781 1 2079 . 1 . 1 177 177 VAL CG1 C 13 20.734 0.400 . 2 . . . . A 193 VAL CG1 . 34781 1 2080 . 1 . 1 177 177 VAL CG2 C 13 22.853 0.400 . 2 . . . . A 193 VAL CG2 . 34781 1 2081 . 1 . 1 177 177 VAL N N 15 119.828 0.400 . 1 . . . . A 193 VAL N . 34781 1 2082 . 1 . 1 178 178 ALA H H 1 7.930 0.020 . 1 . . . . A 194 ALA H . 34781 1 2083 . 1 . 1 178 178 ALA HA H 1 3.449 0.020 . 1 . . . . A 194 ALA HA . 34781 1 2084 . 1 . 1 178 178 ALA HB1 H 1 1.343 0.020 . 1 . . . . A 194 ALA HB1 . 34781 1 2085 . 1 . 1 178 178 ALA HB2 H 1 1.343 0.020 . 1 . . . . A 194 ALA HB2 . 34781 1 2086 . 1 . 1 178 178 ALA HB3 H 1 1.343 0.020 . 1 . . . . A 194 ALA HB3 . 34781 1 2087 . 1 . 1 178 178 ALA C C 13 180.731 0.400 . 1 . . . . A 194 ALA C . 34781 1 2088 . 1 . 1 178 178 ALA CA C 13 55.266 0.400 . 1 . . . . A 194 ALA CA . 34781 1 2089 . 1 . 1 178 178 ALA CB C 13 18.478 0.400 . 1 . . . . A 194 ALA CB . 34781 1 2090 . 1 . 1 178 178 ALA N N 15 121.567 0.400 . 1 . . . . A 194 ALA N . 34781 1 2091 . 1 . 1 179 179 LYS H H 1 8.033 0.020 . 1 . . . . A 195 LYS H . 34781 1 2092 . 1 . 1 179 179 LYS HA H 1 3.994 0.020 . 1 . . . . A 195 LYS HA . 34781 1 2093 . 1 . 1 179 179 LYS HB2 H 1 1.873 0.020 . 2 . . . . A 195 LYS HB2 . 34781 1 2094 . 1 . 1 179 179 LYS HB3 H 1 1.873 0.020 . 2 . . . . A 195 LYS HB3 . 34781 1 2095 . 1 . 1 179 179 LYS HG2 H 1 1.582 0.020 . 2 . . . . A 195 LYS HG2 . 34781 1 2096 . 1 . 1 179 179 LYS HG3 H 1 1.443 0.020 . 2 . . . . A 195 LYS HG3 . 34781 1 2097 . 1 . 1 179 179 LYS HD2 H 1 1.661 0.020 . 2 . . . . A 195 LYS HD2 . 34781 1 2098 . 1 . 1 179 179 LYS HD3 H 1 1.661 0.020 . 2 . . . . A 195 LYS HD3 . 34781 1 2099 . 1 . 1 179 179 LYS HE2 H 1 2.986 0.020 . 2 . . . . A 195 LYS HE2 . 34781 1 2100 . 1 . 1 179 179 LYS HE3 H 1 2.986 0.020 . 2 . . . . A 195 LYS HE3 . 34781 1 2101 . 1 . 1 179 179 LYS C C 13 179.246 0.400 . 1 . . . . A 195 LYS C . 34781 1 2102 . 1 . 1 179 179 LYS CA C 13 59.519 0.400 . 1 . . . . A 195 LYS CA . 34781 1 2103 . 1 . 1 179 179 LYS CB C 13 32.651 0.400 . 1 . . . . A 195 LYS CB . 34781 1 2104 . 1 . 1 179 179 LYS CG C 13 25.721 0.400 . 1 . . . . A 195 LYS CG . 34781 1 2105 . 1 . 1 179 179 LYS CD C 13 29.535 0.400 . 1 . . . . A 195 LYS CD . 34781 1 2106 . 1 . 1 179 179 LYS CE C 13 42.353 0.400 . 1 . . . . A 195 LYS CE . 34781 1 2107 . 1 . 1 179 179 LYS N N 15 116.904 0.400 . 1 . . . . A 195 LYS N . 34781 1 2108 . 1 . 1 180 180 GLN H H 1 7.570 0.020 . 1 . . . . A 196 GLN H . 34781 1 2109 . 1 . 1 180 180 GLN HA H 1 4.219 0.020 . 1 . . . . A 196 GLN HA . 34781 1 2110 . 1 . 1 180 180 GLN HB2 H 1 2.312 0.020 . 2 . . . . A 196 GLN HB2 . 34781 1 2111 . 1 . 1 180 180 GLN HB3 H 1 2.312 0.020 . 2 . . . . A 196 GLN HB3 . 34781 1 2112 . 1 . 1 180 180 GLN HG2 H 1 2.591 0.020 . 2 . . . . A 196 GLN HG2 . 34781 1 2113 . 1 . 1 180 180 GLN HG3 H 1 2.467 0.020 . 2 . . . . A 196 GLN HG3 . 34781 1 2114 . 1 . 1 180 180 GLN C C 13 178.859 0.400 . 1 . . . . A 196 GLN C . 34781 1 2115 . 1 . 1 180 180 GLN CA C 13 58.571 0.400 . 1 . . . . A 196 GLN CA . 34781 1 2116 . 1 . 1 180 180 GLN CB C 13 28.238 0.400 . 1 . . . . A 196 GLN CB . 34781 1 2117 . 1 . 1 180 180 GLN CG C 13 33.860 0.400 . 1 . . . . A 196 GLN CG . 34781 1 2118 . 1 . 1 180 180 GLN N N 15 120.676 0.400 . 1 . . . . A 196 GLN N . 34781 1 2119 . 1 . 1 181 181 TRP H H 1 8.446 0.020 . 1 . . . . A 197 TRP H . 34781 1 2120 . 1 . 1 181 181 TRP HA H 1 4.794 0.020 . 1 . . . . A 197 TRP HA . 34781 1 2121 . 1 . 1 181 181 TRP HB2 H 1 3.422 0.020 . 2 . . . . A 197 TRP HB2 . 34781 1 2122 . 1 . 1 181 181 TRP HB3 H 1 3.422 0.020 . 