data_27244 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27244 _Entry.Title ; Chemical shifts assignments of Escherichia coli aquaporin (AqpZ) by solid-state NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-06 _Entry.Accession_date 2017-09-06 _Entry.Last_release_date 2017-09-06 _Entry.Original_release_date 2017-09-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLID-STATE _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 'Hua yong' Xie . . . . 27244 2 'Yong xiang' Zhao . . . . 27244 3 Jun yang . . . . 27244 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27244 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 840 27244 '15N chemical shifts' 220 27244 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-10-02 . original BMRB . 27244 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27244 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Chemical shifts assignments of Escherichia coli aquaporin (AqpZ) by solid-state NMR ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Hua yong' Xie . . . . 27244 1 2 'Yong xiang' Zhao . . . . 27244 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27244 _Assembly.ID 1 _Assembly.Name AqpZ _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 24302 _Assembly.Enzyme_commission_number . _Assembly.Details ; The AqpZ proteoliposome was prepared by dialysis of protein, detergent and lipid mixtures. In details, the 10mg/ml liposome stock was prepared by hydration and Ultrasonic bath methods. The POPC/POPG lipids was dissolved by 2%DPC and mixed with AqpZ in elution buffer (20mM Tris, PH8.0, 100mM NaCl, 10% glycerol, 250mM imidazole, 0.5%DPC). The final AqpZ protein concentration is 0.6-0.7mg/ml, the mass ratio of lipid to protein is 1.25. After incubated 2h in 291K, the protein, detergent and lipids mixture was put into 8KD dialysis bag against a 1000 20mM Tris (pH8.0,291K), 50mM NaCl buffer. The dialysis buffer was changed every 24hours, after 7 days the AqpZ POPC/POPG proteoliposome was collected by centrifugation at 80,000rpm for 2h. ; _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 AqpZ 1 $AqpZ A . yes native no no . . . 27244 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1RC2 . . X-ray 2.5 . 'X-ray Structure for the AqpZ in this study' 27244 1 yes PDB 2ABM . . X-ray 3.2 . 'X-ray Structure for the AqpZ in this study' 27244 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AqpZ _Entity.Sf_category entity _Entity.Sf_framecode AqpZ _Entity.Entry_ID 27244 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AqpZ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHEFMFRKLAAE CFGTFWLVFGGCGSAVLAAG FPELGIGFAGVALAFGLTVL TMAFAVGHISGGHFNPAVTI GLWAGGRFPAKEVVGYVIAQ VVGGIVAAALLYLIASGKTG FDAAASGFASNGYGEHSPGG YSMLSALVVELVLSAGFLLV IHGATDKFAPAGFAPIAIGL ALTLIHLISIPVTNTSVNPA RSTAVAIFQGGWALEQLWFF WVVPIVGGIIGGLIYRTLLE KRD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '231 amino acids' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 243 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes NCBI 'GenBank: CCI77899.1' . aqpZ . . . . . . . . . . . . . . 27244 1 . yes NCBI 'GenBank: CDO13762.1' . aqpZ . . . . . . . . . . . . . . 27244 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -11 MET . 27244 1 2 -10 GLY . 27244 1 3 -9 SER . 27244 1 4 -8 SER . 27244 1 5 -7 HIS . 27244 1 6 -6 HIS . 27244 1 7 -5 HIS . 27244 1 8 -4 HIS . 27244 1 9 -3 HIS . 27244 1 10 -2 HIS . 27244 1 11 -1 GLU . 27244 1 12 0 PHE . 27244 1 13 1 MET . 27244 1 14 2 PHE . 27244 1 15 3 ARG . 27244 1 16 4 LYS . 27244 1 17 5 LEU . 27244 1 18 6 ALA . 27244 1 19 7 ALA . 27244 1 20 8 GLU . 27244 1 21 9 CYS . 27244 1 22 10 PHE . 27244 1 23 11 GLY . 27244 1 24 12 THR . 27244 1 25 13 PHE . 27244 1 26 14 TRP . 27244 1 27 15 LEU . 27244 1 28 16 VAL . 27244 1 29 17 PHE . 27244 1 30 18 GLY . 27244 1 31 19 GLY . 27244 1 32 20 CYS . 27244 1 33 21 GLY . 