2 . . . . A 197 TRP HB3 . 34781 1 2123 . 1 . 1 181 181 TRP HD1 H 1 7.160 0.020 . 1 . . . . A 197 TRP HD1 . 34781 1 2124 . 1 . 1 181 181 TRP HE1 H 1 10.177 0.020 . 1 . . . . A 197 TRP HE1 . 34781 1 2125 . 1 . 1 181 181 TRP HE3 H 1 7.834 0.020 . 1 . . . . A 197 TRP HE3 . 34781 1 2126 . 1 . 1 181 181 TRP HZ2 H 1 7.189 0.020 . 1 . . . . A 197 TRP HZ2 . 34781 1 2127 . 1 . 1 181 181 TRP HZ3 H 1 6.899 0.020 . 1 . . . . A 197 TRP HZ3 . 34781 1 2128 . 1 . 1 181 181 TRP HH2 H 1 6.896 0.020 . 1 . . . . A 197 TRP HH2 . 34781 1 2129 . 1 . 1 181 181 TRP C C 13 179.066 0.400 . 1 . . . . A 197 TRP C . 34781 1 2130 . 1 . 1 181 181 TRP CA C 13 57.677 0.400 . 1 . . . . A 197 TRP CA . 34781 1 2131 . 1 . 1 181 181 TRP CB C 13 28.839 0.400 . 1 . . . . A 197 TRP CB . 34781 1 2132 . 1 . 1 181 181 TRP CD1 C 13 125.293 0.400 . 1 . . . . A 197 TRP CD1 . 34781 1 2133 . 1 . 1 181 181 TRP CE3 C 13 121.818 0.400 . 1 . . . . A 197 TRP CE3 . 34781 1 2134 . 1 . 1 181 181 TRP CZ2 C 13 114.495 0.400 . 1 . . . . A 197 TRP CZ2 . 34781 1 2135 . 1 . 1 181 181 TRP CZ3 C 13 120.332 0.400 . 1 . . . . A 197 TRP CZ3 . 34781 1 2136 . 1 . 1 181 181 TRP CH2 C 13 122.563 0.400 . 1 . . . . A 197 TRP CH2 . 34781 1 2137 . 1 . 1 181 181 TRP N N 15 120.641 0.400 . 1 . . . . A 197 TRP N . 34781 1 2138 . 1 . 1 181 181 TRP NE1 N 15 128.674 0.400 . 1 . . . . A 197 TRP NE1 . 34781 1 2139 . 1 . 1 182 182 LYS H H 1 8.002 0.020 . 1 . . . . A 198 LYS H . 34781 1 2140 . 1 . 1 182 182 LYS HA H 1 4.026 0.020 . 1 . . . . A 198 LYS HA . 34781 1 2141 . 1 . 1 182 182 LYS HB2 H 1 1.935 0.020 . 2 . . . . A 198 LYS HB2 . 34781 1 2142 . 1 . 1 182 182 LYS HB3 H 1 1.935 0.020 . 2 . . . . A 198 LYS HB3 . 34781 1 2143 . 1 . 1 182 182 LYS HG2 H 1 1.450 0.020 . 2 . . . . A 198 LYS HG2 . 34781 1 2144 . 1 . 1 182 182 LYS HG3 H 1 1.597 0.020 . 2 . . . . A 198 LYS HG3 . 34781 1 2145 . 1 . 1 182 182 LYS HD2 H 1 1.728 0.020 . 2 . . . . A 198 LYS HD2 . 34781 1 2146 . 1 . 1 182 182 LYS HD3 H 1 1.728 0.020 . 2 . . . . A 198 LYS HD3 . 34781 1 2147 . 1 . 1 182 182 LYS HE2 H 1 3.031 0.020 . 2 . . . . A 198 LYS HE2 . 34781 1 2148 . 1 . 1 182 182 LYS HE3 H 1 3.031 0.020 . 2 . . . . A 198 LYS HE3 . 34781 1 2149 . 1 . 1 182 182 LYS C C 13 178.050 0.400 . 1 . . . . A 198 LYS C . 34781 1 2150 . 1 . 1 182 182 LYS CA C 13 59.107 0.400 . 1 . . . . A 198 LYS CA . 34781 1 2151 . 1 . 1 182 182 LYS CB C 13 32.841 0.400 . 1 . . . . A 198 LYS CB . 34781 1 2152 . 1 . 1 182 182 LYS CG C 13 25.306 0.400 . 1 . . . . A 198 LYS CG . 34781 1 2153 . 1 . 1 182 182 LYS CD C 13 29.705 0.400 . 1 . . . . A 198 LYS CD . 34781 1 2154 . 1 . 1 182 182 LYS CE C 13 39.351 0.400 . 1 . . . . A 198 LYS CE . 34781 1 2155 . 1 . 1 182 182 LYS N N 15 120.393 0.400 . 1 . . . . A 198 LYS N . 34781 1 2156 . 1 . 1 183 183 ALA H H 1 7.938 0.020 . 1 . . . . A 199 ALA H . 34781 1 2157 . 1 . 1 183 183 ALA HA H 1 4.266 0.020 . 1 . . . . A 199 ALA HA . 34781 1 2158 . 1 . 1 183 183 ALA HB1 H 1 1.542 0.020 . 1 . . . . A 199 ALA HB1 . 34781 1 2159 . 1 . 1 183 183 ALA HB2 H 1 1.542 0.020 . 1 . . . . A 199 ALA HB2 . 34781 1 2160 . 1 . 1 183 183 ALA HB3 H 1 1.542 0.020 . 1 . . . . A 199 ALA HB3 . 34781 1 2161 . 1 . 1 183 183 ALA C C 13 180.391 0.400 . 1 . . . . A 199 ALA C . 34781 1 2162 . 1 . 1 183 183 ALA CA C 13 54.459 0.400 . 1 . . . . A 199 ALA CA . 34781 1 2163 . 1 . 1 183 183 ALA CB C 13 18.432 0.400 . 1 . . . . A 199 ALA CB . 34781 1 2164 . 1 . 1 183 183 ALA N N 15 121.877 0.400 . 1 . . . . A 199 ALA N . 34781 1 2165 . 1 . 1 184 184 GLU H H 1 8.099 0.020 . 1 . . . . A 200 GLU H . 34781 1 2166 . 1 . 1 184 184 GLU HA H 1 4.168 0.020 . 1 . . . . A 200 GLU HA . 34781 1 2167 . 1 . 1 184 184 GLU HB2 H 1 2.073 0.020 . 2 . . . . A 200 GLU HB2 . 34781 1 2168 . 1 . 1 184 184 GLU HB3 H 1 2.192 0.020 . 2 . . . . A 200 GLU HB3 . 34781 1 2169 . 1 . 1 184 184 GLU HG2 H 1 2.528 0.020 . 2 . . . . A 200 GLU HG2 . 34781 1 2170 . 1 . 1 184 184 GLU HG3 H 1 2.282 0.020 . 2 . . . . A 200 GLU HG3 . 34781 1 2171 . 1 . 1 184 184 GLU C C 13 178.459 0.400 . 1 . . . . A 200 GLU C . 34781 1 2172 . 1 . 1 184 184 GLU CA C 13 58.642 0.400 . 1 . . . . A 200 GLU CA . 34781 1 2173 . 1 . 1 184 184 GLU CB C 13 29.983 0.400 . 1 . . . . A 200 GLU CB . 34781 1 2174 . 1 . 1 184 184 GLU CG C 13 36.720 0.400 . 1 . . . . A 200 GLU CG . 34781 1 2175 . 1 . 1 184 184 GLU N N 15 118.622 0.400 . 1 . . . . A 200 GLU N . 34781 1 2176 . 1 . 1 185 185 TRP H H 1 7.920 0.020 . 1 . . . . A 201 TRP H . 34781 1 2177 . 1 . 1 185 185 TRP HA H 1 4.618 0.020 . 1 . . . . A 201 TRP HA . 34781 1 2178 . 1 . 1 185 185 TRP HB2 H 1 3.439 0.020 . 2 . . . . A 201 TRP HB2 . 34781 1 2179 . 1 . 1 185 185 TRP HB3 H 1 3.439 0.020 . 2 . . . . A 201 TRP HB3 . 34781 1 2180 . 1 . 1 185 185 TRP HD1 H 1 7.290 0.020 . 1 . . . . A 201 TRP HD1 . 34781 1 2181 . 1 . 1 185 185 TRP HE1 H 1 10.121 0.020 . 1 . . . . A 201 TRP HE1 . 34781 1 2182 . 1 . 1 185 185 TRP HE3 H 1 7.674 0.020 . 1 . . . . A 201 TRP HE3 . 34781 1 2183 . 1 . 1 185 185 TRP HZ2 H 1 7.443 0.020 . 1 . . . . A 201 TRP HZ2 . 34781 1 2184 . 1 . 1 185 185 TRP HZ3 H 1 7.154 0.020 . 1 . . . . A 201 TRP HZ3 . 34781 1 2185 . 1 . 1 185 185 TRP HH2 H 1 7.212 0.020 . 1 . . . . A 201 TRP HH2 . 34781 1 2186 . 1 . 1 185 185 TRP C C 13 178.110 0.400 . 1 . . . . A 201 TRP C . 34781 1 2187 . 1 . 1 185 185 TRP CA C 13 58.947 0.400 . 1 . . . . A 201 TRP CA . 34781 1 2188 . 1 . 1 185 185 TRP CB C 13 29.166 0.400 . 1 . . . . A 201 TRP CB . 34781 1 2189 . 1 . 1 185 185 TRP CD1 C 13 127.210 0.400 . 1 . . . . A 201 TRP CD1 . 34781 1 2190 . 1 . 1 185 185 TRP CE3 C 13 121.285 0.400 . 1 . . . . A 201 TRP CE3 . 34781 1 2191 . 1 . 1 185 185 TRP CZ2 C 13 114.681 0.400 . 1 . . . . A 201 TRP CZ2 . 34781 1 2192 . 1 . 1 185 185 TRP CZ3 C 13 122.095 0.400 . 1 . . . . A 201 TRP CZ3 . 34781 1 2193 . 1 . 1 185 185 TRP CH2 C 13 124.620 0.400 . 1 . . . . A 201 TRP CH2 . 34781 1 2194 . 1 . 1 185 185 TRP N N 15 120.017 0.400 . 1 . . . . A 201 TRP N . 34781 1 2195 . 1 . 1 185 185 TRP NE1 N 15 129.394 0.400 . 1 . . . . A 201 TRP NE1 . 34781 1 2196 . 1 . 1 186 186 GLU H H 1 8.174 0.020 . 1 . . . . A 202 GLU H . 34781 1 2197 . 1 . 1 186 186 GLU HA H 1 4.041 0.020 . 1 . . . . A 202 GLU HA . 34781 1 2198 . 1 . 1 186 186 GLU HB2 H 1 2.062 0.020 . 2 . . . . A 202 GLU HB2 . 34781 1 2199 . 1 . 1 186 186 GLU HB3 H 1 2.062 0.020 . 2 . . . . A 202 GLU HB3 . 34781 1 2200 . 1 . 1 186 186 GLU HG2 H 1 2.391 0.020 . 2 . . . . A 202 GLU HG2 . 34781 1 2201 . 1 . 1 186 186 GLU HG3 H 1 2.322 0.020 . 2 . . . . A 202 GLU HG3 . 34781 1 2202 . 1 . 1 186 186 GLU C C 13 177.956 0.400 . 1 . . . . A 202 GLU C . 34781 1 2203 . 1 . 1 186 186 GLU CA C 13 58.140 0.400 . 1 . . . . A 202 GLU CA . 34781 1 2204 . 1 . 1 186 186 GLU CB C 13 29.614 0.400 . 1 . . . . A 202 GLU CB . 34781 1 2205 . 1 . 1 186 186 GLU CG C 13 36.584 0.400 . 1 . . . . A 202 GLU CG . 34781 1 2206 . 1 . 1 186 186 GLU N N 15 119.727 0.400 . 1 . . . . A 202 GLU N . 34781 1 2207 . 1 . 1 187 187 ALA H H 1 7.890 0.020 . 1 . . . . A 203 ALA H . 34781 1 2208 . 1 . 1 187 187 ALA HA H 1 4.246 0.020 . 1 . . . . A 203 ALA HA . 34781 1 2209 . 1 . 1 187 187 ALA HB1 H 1 1.477 0.020 . 