27244 1 34 22 SER . 27244 1 35 23 ALA . 27244 1 36 24 VAL . 27244 1 37 25 LEU . 27244 1 38 26 ALA . 27244 1 39 27 ALA . 27244 1 40 28 GLY . 27244 1 41 29 PHE . 27244 1 42 30 PRO . 27244 1 43 31 GLU . 27244 1 44 32 LEU . 27244 1 45 33 GLY . 27244 1 46 34 ILE . 27244 1 47 35 GLY . 27244 1 48 36 PHE . 27244 1 49 37 ALA . 27244 1 50 38 GLY . 27244 1 51 39 VAL . 27244 1 52 40 ALA . 27244 1 53 41 LEU . 27244 1 54 42 ALA . 27244 1 55 43 PHE . 27244 1 56 44 GLY . 27244 1 57 45 LEU . 27244 1 58 46 THR . 27244 1 59 47 VAL . 27244 1 60 48 LEU . 27244 1 61 49 THR . 27244 1 62 50 MET . 27244 1 63 51 ALA . 27244 1 64 52 PHE . 27244 1 65 53 ALA . 27244 1 66 54 VAL . 27244 1 67 55 GLY . 27244 1 68 56 HIS . 27244 1 69 57 ILE . 27244 1 70 58 SER . 27244 1 71 59 GLY . 27244 1 72 60 GLY . 27244 1 73 61 HIS . 27244 1 74 62 PHE . 27244 1 75 63 ASN . 27244 1 76 64 PRO . 27244 1 77 65 ALA . 27244 1 78 66 VAL . 27244 1 79 67 THR . 27244 1 80 68 ILE . 27244 1 81 69 GLY . 27244 1 82 70 LEU . 27244 1 83 71 TRP . 27244 1 84 72 ALA . 27244 1 85 73 GLY . 27244 1 86 74 GLY . 27244 1 87 75 ARG . 27244 1 88 76 PHE . 27244 1 89 77 PRO . 27244 1 90 78 ALA . 27244 1 91 79 LYS . 27244 1 92 80 GLU . 27244 1 93 81 VAL . 27244 1 94 82 VAL . 27244 1 95 83 GLY . 27244 1 96 84 TYR . 27244 1 97 85 VAL . 27244 1 98 86 ILE . 27244 1 99 87 ALA . 27244 1 100 88 GLN . 27244 1 101 89 VAL . 27244 1 102 90 VAL . 27244 1 103 91 GLY . 27244 1 104 92 GLY . 27244 1 105 93 ILE . 27244 1 106 94 VAL . 27244 1 107 95 ALA . 27244 1 108 96 ALA . 27244 1 109 97 ALA . 27244 1 110 98 LEU . 27244 1 111 99 LEU . 27244 1 112 100 TYR . 27244 1 113 101 LEU . 27244 1 114 102 ILE . 27244 1 115 103 ALA . 27244 1 116 104 SER . 27244 1 117 105 GLY . 27244 1 118 106 LYS . 27244 1 119 107 THR . 27244 1 120 108 GLY . 27244 1 121 109 PHE . 27244 1 122 110 ASP . 27244 1 123 111 ALA . 27244 1 124 112 ALA . 27244 1 125 113 ALA . 27244 1 126 114 SER . 27244 1 127 115 GLY . 27244 1 128 116 PHE . 27244 1 129 117 ALA . 27244 1 130 118 SER . 27244 1 131 119 ASN . 27244 1 132 120 GLY . 27244 1 133 121 TYR . 27244 1 134 122 GLY . 27244 1 135 123 GLU . 27244 1 136 124 HIS . 27244 1 137 125 SER . 27244 1 138 126 PRO . 27244 1 139 127 GLY . 27244 1 140 128 GLY . 27244 1 141 129 TYR . 27244 1 142 130 SER . 27244 1 143 131 MET . 27244 1 144 132 LEU . 27244 1 145 133 SER . 27244 1 146 134 ALA . 27244 1 147 135 LEU . 27244 1 148 136 VAL . 27244 1 149 137 VAL . 27244 1 150 138 GLU . 27244 1 151 139 LEU . 27244 1 152 140 VAL . 27244 1 153 141 LEU . 27244 1 154 142 SER . 27244 1 155 143 ALA . 27244 1 156 144 GLY . 27244 1 157 145 PHE . 27244 1 158 146 LEU . 27244 1 159 147 LEU . 27244 1 160 148 VAL . 27244 1 161 149 ILE . 27244 1 162 150 HIS . 27244 1 163 151 GLY . 27244 1 164 152 ALA . 27244 1 165 153 THR . 27244 1 166 154 ASP . 27244 1 167 155 LYS . 27244 1 168 156 PHE . 27244 1 169 157 ALA . 27244 1 170 158 PRO . 27244 1 171 159 ALA . 27244 1 172 160 GLY . 27244 1 173 161 PHE . 27244 1 174 162 ALA . 27244 1 175 163 PRO . 27244 1 176 164 ILE . 27244 1 177 165 ALA . 27244 1 178 166 ILE . 27244 1 179 167 GLY . 27244 1 180 168 LEU . 27244 1 181 169 ALA . 27244 1 182 170 LEU . 27244 1 183 171 THR . 27244 1 184 172 LEU . 27244 1 185 173 ILE . 27244 1 186 174 HIS . 27244 1 187 175 LEU . 27244 1 188 176 ILE . 27244 1 189 177 SER . 27244 1 190 178 ILE . 27244 1 191 179 PRO . 27244 1 192 180 VAL . 27244 1 193 181 THR . 27244 1 194 182 ASN . 27244 1 195 183 THR . 27244 1 196 184 SER . 27244 1 197 185 VAL . 27244 1 198 186 ASN . 27244 1 199 187 PRO . 27244 1 200 188 ALA . 27244 1 201 189 ARG . 27244 1 202 190 SER . 27244 1 203 191 THR . 27244 1 204 192 ALA . 27244 1 205 193 VAL . 27244 1 206 194 ALA . 27244 1 207 195 ILE . 27244 1 208 196 PHE . 27244 1 209 197 GLN . 27244 1 210 198 GLY . 27244 1 211 199 GLY . 27244 1 212 200 TRP . 27244 1 213 201 ALA . 27244 1 214 202 LEU . 27244 1 215 203 GLU . 27244 1 216 204 GLN . 27244 1 217 205 LEU . 27244 1 218 206 TRP . 27244 1 219 207 PHE . 27244 1 220 208 PHE . 27244 1 221 209 TRP . 27244 1 222 210 VAL . 27244 1 223 211 VAL . 27244 1 224 212 PRO . 27244 1 225 213 ILE . 27244 1 226 214 VAL . 27244 1 227 215 GLY . 27244 1 228 216 GLY . 27244 1 229 217 ILE . 27244 1 230 218 ILE . 27244 1 231 219 GLY . 27244 1 232 220 GLY . 27244 1 233 221 LEU . 27244 1 234 222 ILE . 27244 1 235 223 TYR . 27244 1 236 224 ARG . 27244 1 237 225 THR . 27244 1 238 226 LEU . 27244 1 239 227 LEU . 27244 1 240 228 GLU . 27244 1 241 229 LYS . 27244 1 242 230 ARG . 27244 1 243 231 ASP . 27244 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27244 1 . GLY 2 2 27244 1 . SER 3 3 27244 1 . SER 4 4 27244 1 . HIS 5 5 27244 1 . HIS 6 6 27244 1 . HIS 7 7 27244 1 . HIS 8 8 27244 1 . HIS 9 9 27244 1 . HIS 10 10 27244 1 . GLU 11 11 27244 1 . PHE 12 12 27244 1 . MET 13 13 27244 1 . PHE 14 14 27244 1 . ARG 15 15 27244 1 . LYS 16 16 27244 1 . LEU 17 17 27244 1 . ALA 18 18 27244 1 . ALA 19 19 27244 1 . GLU 20 20 27244 1 . CYS 21 21 27244 1 . PHE 22 22 27244 1 . GLY 23 23 27244 1 . THR 24 24 27244 1 . PHE 25 25 27244 1 . TRP 26 26 27244 1 . LEU 27 27 27244 1 . VAL 28 28 27244 1 . PHE 29 29 27244 1 . GLY 30 30 27244 1 . GLY 31 31 27244 1 . CYS 32 32 27244 1 . GLY 33 33 27244 1 . SER 34 34 27244 1 . ALA 35 35 27244 1 . VAL 36 36 27244 1 . LEU 37 37 27244 1 . ALA 38 38 27244 1 . ALA 39 39 27244 1 . GLY 40 40 27244 1 . PHE 41 41 27244 1 . PRO 42 42 27244 1 . GLU 43 43 27244 1 . LEU 44 44 27244 1 . GLY 45 45 27244 1 . ILE 46 46 27244 1 . GLY 47 47 27244 1 . PHE 48 48 27244 1 . ALA 49 49 27244 1 . GLY 50 50 27244 1 . VAL 51 51 27244 1 . ALA 52 52 27244 1 . LEU 53 53 27244 1 . ALA 54 54 27244 1 . PHE 55 55 27244 1 . GLY 56 56 27244 1 . LEU 57 57 27244 1 . THR 58 58 27244 1 . VAL 59 59 27244 1 . LEU 60 60 27244 1 . THR 61 61 27244 1 . MET 62 62 27244 1 . ALA 63 63 27244 1 . PHE 64 64 27244 1 . ALA 65 65 27244 1 . VAL 66 66 27244 1 . GLY 67 67 27244 1 . HIS 68 68 27244 1 . ILE 69 69 27244 1 . SER 70 70 27244 1 . GLY 71 71 27244 1 . GLY 72 72 27244 1 . HIS 73 73 27244 1 . PHE 74 74 27244 1 . ASN 75 75 27244 1 . PRO 76 76 27244 1 . ALA 77 77 27244 1 . VAL 78 78 27244 1 . THR 79 79 27244 1 . ILE 80 80 27244 1 . GLY 81 81 27244 1 . LEU 82 82 27244 1 . TRP 83 83 27244 1 . ALA 84 84 27244 1 . GLY 85 85 27244 1 . GLY 86 86 27244 1 . ARG 87 87 27244 1 . PHE 88 88 27244 1 . PRO 89 89 27244 1 . ALA 90 90 27244 1 . LYS 91 91 27244 1 . GLU 92 92 27244 1 . VAL 93 93 27244 1 . VAL 94 94 27244 1 . GLY 95 95 27244 1 . TYR 96 96 27244 1 . VAL 97 97 27244 1 . ILE 98 98 27244 1 . ALA 99 99 27244 1 . GLN 100 100 27244 1 . VAL 101 101 27244 1 . VAL 102 102 27244 1 . GLY 103 103 27244 1 . GLY 104 104 27244 1 . ILE 105 105 27244 1 . VAL 106 106 27244 1 . ALA 107 107 27244 1 . ALA 108 108 27244 1 . ALA 109 109 27244 1 . LEU 110 110 27244 1 . LEU 111 111 27244 1 . TYR 112 112 27244 1 . LEU 113 113 27244 1 . ILE 114 114 27244 1 . ALA 115 115 27244 1 . SER 116 116 27244 1 . GLY 117 117 27244 1 . LYS 118 118 27244 1 . THR 119 119 27244 1 . GLY 120 120 27244 1 . PHE 121 121 27244 1 . ASP 122 122 27244 1 . ALA 123 123 27244 1 . ALA 124 124 27244 1 . ALA 125 125 27244 1 . SER 126 126 27244 1 . GLY 127 127 27244 1 . PHE 128 128 27244 1 . ALA 129 129 27244 1 . SER 130 130 27244 1 . ASN 131 131 27244 1 . GLY 132 132 27244 1 . TYR 133 133 27244 1 . GLY 134 134 27244 1 . GLU 135 135 27244 1 . HIS 136 136 27244 1 . SER 137 137 27244 1 . PRO 138 138 27244 1 . GLY 139 139 27244 1 . GLY 140 140 27244 1 . TYR 141 141 27244 1 . SER 142 142 27244 1 . MET 143 143 27244 1 . LEU 144 144 27244 1 . SER 145 145 27244 1 . ALA 146 146 27244 1 . LEU 147 147 27244 1 . VAL 148 148 27244 1 . VAL 149 149 27244 1 . GLU 150 150 27244 1 . LEU 151 151 27244 1 . VAL 152 152 27244 1 . LEU 153 153 27244 1 . SER 154 154 27244 1 . ALA 