1 . . . . A 203 ALA HB1 . 34781 1 2210 . 1 . 1 187 187 ALA HB2 H 1 1.477 0.020 . 1 . . . . A 203 ALA HB2 . 34781 1 2211 . 1 . 1 187 187 ALA HB3 H 1 1.477 0.020 . 1 . . . . A 203 ALA HB3 . 34781 1 2212 . 1 . 1 187 187 ALA C C 13 178.887 0.400 . 1 . . . . A 203 ALA C . 34781 1 2213 . 1 . 1 187 187 ALA CA C 13 53.684 0.400 . 1 . . . . A 203 ALA CA . 34781 1 2214 . 1 . 1 187 187 ALA CB C 13 18.828 0.400 . 1 . . . . A 203 ALA CB . 34781 1 2215 . 1 . 1 187 187 ALA N N 15 122.283 0.400 . 1 . . . . A 203 ALA N . 34781 1 2216 . 1 . 1 188 188 MET H H 1 7.882 0.020 . 1 . . . . A 204 MET H . 34781 1 2217 . 1 . 1 188 188 MET HA H 1 4.339 0.020 . 1 . . . . A 204 MET HA . 34781 1 2218 . 1 . 1 188 188 MET HB2 H 1 2.074 0.020 . 2 . . . . A 204 MET HB2 . 34781 1 2219 . 1 . 1 188 188 MET HB3 H 1 2.074 0.020 . 2 . . . . A 204 MET HB3 . 34781 1 2220 . 1 . 1 188 188 MET HG2 H 1 2.668 0.020 . 2 . . . . A 204 MET HG2 . 34781 1 2221 . 1 . 1 188 188 MET HG3 H 1 2.565 0.020 . 2 . . . . A 204 MET HG3 . 34781 1 2222 . 1 . 1 188 188 MET C C 13 177.112 0.400 . 1 . . . . A 204 MET C . 34781 1 2223 . 1 . 1 188 188 MET CA C 13 56.665 0.400 . 1 . . . . A 204 MET CA . 34781 1 2224 . 1 . 1 188 188 MET CB C 13 32.905 0.400 . 1 . . . . A 204 MET CB . 34781 1 2225 . 1 . 1 188 188 MET CG C 13 32.215 0.400 . 1 . . . . A 204 MET CG . 34781 1 2226 . 1 . 1 188 188 MET N N 15 117.898 0.400 . 1 . . . . A 204 MET N . 34781 1 2227 . 1 . 1 189 189 LYS H H 1 7.862 0.020 . 1 . . . . A 205 LYS H . 34781 1 2228 . 1 . 1 189 189 LYS HA H 1 4.173 0.020 . 1 . . . . A 205 LYS HA . 34781 1 2229 . 1 . 1 189 189 LYS HB2 H 1 1.769 0.020 . 2 . . . . A 205 LYS HB2 . 34781 1 2230 . 1 . 1 189 189 LYS HB3 H 1 1.720 0.020 . 2 . . . . A 205 LYS HB3 . 34781 1 2231 . 1 . 1 189 189 LYS HG2 H 1 1.346 0.020 . 2 . . . . A 205 LYS HG2 . 34781 1 2232 . 1 . 1 189 189 LYS HG3 H 1 1.346 0.020 . 2 . . . . A 205 LYS HG3 . 34781 1 2233 . 1 . 1 189 189 LYS HD2 H 1 1.621 0.020 . 2 . . . . A 205 LYS HD2 . 34781 1 2234 . 1 . 1 189 189 LYS HD3 H 1 1.621 0.020 . 2 . . . . A 205 LYS HD3 . 34781 1 2235 . 1 . 1 189 189 LYS HE2 H 1 2.925 0.020 . 2 . . . . A 205 LYS HE2 . 34781 1 2236 . 1 . 1 189 189 LYS HE3 H 1 2.925 0.020 . 2 . . . . A 205 LYS HE3 . 34781 1 2237 . 1 . 1 189 189 LYS C C 13 176.763 0.400 . 1 . . . . A 205 LYS C . 34781 1 2238 . 1 . 1 189 189 LYS CA C 13 56.987 0.400 . 1 . . . . A 205 LYS CA . 34781 1 2239 . 1 . 1 189 189 LYS CB C 13 32.785 0.400 . 1 . . . . A 205 LYS CB . 34781 1 2240 . 1 . 1 189 189 LYS CG C 13 24.722 0.400 . 1 . . . . A 205 LYS CG . 34781 1 2241 . 1 . 1 189 189 LYS CD C 13 29.186 0.400 . 1 . . . . A 205 LYS CD . 34781 1 2242 . 1 . 1 189 189 LYS CE C 13 42.275 0.400 . 1 . . . . A 205 LYS CE . 34781 1 2243 . 1 . 1 189 189 LYS N N 15 120.750 0.400 . 1 . . . . A 205 LYS N . 34781 1 2244 . 1 . 1 190 190 ALA H H 1 7.940 0.020 . 1 . . . . A 206 ALA H . 34781 1 2245 . 1 . 1 190 190 ALA HA H 1 4.334 0.020 . 1 . . . . A 206 ALA HA . 34781 1 2246 . 1 . 1 190 190 ALA HB1 H 1 1.412 0.020 . 1 . . . . A 206 ALA HB1 . 34781 1 2247 . 1 . 1 190 190 ALA HB2 H 1 1.412 0.020 . 1 . . . . A 206 ALA HB2 . 34781 1 2248 . 1 . 1 190 190 ALA HB3 H 1 1.412 0.020 . 1 . . . . A 206 ALA HB3 . 34781 1 2249 . 1 . 1 190 190 ALA C C 13 177.810 0.400 . 1 . . . . A 206 ALA C . 34781 1 2250 . 1 . 1 190 190 ALA CA C 13 52.729 0.400 . 1 . . . . A 206 ALA CA . 34781 1 2251 . 1 . 1 190 190 ALA CB C 13 19.454 0.400 . 1 . . . . A 206 ALA CB . 34781 1 2252 . 1 . 1 190 190 ALA N N 15 123.804 0.400 . 1 . . . . A 206 ALA N . 34781 1 2253 . 1 . 1 191 191 GLU H H 1 8.138 0.020 . 1 . . . . A 207 GLU H . 34781 1 2254 . 1 . 1 191 191 GLU HA H 1 4.261 0.020 . 1 . . . . A 207 GLU HA . 34781 1 2255 . 1 . 1 191 191 GLU HB2 H 1 2.056 0.020 . 2 . . . . A 207 GLU HB2 . 34781 1 2256 . 1 . 1 191 191 GLU HB3 H 1 1.995 0.020 . 2 . . . . A 207 GLU HB3 . 34781 1 2257 . 1 . 1 191 191 GLU HG2 H 1 2.318 0.020 . 2 . . . . A 207 GLU HG2 . 34781 1 2258 . 1 . 1 191 191 GLU HG3 H 1 2.254 0.020 . 2 . . . . A 207 GLU HG3 . 34781 1 2259 . 1 . 1 191 191 GLU C C 13 176.543 0.400 . 1 . . . . A 207 GLU C . 34781 1 2260 . 1 . 1 191 191 GLU CA C 13 56.896 0.400 . 1 . . . . A 207 GLU CA . 34781 1 2261 . 1 . 1 191 191 GLU CB C 13 30.512 0.400 . 1 . . . . A 207 GLU CB . 34781 1 2262 . 1 . 1 191 191 GLU CG C 13 36.454 0.400 . 1 . . . . A 207 GLU CG . 34781 1 2263 . 1 . 1 191 191 GLU N N 15 119.937 0.400 . 1 . . . . A 207 GLU N . 34781 1 2264 . 1 . 1 192 192 LYS H H 1 8.170 0.020 . 1 . . . . A 208 LYS H . 34781 1 2265 . 1 . 1 192 192 LYS HA H 1 4.313 0.020 . 1 . . . . A 208 LYS HA . 34781 1 2266 . 1 . 1 192 192 LYS HB2 H 1 1.850 0.020 . 2 . . . . A 208 LYS HB2 . 34781 1 2267 . 1 . 1 192 192 LYS HB3 H 1 1.784 0.020 . 2 . . . . A 208 LYS HB3 . 34781 1 2268 . 1 . 1 192 192 LYS HG2 H 1 1.501 0.020 . 2 . . . . A 208 LYS HG2 . 34781 1 2269 . 1 . 1 192 192 LYS HG3 H 1 1.501 0.020 . 2 . . . . A 208 LYS HG3 . 34781 1 2270 . 1 . 1 192 192 LYS HD2 H 1 1.726 0.020 . 2 . . . . A 208 LYS HD2 . 34781 1 2271 . 1 . 1 192 192 LYS HD3 H 1 1.726 0.020 . 2 . . . . A 208 LYS HD3 . 34781 1 2272 . 1 . 1 192 192 LYS HE2 H 1 3.041 0.020 . 2 . . . . A 208 LYS HE2 . 34781 1 2273 . 1 . 1 192 192 LYS HE3 H 1 3.041 0.020 . 2 . . . . A 208 LYS HE3 . 34781 1 2274 . 1 . 1 192 192 LYS C C 13 176.351 0.400 . 1 . . . . A 208 LYS C . 34781 1 2275 . 1 . 1 192 192 LYS CA C 13 56.388 0.400 . 1 . . . . A 208 LYS CA . 34781 1 2276 . 1 . 1 192 192 LYS CB C 13 33.266 0.400 . 1 . . . . A 208 LYS CB . 34781 1 2277 . 1 . 1 192 192 LYS CG C 13 24.877 0.400 . 1 . . . . A 208 LYS CG . 34781 1 2278 . 1 . 1 192 192 LYS CD C 13 29.226 0.400 . 1 . . . . A 208 LYS CD . 34781 1 2279 . 1 . 1 192 192 LYS CE C 13 42.431 0.400 . 1 . . . . A 208 LYS CE . 34781 1 2280 . 1 . 1 192 192 LYS N N 15 122.118 0.400 . 1 . . . . A 208 LYS N . 34781 1 2281 . 1 . 1 193 193 LYS HA H 1 4.383 0.020 . 1 . . . . A 209 LYS HA . 34781 1 2282 . 1 . 1 193 193 LYS HB2 H 1 1.818 0.020 . 2 . . . . A 209 LYS HB2 . 34781 1 2283 . 1 . 1 193 193 LYS HB3 H 1 1.818 0.020 . 2 . . . . A 209 LYS HB3 . 34781 1 2284 . 1 . 1 193 193 LYS HG2 H 1 1.445 0.020 . 2 . . . . A 209 LYS HG2 . 34781 1 2285 . 1 . 1 193 193 LYS HG3 H 1 1.445 0.020 . 2 . . . . A 209 LYS HG3 . 34781 1 2286 . 1 . 1 193 193 LYS HD2 H 1 1.703 0.020 . 2 . . . . A 209 LYS HD2 . 34781 1 2287 . 1 . 1 193 193 LYS HD3 H 1 1.703 0.020 . 2 . . . . A 209 LYS HD3 . 34781 1 2288 . 1 . 1 193 193 LYS HE2 H 1 3.016 0.020 . 2 . . . . A 209 LYS HE2 . 34781 1 2289 . 1 . 1 193 193 LYS HE3 H 1 3.016 0.020 . 2 . . . . A 209 LYS HE3 . 34781 1 2290 . 1 . 1 193 193 LYS C C 13 176.322 0.400 . 1 . . . . A 209 LYS C . 34781 1 2291 . 1 . 1 193 193 LYS CA C 13 56.344 0.400 . 1 . . . . A 209 LYS CA . 34781 1 2292 . 1 . 1 193 193 LYS CB C 13 33.198 0.400 . 1 . . . . A 209 LYS CB . 34781 1 2293 . 1 . 1 193 193 LYS CG C 13 24.882 0.400 . 1 . . . . A 209 LYS CG . 34781 1 2294 . 1 . 1 193 193 LYS CD C 13 29.185 0.400 . 1 . . . . A 209 LYS CD . 34781 1 2295 . 1 . 1 193 193 LYS CE C 13 42.444 0.400 . 1 . . . . A 209 LYS CE . 34781 1 2296 . 1 . 1 194 194 VAL H H 1 8.053 0.020 . 1 . . . . A 210 VAL H . 