155 155 27244 1 . GLY 156 156 27244 1 . PHE 157 157 27244 1 . LEU 158 158 27244 1 . LEU 159 159 27244 1 . VAL 160 160 27244 1 . ILE 161 161 27244 1 . HIS 162 162 27244 1 . GLY 163 163 27244 1 . ALA 164 164 27244 1 . THR 165 165 27244 1 . ASP 166 166 27244 1 . LYS 167 167 27244 1 . PHE 168 168 27244 1 . ALA 169 169 27244 1 . PRO 170 170 27244 1 . ALA 171 171 27244 1 . GLY 172 172 27244 1 . PHE 173 173 27244 1 . ALA 174 174 27244 1 . PRO 175 175 27244 1 . ILE 176 176 27244 1 . ALA 177 177 27244 1 . ILE 178 178 27244 1 . GLY 179 179 27244 1 . LEU 180 180 27244 1 . ALA 181 181 27244 1 . LEU 182 182 27244 1 . THR 183 183 27244 1 . LEU 184 184 27244 1 . ILE 185 185 27244 1 . HIS 186 186 27244 1 . LEU 187 187 27244 1 . ILE 188 188 27244 1 . SER 189 189 27244 1 . ILE 190 190 27244 1 . PRO 191 191 27244 1 . VAL 192 192 27244 1 . THR 193 193 27244 1 . ASN 194 194 27244 1 . THR 195 195 27244 1 . SER 196 196 27244 1 . VAL 197 197 27244 1 . ASN 198 198 27244 1 . PRO 199 199 27244 1 . ALA 200 200 27244 1 . ARG 201 201 27244 1 . SER 202 202 27244 1 . THR 203 203 27244 1 . ALA 204 204 27244 1 . VAL 205 205 27244 1 . ALA 206 206 27244 1 . ILE 207 207 27244 1 . PHE 208 208 27244 1 . GLN 209 209 27244 1 . GLY 210 210 27244 1 . GLY 211 211 27244 1 . TRP 212 212 27244 1 . ALA 213 213 27244 1 . LEU 214 214 27244 1 . GLU 215 215 27244 1 . GLN 216 216 27244 1 . LEU 217 217 27244 1 . TRP 218 218 27244 1 . PHE 219 219 27244 1 . PHE 220 220 27244 1 . TRP 221 221 27244 1 . VAL 222 222 27244 1 . VAL 223 223 27244 1 . PRO 224 224 27244 1 . ILE 225 225 27244 1 . VAL 226 226 27244 1 . GLY 227 227 27244 1 . GLY 228 228 27244 1 . ILE 229 229 27244 1 . ILE 230 230 27244 1 . GLY 231 231 27244 1 . GLY 232 232 27244 1 . LEU 233 233 27244 1 . ILE 234 234 27244 1 . TYR 235 235 27244 1 . ARG 236 236 27244 1 . THR 237 237 27244 1 . LEU 238 238 27244 1 . LEU 239 239 27244 1 . GLU 240 240 27244 1 . LYS 241 241 27244 1 . ARG 242 242 27244 1 . ASP 243 243 27244 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27244 _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 $AqpZ . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27244 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 27244 _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 $AqpZ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Escherichia coli' . . . . . pSD005 . . . 27244 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27244 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details ; U-13C,15N labeled AqpZ in POPC/POPG lipids; The POPC/POPG lipids was dissolved by 2%DPC and mixed with AqpZ in elution buffer (20mM Tris, PH8.0, 100mM NaCl, 10% glycerol, 250mM imidazole, 0.5%DPC). ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '30% H2O' _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 AqpZ '[U-13C; U-15N]' . . 1 $AqpZ . . 70 . . '% w/w' . . . . 27244 1 2 'POPC/POPG lipids' 'natural abundance' . . . . . . . . . '% w/w' . . . . 27244 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 27244 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 0.3 pH 27244 1 pressure 1 0.01 atm 27244 1 temperature 277 3 K 27244 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27244 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27244 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27244 1 processing 27244 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27244 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27244 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27244 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27244 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27244 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27244 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27244 _Software.ID 4 _Software.Type . _Software.Name VNMRJ _Software.Version 2.31A _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27244 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27244 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27244 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27244 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27244 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 600 . . . 27244 1 2 spectrometer_2 Bruker Avance . 800 . . . 27244 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 27244 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D NCACX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27244 1 2 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27244 1 3 '3D CONCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27244 1 4 '3D CANCOCX' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27244 1 5 '3D NCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27244 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27244 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 27244 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329120 . . . . . 27244 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27244 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D NCACX' . . . 27244 1 2 '3D NCOCX' . . . 27244 1 3 '3D CONCA' . . . 27244 1 4 '3D CANCOCX' . . . 27244 1 5 '3D NCACB' . . . 27244 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 17 17 LEU C C 13 179.514 0.3 . 1 . . . . . 5 L C . 27244 1 2 . 1 1 17 17 LEU CA C 13 57.434 0.3 . 1 . . . . . 5 L CA . 27244 1 3 . 1 1 17 17 LEU CB C 13 41.788 0.3 . 1 . . . . . 5 L CB . 27244 1 4 . 1 1 17 17 LEU N N 15 116 0.5 . 1 . . . . . 5 L N . 27244 1 5 . 1 1 18 18 ALA C C 13 178.214 0.3 . 1 . . . . . 6 A C . 27244 1 6 . 1 1 18 18 ALA CA C 13 55.014 0.3 . 1 . . . . . 6 A CA . 27244 1 7 . 1 1 18 18 ALA CB C 13 17.289 0.3 . 1 . . . . . 6 A CB . 27244 1 8 . 1 1 18 18 ALA N N 15 120.883 0.5 . 1 . . . . . 6 A N . 27244 1 9 . 1 1 19 19 ALA C C 13 179.897 0.3 . 1 . . . . . 7 A C . 27244 1 10 . 1 1 19 19 ALA CA C 13 56.198 0.3 . 1 . . . . . 7 A CA . 27244 1 11 . 1 1 19 19 ALA CB C 13 17.595 0.3 . 1 . . . . . 7 A CB . 27244 1 12 . 1 1 19 19 ALA N N 15 120.467 0.5 . 1 . . . . . 7 A N . 27244 1 13 . 1 1 20 20 GLU C C 13 179.521 0.3 . 1 . . . . . 8 E C . 27244 1 14 . 1 1 20 20 GLU CA C 13 59.512 0.3 . 1 . . . . . 8 E CA . 27244 1 15 . 1 1 20 20 GLU CB C 13 30.712 0.3 . 1 . . . . . 8 E CB . 27244 1 16 . 1 1 20 20 GLU CG C 13 37.112 0.3 . 1 . . . . . 8 E CG . 27244 1 17 . 1 1 20 20 GLU CD C 13 182.007 0.3 . 1 . . . . . 8 E CD . 27244 1 18 . 1 1 20 20 GLU N N 15 116.414 0.5 . 1 . . . . . 8 E N . 27244 1 19 . 1 1 21 21 CYS C C 13 177.097 0.3 . 1 . . . . . 9 C C . 27244 1 20 . 1 1 21 21 CYS CA C 13 62.373 0.3 . 1 . . . . . 9 C CA . 27244 1 21 . 1 1 21 21 CYS CB C 13 27.476 0.3 . 1 . . . . . 9 C CB . 27244 1 22 . 1 1 21 21 CYS N N 15 123.589 0.5 . 1 . . . . . 9 C N . 27244 1 23 . 1 1 22 22 PHE C C 13 178.467 0.3 . 1 . . . . . 10 F C . 27244 1 24 . 1 1 22 22 PHE CA C 13 60.261 0.3 . 1 . . . . . 10 F CA . 27244 1 25 . 1 1 22 22 PHE CB C 13 40.309 0.3 . 1 . . . . . 10 F CB . 27244 1 26 . 1 1 22 22 PHE N N 15 121.66 0.5 . 1 . . . . . 10 F N . 27244 1 27 . 1 1 23 23 GLY C C 13 175.122 0.3 . 1 . . . . . 11 G C . 27244 1 28 . 1 1 23 23 GLY CA C 13 47.414 0.3 . 1 . . . . . 11 G CA . 27244 1 29 . 1 1 23 23 GLY N N 15 107.38 0.5 . 1 . . . . . 11 G N . 27244 1 30 . 1 1 26 26 TRP C C 13 174.733 0.3 . 1 . . . . . 14 W C . 27244 1 31 . 1 1 26 26 TRP CA C 13 59.497 0.3 . 1 . . . . . 14 W CA . 27244 1 32 . 1 1 26 26 TRP CB C 13 31.359 0.3 . 1 . . . . . 14 W CB . 27244 1 33 . 1 1 26 26 TRP N N 15 122.014 0.5 . 1 . . . . . 14 W N . 27244 1 34 . 1 1 27 27 LEU C C 13 179.257 0.3 . 1 . . . . . 15 L C . 27244 1 35 . 1 1 27 27 LEU CA C 13 58.323 0.3 . 1 . . . . . 15 L CA . 27244 1 36 . 1 1 27 27 LEU CB C 13 43.181 0.3 . 1 . . . . . 15 L CB . 27244 1 37 . 1 1 27 27 LEU CG C 13 28.186 0.3 . 1 . . . . . 15 L CG . 27244 1 38 . 