34781 1 2297 . 1 . 1 194 194 VAL HA H 1 4.155 0.020 . 1 . . . . A 210 VAL HA . 34781 1 2298 . 1 . 1 194 194 VAL HB H 1 2.071 0.020 . 1 . . . . A 210 VAL HB . 34781 1 2299 . 1 . 1 194 194 VAL HG11 H 1 0.949 0.020 . 2 . . . . A 210 VAL HG11 . 34781 1 2300 . 1 . 1 194 194 VAL HG12 H 1 0.949 0.020 . 2 . . . . A 210 VAL HG12 . 34781 1 2301 . 1 . 1 194 194 VAL HG13 H 1 0.949 0.020 . 2 . . . . A 210 VAL HG13 . 34781 1 2302 . 1 . 1 194 194 VAL HG21 H 1 0.950 0.020 . 2 . . . . A 210 VAL HG21 . 34781 1 2303 . 1 . 1 194 194 VAL HG22 H 1 0.950 0.020 . 2 . . . . A 210 VAL HG22 . 34781 1 2304 . 1 . 1 194 194 VAL HG23 H 1 0.950 0.020 . 2 . . . . A 210 VAL HG23 . 34781 1 2305 . 1 . 1 194 194 VAL C C 13 175.419 0.400 . 1 . . . . A 210 VAL C . 34781 1 2306 . 1 . 1 194 194 VAL CA C 13 61.969 0.400 . 1 . . . . A 210 VAL CA . 34781 1 2307 . 1 . 1 194 194 VAL CB C 13 33.093 0.400 . 1 . . . . A 210 VAL CB . 34781 1 2308 . 1 . 1 194 194 VAL CG1 C 13 21.298 0.400 . 2 . . . . A 210 VAL CG1 . 34781 1 2309 . 1 . 1 194 194 VAL CG2 C 13 20.581 0.400 . 2 . . . . A 210 VAL CG2 . 34781 1 2310 . 1 . 1 194 194 VAL N N 15 121.479 0.400 . 1 . . . . A 210 VAL N . 34781 1 2311 . 1 . 1 195 195 ALA H H 1 8.303 0.020 . 1 . . . . A 211 ALA H . 34781 1 2312 . 1 . 1 195 195 ALA HA H 1 4.636 0.020 . 1 . . . . A 211 ALA HA . 34781 1 2313 . 1 . 1 195 195 ALA HB1 H 1 1.393 0.020 . 1 . . . . A 211 ALA HB1 . 34781 1 2314 . 1 . 1 195 195 ALA HB2 H 1 1.393 0.020 . 1 . . . . A 211 ALA HB2 . 34781 1 2315 . 1 . 1 195 195 ALA HB3 H 1 1.393 0.020 . 1 . . . . A 211 ALA HB3 . 34781 1 2316 . 1 . 1 195 195 ALA CA C 13 50.516 0.400 . 1 . . . . A 211 ALA CA . 34781 1 2317 . 1 . 1 195 195 ALA CB C 13 18.462 0.400 . 1 . . . . A 211 ALA CB . 34781 1 2318 . 1 . 1 195 195 ALA N N 15 129.445 0.400 . 1 . . . . A 211 ALA N . 34781 1 2319 . 1 . 1 196 196 PRO HA H 1 4.459 0.020 . 1 . . . . A 212 PRO HA . 34781 1 2320 . 1 . 1 196 196 PRO HB2 H 1 2.338 0.020 . 2 . . . . A 212 PRO HB2 . 34781 1 2321 . 1 . 1 196 196 PRO HB3 H 1 1.948 0.020 . 2 . . . . A 212 PRO HB3 . 34781 1 2322 . 1 . 1 196 196 PRO HG2 H 1 2.049 0.020 . 2 . . . . A 212 PRO HG2 . 34781 1 2323 . 1 . 1 196 196 PRO HG3 H 1 2.049 0.020 . 2 . . . . A 212 PRO HG3 . 34781 1 2324 . 1 . 1 196 196 PRO HD2 H 1 3.845 0.020 . 2 . . . . A 212 PRO HD2 . 34781 1 2325 . 1 . 1 196 196 PRO HD3 H 1 3.679 0.020 . 2 . . . . A 212 PRO HD3 . 34781 1 2326 . 1 . 1 196 196 PRO C C 13 176.914 0.400 . 1 . . . . A 212 PRO C . 34781 1 2327 . 1 . 1 196 196 PRO CA C 13 63.195 0.400 . 1 . . . . A 212 PRO CA . 34781 1 2328 . 1 . 1 196 196 PRO CB C 13 32.223 0.400 . 1 . . . . A 212 PRO CB . 34781 1 2329 . 1 . 1 196 196 PRO CG C 13 27.490 0.400 . 1 . . . . A 212 PRO CG . 34781 1 2330 . 1 . 1 196 196 PRO CD C 13 50.744 0.400 . 1 . . . . A 212 PRO CD . 34781 1 2331 . 1 . 1 197 197 LYS H H 1 8.285 0.020 . 1 . . . . A 213 LYS H . 34781 1 2332 . 1 . 1 197 197 LYS C C 13 176.448 0.400 . 1 . . . . A 213 LYS C . 34781 1 2333 . 1 . 1 197 197 LYS CA C 13 56.199 0.400 . 1 . . . . A 213 LYS CA . 34781 1 2334 . 1 . 1 197 197 LYS CB C 13 33.062 0.400 . 1 . . . . A 213 LYS CB . 34781 1 2335 . 1 . 1 197 197 LYS N N 15 121.618 0.400 . 1 . . . . A 213 LYS N . 34781 1 2336 . 1 . 1 198 198 ALA HA H 1 4.402 0.020 . 1 . . . . A 214 ALA HA . 34781 1 2337 . 1 . 1 198 198 ALA HB1 H 1 1.423 0.020 . 1 . . . . A 214 ALA HB1 . 34781 1 2338 . 1 . 1 198 198 ALA HB2 H 1 1.423 0.020 . 1 . . . . A 214 ALA HB2 . 34781 1 2339 . 1 . 1 198 198 ALA HB3 H 1 1.423 0.020 . 1 . . . . A 214 ALA HB3 . 34781 1 2340 . 1 . 1 198 198 ALA CA C 13 52.467 0.400 . 