1 1 27 27 LEU CD1 C 13 25.534 0.3 . 2 . . . . . 15 L CD1 . 27244 1 39 . 1 1 27 27 LEU CD2 C 13 24.667 0.3 . 2 . . . . . 15 L CD2 . 27244 1 40 . 1 1 27 27 LEU N N 15 120.774 0.5 . 1 . . . . . 15 L N . 27244 1 41 . 1 1 28 28 VAL C C 13 177.393 0.3 . 1 . . . . . 16 V C . 27244 1 42 . 1 1 28 28 VAL CA C 13 66.773 0.3 . 1 . . . . . 16 V CA . 27244 1 43 . 1 1 28 28 VAL CB C 13 31.648 0.3 . 1 . . . . . 16 V CB . 27244 1 44 . 1 1 28 28 VAL CG1 C 13 23.988 0.3 . 2 . . . . . 16 V CG1 . 27244 1 45 . 1 1 28 28 VAL CG2 C 13 20.069 0.3 . 2 . . . . . 16 V CG2 . 27244 1 46 . 1 1 28 28 VAL N N 15 118.778 0.5 . 1 . . . . . 16 V N . 27244 1 47 . 1 1 29 29 PHE C C 13 176.922 0.3 . 1 . . . . . 17 F C . 27244 1 48 . 1 1 29 29 PHE CA C 13 62.354 0.3 . 1 . . . . . 17 F CA . 27244 1 49 . 1 1 29 29 PHE CB C 13 40.043 0.3 . 1 . . . . . 17 F CB . 27244 1 50 . 1 1 29 29 PHE CD1 C 13 131.87 0.3 . 1 . . . . . 17 F CD1 . 27244 1 51 . 1 1 29 29 PHE N N 15 119.377 0.5 . 1 . . . . . 17 F N . 27244 1 52 . 1 1 30 30 GLY C C 13 175.365 0.3 . 1 . . . . . 18 G C . 27244 1 53 . 1 1 30 30 GLY CA C 13 45.832 0.3 . 1 . . . . . 18 G CA . 27244 1 54 . 1 1 30 30 GLY N N 15 101.301 0.5 . 1 . . . . . 18 G N . 27244 1 55 . 1 1 31 31 GLY C C 13 175.68 0.3 . 1 . . . . . 19 G C . 27244 1 56 . 1 1 31 31 GLY CA C 13 45.124 0.3 . 1 . . . . . 19 G CA . 27244 1 57 . 1 1 31 31 GLY N N 15 111.34 0.5 . 1 . . . . . 19 G N . 27244 1 58 . 1 1 32 32 CYS C C 13 176.753 0.3 . 1 . . . . . 20 C C . 27244 1 59 . 1 1 32 32 CYS CA C 13 62.225 0.3 . 1 . . . . . 20 C CA . 27244 1 60 . 1 1 32 32 CYS CB C 13 25.05 0.3 . 1 . . . . . 20 C CB . 27244 1 61 . 1 1 32 32 CYS N N 15 119.104 0.5 . 1 . . . . . 20 C N . 27244 1 62 . 1 1 33 33 GLY C C 13 175.228 0.3 . 1 . . . . . 21 G C . 27244 1 63 . 1 1 33 33 GLY CA C 13 47.774 0.3 . 1 . . . . . 21 G CA . 27244 1 64 . 1 1 33 33 GLY N N 15 107.5 0.5 . 1 . . . . . 21 G N . 27244 1 65 . 1 1 34 34 SER C C 13 176.6 0.3 . 1 . . . . . 22 S C . 27244 1 66 . 1 1 34 34 SER CA C 13 62.71 0.3 . 1 . . . . . 22 S CA . 27244 1 67 . 1 1 34 34 SER CB C 13 61.48 0.3 . 1 . . . . . 22 S CB . 27244 1 68 . 1 1 34 34 SER N N 15 118.189 0.5 . 1 . . . . . 22 S N . 27244 1 69 . 1 1 35 35 ALA C C 13 179.232 0.3 . 1 . . . . . 23 A C . 27244 1 70 . 1 1 35 35 ALA CA C 13 54.779 0.3 . 1 . . . . . 23 A CA . 27244 1 71 . 1 1 35 35 ALA CB C 13 18.427 0.3 . 1 . . . . . 23 A CB . 27244 1 72 . 1 1 35 35 ALA N N 15 125.725 0.5 . 1 . . . . . 23 A N . 27244 1 73 . 1 1 36 36 VAL C C 13 177.782 0.3 . 1 . . . . . 24 V C . 27244 1 74 . 1 1 36 36 VAL CA C 13 65.333 0.3 . 1 . . . . . 24 V CA . 27244 1 75 . 1 1 36 36 VAL CB C 13 33.695 0.3 . 1 . . . . . 24 V CB . 27244 1 76 . 1 1 36 36 VAL CG1 C 13 22.547 0.3 . 2 . . . . . 24 V CG1 . 27244 1 77 . 1 1 36 36 VAL CG2 C 13 21.029 0.3 . 2 . . . . . 24 V CG2 . 27244 1 78 . 1 1 36 36 VAL N N 15 117.517 0.5 . 1 . . . . . 24 V N . 27244 1 79 . 1 1 37 37 LEU C C 13 178.948 0.3 . 1 . . . . . 25 L C . 27244 1 80 . 1 1 37 37 LEU CA C 13 56.004 0.3 . 1 . . . . . 25 L CA . 27244 1 81 . 1 1 37 37 LEU CB C 13 41.535 0.3 . 1 . . . . . 25 L CB . 27244 1 82 . 1 1 37 37 LEU CG C 13 26.87 0.3 . 1 . . . . . 25 L CG . 27244 1 83 . 1 1 37 37 LEU CD1 C 13 24.392 0.3 . 2 . . . . . 25 L CD1 . 27244 1 84 . 1 1 37 37 LEU CD2 C 13 22.294 0.3 . 2 . . . . . 25 L CD2 . 27244 1 85 . 1 1 37 37 LEU N N 15 114.371 0.5 . 1 . . . . . 25 L N . 27244 1 86 . 1 1 38 38 ALA C C 13 180.453 0.3 . 1 . . . . . 26 A C . 27244 1 87 . 1 1 38 38 ALA CA C 13 53.213 0.3 . 1 . . . . . 26 A CA . 27244 1 88 . 1 1 38 38 ALA CB C 13 24.215 0.3 . 1 . . . . . 26 A CB . 27244 1 89 . 1 1 38 38 ALA N N 15 117.356 0.5 . 1 . . . . . 26 A N . 27244 1 90 . 1 1 39 39 ALA C C 13 178.589 0.3 . 1 . . . . . 27 A C . 27244 1 91 . 1 1 39 39 ALA CA C 13 55.942 0.3 . 1 . . . . . 27 A CA . 27244 1 92 . 1 1 39 39 ALA CB C 13 19.514 0.3 . 1 . . . . . 27 A CB . 27244 1 93 . 1 1 39 39 ALA N N 15 125.26 0.5 . 1 . . . . . 27 A N . 27244 1 94 . 1 1 40 40 GLY C C 13 173.774 0.3 . 1 . . . . . 28 G C . 27244 1 95 . 1 1 40 40 GLY CA C 13 44.146 0.3 . 1 . . . . . 28 G CA . 27244 1 96 . 1 1 40 40 GLY N N 15 102.251 0.5 . 1 . . . . . 28 G N . 27244 1 97 . 1 1 41 41 PHE C C 13 174.354 0.3 . 1 . . . . . 29 F C . 27244 1 98 . 1 1 41 41 PHE CA C 13 57.195 0.3 . 1 . . . . . 29 F CA . 27244 1 99 . 1 1 41 41 PHE CB C 13 40.054 0.3 . 1 . . . . . 29 F CB . 27244 1 100 . 1 1 41 41 PHE N N 15 124.073 0.5 . 1 . . . . . 29 F N . 27244 1 101 . 1 1 42 42 PRO C C 13 179.192 0.3 . 1 . . . . . 30 P C . 27244 1 102 . 1 1 42 42 PRO CA C 13 64.32 0.3 . 1 . . . . . 30 P CA . 27244 1 103 . 1 1 42 42 PRO CB C 13 32.184 0.3 . 1 . . . . . 30 P CB . 27244 1 104 . 1 1 42 42 PRO CG C 13 27.955 0.3 . 1 . . . . . 30 P CG . 27244 1 105 . 1 1 42 42 PRO CD C 13 50.183 0.3 . 1 . . . . . 30 P CD . 27244 1 106 . 1 1 42 42 PRO N N 15 145.024 0.5 . 1 . . . . . 30 P N . 27244 1 107 . 1 1 43 43 GLU C C 13 178.442 0.3 . 1 . . . . . 31 E C . 27244 1 108 . 1 1 43 43 GLU CA C 13 61.806 0.3 . 1 . . . . . 31 E CA . 27244 1 109 . 1 1 43 43 GLU CB C 13 31.41 0.3 . 1 . . . . . 31 E CB . 27244 1 110 . 1 1 43 43 GLU CG C 13 35.839 0.3 . 1 . . . . . 31 E CG . 27244 1 111 . 1 1 43 43 GLU N N 15 118.262 0.5 . 1 . . . . . 31 E N . 27244 1 112 . 1 1 44 44 LEU C C 13 176.987 0.3 . 1 . . . . . 32 L C . 27244 1 113 . 1 1 44 44 LEU CA C 13 54.097 0.3 . 1 . . . . . 32 L CA . 27244 1 114 . 1 1 44 44 LEU CB C 13 42.147 0.3 . 1 . . . . . 32 L CB . 27244 1 115 . 1 1 44 44 LEU CG C 13 27.314 0.3 . 1 . . . . . 32 L CG . 27244 1 116 . 1 1 44 44 LEU CD1 C 13 23.986 0.3 . 2 . . . . . 32 L CD1 . 27244 1 117 . 1 1 44 44 LEU CD2 C 13 22.101 0.3 . 2 . . . . . 32 L CD2 . 27244 1 118 . 1 1 44 44 LEU N N 15 121.06 0.5 . 1 . . . . . 32 L N . 27244 1 119 . 1 1 45 45 GLY C C 13 174.428 0.3 . 1 . . . . . 33 G C . 27244 1 120 . 1 1 45 45 GLY CA C 13 46.819 0.3 . 1 . . . . . 33 G CA . 27244 1 121 . 1 1 45 45 GLY N N 15 103.691 0.5 . 1 . . . . . 33 G N . 27244 1 122 . 1 1 46 46 ILE C C 13 177.032 0.3 . 1 . . . . . 34 I C . 27244 1 123 . 1 1 46 46 ILE CA C 13 63.141 0.3 . 1 . . . . . 34 I CA . 27244 1 124 . 1 1 46 46 ILE CB C 13 38.93 0.3 . 1 . . . . . 34 I CB . 27244 1 125 . 1 1 46 46 ILE CG1 C 13 26.536 0.3 . 1 . . . . . 34 I CG1 . 27244 1 126 . 1 1 46 46 ILE CG2 C 13 18.284 0.3 . 1 . . . . . 34 I CG2 . 27244 1 127 . 1 1 46 46 ILE CD1 C 13 14.838 0.3 . 1 . . . . . 34 I CD1 . 27244 1 128 . 1 1 46 46 ILE N N 15 110.02 0.5 . 1 . . . . . 34 I N . 27244 1 129 . 1 1 47 47 GLY C C 13 172.512 0.3 . 1 . . . . . 35 G C . 27244 1 130 . 1 1 47 47 GLY CA C 13 44.974 0.3 . 1 . . . . . 35 G CA . 27244 1 131 . 1 1 47 47 GLY N N 15 109.076 0.5 . 1 . . . . . 35 G N . 27244 1 132 . 1 1 48 48 PHE C C 13 179.519 0.3 . 1 . . . . . 36 F C . 27244 1 133 . 1 1 48 48 PHE CA C 13 56.339 0.3 . 1 . . . . . 36 F CA . 27244 1 134 . 1 1 48 48 PHE CB C 13 37.814 0.3 . 1 . . . . . 36 F CB . 27244 1 135 . 1 1 48 48 PHE N N 15 117.083 0.5 . 1 . . . . . 36 F N . 27244 1 136 . 1 1 52 52 ALA C C 13 176.389 0.3 . 1 . . . . . 40 A C . 27244 1 137 . 1 1 52 52 ALA CA C 13 55.122 0.3 . 1 . . . . . 40 A CA . 27244 1 138 . 1 1 52 52 ALA CB C 13 18.124 0.3 . 1 . . . . . 40 A CB . 27244 1 139 . 1 1 52 52 ALA N N 15 117.071 0.5 . 1 . . . . . 40 A N . 27244 1 140 . 1 1 53 53 LEU C C 13 176.891 0.3 . 1 . . . . . 41 L C . 27244 1 141 . 1 1 53 53 LEU CA C 13 57.578 0.3 . 1 . . . . . 41 L CA . 27244 1 142 . 1 1 53 53 LEU CB C 13 40.916 0.3 . 1 . . . . . 41 L CB . 27244 1 143 . 1 1 53 53 LEU CG C 13 26.264 0.3 . 1 . . . . . 41 L CG . 27244 1 144 . 1 1 53 53 LEU CD1 C 13 24.351 0.3 . 2 . . . . . 41 L CD1 . 27244 1 145 . 1 1 53 53 LEU CD2 C 13 22.405 0.3 . 2 . . . . . 41 L CD2 . 27244 1 146 . 1 1 53 53 LEU N N 15 120.795 0.5 . 1 . . . . . 41 L N . 27244 1 147 . 1 1 54 54 ALA C C 13 179.611 0.3 . 1 . . . . . 42 A C . 