1 . . . . A 214 ALA CA . 34781 1 2341 . 1 . 1 198 198 ALA CB C 13 19.507 0.400 . 1 . . . . A 214 ALA CB . 34781 1 2342 . 1 . 1 199 199 THR CA C 13 53.201 0.400 . 1 . . . . A 215 THR CA . 34781 1 2343 . 1 . 1 200 200 THR HA H 1 4.375 0.020 . 1 . . . . A 216 THR HA . 34781 1 2344 . 1 . 1 200 200 THR HB H 1 4.277 0.020 . 1 . . . . A 216 THR HB . 34781 1 2345 . 1 . 1 200 200 THR HG21 H 1 1.249 0.020 . 1 . . . . A 216 THR HG21 . 34781 1 2346 . 1 . 1 200 200 THR HG22 H 1 1.249 0.020 . 1 . . . . A 216 THR HG22 . 34781 1 2347 . 1 . 1 200 200 THR HG23 H 1 1.249 0.020 . 1 . . . . A 216 THR HG23 . 34781 1 2348 . 1 . 1 200 200 THR CA C 13 61.893 0.400 . 1 . . . . A 216 THR CA . 34781 1 2349 . 1 . 1 200 200 THR CB C 13 69.968 0.400 . 1 . . . . A 216 THR CB . 34781 1 2350 . 1 . 1 200 200 THR CG2 C 13 21.720 0.400 . 1 . . . . A 216 THR CG2 . 34781 1 2351 . 1 . 1 201 201 GLY C C 13 173.751 0.400 . 1 . . . . A 217 GLY C . 34781 1 2352 . 1 . 1 201 201 GLY CA C 13 45.205 0.400 . 1 . . . . A 217 GLY CA . 34781 1 2353 . 1 . 1 202 202 ARG HA H 1 4.322 0.020 . 1 . . . . A 218 ARG HA . 34781 1 2354 . 1 . 1 202 202 ARG HB2 H 1 1.747 0.020 . 2 . . . . A 218 ARG HB2 . 34781 1 2355 . 1 . 1 202 202 ARG HB3 H 1 1.747 0.020 . 2 . . . . A 218 ARG HB3 . 34781 1 2356 . 1 . 1 202 202 ARG HG2 H 1 1.667 0.020 . 2 . . . . A 218 ARG HG2 . 34781 1 2357 . 1 . 1 202 202 ARG HG3 H 1 1.667 0.020 . 2 . . . . A 218 ARG HG3 . 34781 1 2358 . 1 . 1 202 202 ARG HD2 H 1 3.184 0.020 . 2 . . . . A 218 ARG HD2 . 34781 1 2359 . 1 . 1 202 202 ARG HD3 H 1 3.184 0.020 . 2 . . . . A 218 ARG HD3 . 34781 1 2360 . 1 . 1 202 202 ARG C C 13 175.508 0.400 . 1 . . . . A 218 ARG C . 34781 1 2361 . 1 . 1 202 202 ARG CA C 13 56.193 0.400 . 1 . . . . A 218 ARG CA . 34781 1 2362 . 1 . 1 202 202 ARG CB C 13 31.132 0.400 . 1 . . . . A 218 ARG CB . 34781 1 2363 . 1 . 1 202 202 ARG CG C 13 27.127 0.400 . 1 . . . . A 218 ARG CG . 34781 1 2364 . 1 . 1 202 202 ARG CD C 13 43.550 0.400 . 1 . . . . A 218 ARG CD . 34781 1 2365 . 1 . 1 203 203 ARG H H 1 7.975 0.020 . 1 . . . . A 219 ARG H . 34781 1 2366 . 1 . 1 203 203 ARG HA H 1 4.213 0.020 . 1 . . . . A 219 ARG HA . 34781 1 2367 . 1 . 1 203 203 ARG HB2 H 1 1.749 0.020 . 2 . . . . A 219 ARG HB2 . 34781 1 2368 . 1 . 1 203 203 ARG HB3 H 1 1.749 0.020 . 2 . . . . A 219 ARG HB3 . 34781 1 2369 . 1 . 1 203 203 ARG HG2 H 1 1.634 0.020 . 2 . . . . A 219 ARG HG2 . 34781 1 2370 . 1 . 1 203 203 ARG HG3 H 1 1.634 0.020 . 2 . . . . A 219 ARG HG3 . 34781 1 2371 . 1 . 1 203 203 ARG HD2 H 1 3.229 0.020 . 2 . . . . A 219 ARG HD2 . 34781 1 2372 . 1 . 1 203 203 ARG HD3 H 1 3.229 0.020 . 2 . . . . A 219 ARG HD3 . 34781 1 2373 . 1 . 1 203 203 ARG C C 13 180.981 0.400 . 1 . . . . A 219 ARG C . 34781 1 2374 . 1 . 1 203 203 ARG CA C 13 57.650 0.400 . 1 . . . . A 219 ARG CA . 34781 1 2375 . 1 . 1 203 203 ARG CB C 13 31.719 0.400 . 1 . . . . A 219 ARG CB . 34781 1 2376 . 1 . 1 203 203 ARG CG C 13 27.330 0.400 . 1 . . . . A 219 ARG CG . 34781 1 2377 . 1 . 1 203 203 ARG CD C 13 43.533 0.400 . 1 . . . . A 219 ARG CD . 34781 1 2378 . 1 . 1 203 203 ARG N N 15 127.813 0.400 . 1 . . . . A 219 ARG N . 34781 1 2379 . 1 . 1 204 204 PHE HA H 1 4.700 0.020 . 1 . . . . A 220 PHE HA . 34781 1 2380 . 1 . 1 204 204 PHE HB2 H 1 3.245 0.020 . 2 . . . . A 220 PHE HB2 . 34781 1 2381 . 1 . 1 204 204 PHE HB3 H 1 3.001 0.020 . 2 . . . . A 220 PHE HB3 . 34781 1 2382 . 1 . 1 204 204 PHE HD1 H 1 7.456 0.020 . 1 . . . . A 220 PHE HD1 . 34781 1 2383 . 1 . 1 204 204 PHE HD2 H 1 7.456 0.020 . 1 . . . . A 220 PHE HD2 . 34781 1 2384 . 1 . 1 204 204 PHE HE1 H 1 7.410 0.020 . 1 . . . . A 220 PHE HE1 . 34781 1 2385 . 1 . 1 204 204 PHE HE2 H 1 7.410 0.020 . 1 . . . . A 220 PHE HE2 . 34781 1 2386 . 1 . 1 204 204 PHE HZ H 1 7.364 0.020 . 1 . . . . A 220 PHE HZ . 34781 1 2387 . 1 . 1 204 204 PHE C C 13 175.089 0.400 . 1 . . . . A 220 PHE C . 34781 1 2388 . 1 . 1 204 204 PHE CA C 13 57.629 0.400 . 1 . . . . A 220 PHE CA . 34781 1 2389 . 1 . 1 204 204 PHE CB C 13 39.691 0.400 . 1 . . . . A 220 PHE CB . 34781 1 2390 . 1 . 1 204 204 PHE CD1 C 13 132.247 0.400 . 3 . . . . A 220 PHE CD1 . 34781 1 2391 . 1 . 1 204 204 PHE CZ C 13 131.593 0.400 . 1 . . . . A 220 PHE CZ . 34781 1 2392 . 1 . 1 205 205 LEU HA H 1 4.385 0.020 . 1 . . . . A 221 LEU HA . 34781 1 2393 . 1 . 1 205 205 LEU HB2 H 1 1.605 0.020 . 2 . . . . A 221 LEU HB2 . 34781 1 2394 . 1 . 1 205 205 LEU HB3 H 1 1.485 0.020 . 2 . . . . A 221 LEU HB3 . 34781 1 2395 . 1 . 1 205 205 LEU HG H 1 1.584 0.020 . 1 . . . . A 221 LEU HG . 34781 1 2396 . 1 . 1 205 205 LEU HD11 H 1 0.922 0.020 . 2 . . . . A 221 LEU HD11 . 34781 1 2397 . 1 . 1 205 205 LEU HD12 H 1 0.922 0.020 . 2 . . . . A 221 LEU HD12 . 34781 1 2398 . 1 . 1 205 205 LEU HD13 H 1 0.922 0.020 . 2 . . . . A 221 LEU HD13 . 34781 1 2399 . 1 . 1 205 205 LEU HD21 H 1 0.858 0.020 . 2 . . . . A 221 LEU HD21 . 34781 1 2400 . 1 . 1 205 205 LEU HD22 H 1 0.858 0.020 . 2 . . . . A 221 LEU HD22 . 34781 1 2401 . 1 . 1 205 205 LEU HD23 H 1 0.858 0.020 . 2 . . . . A 221 LEU HD23 . 34781 1 2402 . 1 . 1 205 205 LEU C C 13 176.394 0.400 . 1 . . . . A 221 LEU C . 34781 1 2403 . 1 . 1 205 205 LEU CA C 13 54.910 0.400 . 1 . . . . A 221 LEU CA . 34781 1 2404 . 1 . 1 205 205 LEU CB C 13 42.492 0.400 . 1 . . . . A 221 LEU CB . 34781 1 2405 . 1 . 1 205 205 LEU CD1 C 13 24.883 0.400 . 2 . . . . A 221 LEU CD1 . 34781 1 2406 . 1 . 1 205 205 LEU CD2 C 13 23.409 0.400 . 2 . . . . A 221 LEU CD2 . 34781 1 2407 . 1 . 1 206 206 LEU HA H 1 4.300 0.020 . 1 . . . . A 222 LEU HA . 34781 1 2408 . 1 . 1 206 206 LEU HB2 H 1 1.537 0.020 . 2 . . . . A 222 LEU HB2 . 34781 1 2409 . 1 . 1 206 206 LEU HB3 H 1 1.537 0.020 . 2 . . . . A 222 LEU HB3 . 34781 1 2410 . 1 . 1 206 206 LEU C C 13 175.710 0.400 . 1 . . . . A 222 LEU C . 34781 1 2411 . 1 . 1 206 206 LEU CA C 13 54.930 0.400 . 1 . . . . A 222 LEU CA . 34781 1 2412 . 1 . 1 206 206 LEU CB C 13 42.400 0.400 . 1 . . . . A 222 LEU CB . 34781 1 2413 . 1 . 1 207 207 PHE HA H 1 4.463 0.020 . 1 . . . . A 223 PHE HA . 34781 1 2414 . 1 . 1 207 207 PHE HB2 H 1 3.198 0.020 . 2 . . . . A 223 PHE HB2 . 34781 1 2415 . 1 . 1 207 207 PHE HB3 H 1 2.986 0.020 . 2 . . . . A 223 PHE HB3 . 34781 1 2416 . 1 . 1 207 207 PHE HD1 H 1 7.360 0.020 . 1 . . . . A 223 PHE HD1 . 34781 1 2417 . 1 . 1 207 207 PHE HD2 H 1 7.360 0.020 . 1 . . . . A 223 PHE HD2 . 34781 1 2418 . 1 . 1 207 207 PHE HE1 H 1 7.299 0.020 . 1 . . . . A 223 PHE HE1 . 34781 1 2419 . 1 . 1 207 207 PHE HE2 H 1 7.299 0.020 . 1 . . . . A 223 PHE HE2 . 34781 1 2420 . 1 . 1 207 207 PHE HZ H 1 7.268 0.020 . 1 . . . . A 223 PHE HZ . 34781 1 2421 . 1 . 1 207 207 PHE C C 13 180.036 0.400 . 1 . . . . A 223 PHE C . 34781 1 2422 . 1 . 1 207 207 PHE CA C 13 59.065 0.400 . 1 . . . . A 223 PHE CA . 34781 1 2423 . 1 . 1 207 207 PHE CB C 13 40.517 0.400 . 1 . . . . A 223 PHE CB . 34781 1 2424 . 1 . 1 207 207 PHE CD1 C 13 132.410 0.400 . 3 . . . . A 223 PHE CD1 . 34781 1 2425 . 1 . 1 207 207 PHE CE1 C 13 132.283 0.400 . 3 . . . . A 223 PHE CE1 . 34781 1 2426 . 1 . 1 207 207 PHE CZ C 13 132.337 0.400 . 1 . . . . A 223 PHE CZ . 34781 1 stop_ save_