27244 1 148 . 1 1 54 54 ALA CA C 13 55.921 0.3 . 1 . . . . . 42 A CA . 27244 1 149 . 1 1 54 54 ALA CB C 13 18.262 0.3 . 1 . . . . . 42 A CB . 27244 1 150 . 1 1 54 54 ALA N N 15 121.607 0.5 . 1 . . . . . 42 A N . 27244 1 151 . 1 1 55 55 PHE C C 13 179.442 0.3 . 1 . . . . . 43 F C . 27244 1 152 . 1 1 55 55 PHE CA C 13 64.111 0.3 . 1 . . . . . 43 F CA . 27244 1 153 . 1 1 55 55 PHE CB C 13 39.413 0.3 . 1 . . . . . 43 F CB . 27244 1 154 . 1 1 55 55 PHE N N 15 112.94 0.5 . 1 . . . . . 43 F N . 27244 1 155 . 1 1 56 56 GLY C C 13 176.803 0.3 . 1 . . . . . 44 G C . 27244 1 156 . 1 1 56 56 GLY CA C 13 48.322 0.3 . 1 . . . . . 44 G CA . 27244 1 157 . 1 1 56 56 GLY N N 15 104.843 0.5 . 1 . . . . . 44 G N . 27244 1 158 . 1 1 57 57 LEU C C 13 181.847 0.3 . 1 . . . . . 45 L C . 27244 1 159 . 1 1 57 57 LEU CA C 13 57.386 0.3 . 1 . . . . . 45 L CA . 27244 1 160 . 1 1 57 57 LEU CB C 13 40.382 0.3 . 1 . . . . . 45 L CB . 27244 1 161 . 1 1 57 57 LEU CG C 13 26.414 0.3 . 1 . . . . . 45 L CG . 27244 1 162 . 1 1 57 57 LEU CD1 C 13 25.132 0.3 . 2 . . . . . 45 L CD1 . 27244 1 163 . 1 1 57 57 LEU CD2 C 13 23.128 0.3 . 2 . . . . . 45 L CD2 . 27244 1 164 . 1 1 57 57 LEU N N 15 117.319 0.5 . 1 . . . . . 45 L N . 27244 1 165 . 1 1 58 58 THR C C 13 175.879 0.3 . 1 . . . . . 46 T C . 27244 1 166 . 1 1 58 58 THR CA C 13 65.87 0.3 . 1 . . . . . 46 T CA . 27244 1 167 . 1 1 58 58 THR CB C 13 68.066 0.3 . 1 . . . . . 46 T CB . 27244 1 168 . 1 1 58 58 THR CG2 C 13 24 0.3 . 1 . . . . . 46 T CG . 27244 1 169 . 1 1 58 58 THR N N 15 117.291 0.5 . 1 . . . . . 46 T N . 27244 1 170 . 1 1 59 59 VAL C C 13 176.532 0.3 . 1 . . . . . 47 V C . 27244 1 171 . 1 1 59 59 VAL CA C 13 66.041 0.3 . 1 . . . . . 47 V CA . 27244 1 172 . 1 1 59 59 VAL CB C 13 32.955 0.3 . 1 . . . . . 47 V CB . 27244 1 173 . 1 1 59 59 VAL CG1 C 13 25.878 0.3 . 2 . . . . . 47 V CG1 . 27244 1 174 . 1 1 59 59 VAL CG2 C 13 22.036 0.3 . 2 . . . . . 47 V CG2 . 27244 1 175 . 1 1 59 59 VAL N N 15 123.315 0.5 . 1 . . . . . 47 V N . 27244 1 176 . 1 1 60 60 LEU C C 13 178.868 0.3 . 1 . . . . . 48 L C . 27244 1 177 . 1 1 60 60 LEU CA C 13 59.803 0.3 . 1 . . . . . 48 L CA . 27244 1 178 . 1 1 60 60 LEU CB C 13 45.362 0.3 . 1 . . . . . 48 L CB . 27244 1 179 . 1 1 60 60 LEU CG C 13 28.502 0.3 . 1 . . . . . 48 L CG . 27244 1 180 . 1 1 60 60 LEU CD1 C 13 27.539 0.3 . 2 . . . . . 48 L CD1 . 27244 1 181 . 1 1 60 60 LEU CD2 C 13 25.674 0.3 . 2 . . . . . 48 L CD2 . 27244 1 182 . 1 1 60 60 LEU N N 15 120.743 0.5 . 1 . . . . . 48 L N . 27244 1 183 . 1 1 61 61 THR C C 13 177.38 0.3 . 1 . . . . . 49 T C . 27244 1 184 . 1 1 61 61 THR CA C 13 65.719 0.3 . 1 . . . . . 49 T CA . 27244 1 185 . 1 1 61 61 THR CB C 13 69.728 0.3 . 1 . . . . . 49 T CB . 27244 1 186 . 1 1 61 61 THR CG2 C 13 24.025 0.3 . 1 . . . . . 49 T CG . 27244 1 187 . 1 1 61 61 THR N N 15 105.68 0.5 . 1 . . . . . 49 T N . 27244 1 188 . 1 1 62 62 MET C C 13 178.678 0.3 . 1 . . . . . 50 M C . 27244 1 189 . 1 1 62 62 MET CA C 13 56.666 0.3 . 1 . . . . . 50 M CA . 27244 1 190 . 1 1 62 62 MET CB C 13 31.544 0.3 . 1 . . . . . 50 M CB . 27244 1 191 . 1 1 62 62 MET CG C 13 31.609 0.3 . 1 . . . . . 50 M CG . 27244 1 192 . 1 1 62 62 MET CE C 13 19.69 0.3 . 1 . . . . . 50 M CE . 27244 1 193 . 1 1 62 62 MET N N 15 119.702 0.5 . 1 . . . . . 50 M N . 27244 1 194 . 1 1 63 63 ALA C C 13 181.471 0.3 . 1 . . . . . 51 A C . 27244 1 195 . 1 1 63 63 ALA CA C 13 55.897 0.3 . 1 . . . . . 51 A CA . 27244 1 196 . 1 1 63 63 ALA CB C 13 16.57 0.3 . 1 . . . . . 51 A CB . 27244 1 197 . 1 1 63 63 ALA N N 15 124.569 0.5 . 1 . . . . . 51 A N . 27244 1 198 . 1 1 64 64 PHE C C 13 177.322 0.3 . 1 . . . . . 52 F C . 27244 1 199 . 1 1 64 64 PHE CA C 13 63.114 0.3 . 1 . . . . . 52 F CA . 27244 1 200 . 1 1 64 64 PHE CB C 13 39.962 0.3 . 1 . . . . . 52 F CB . 27244 1 201 . 1 1 64 64 PHE N N 15 116.411 0.5 . 1 . . . . . 52 F N . 27244 1 202 . 1 1 65 65 ALA C C 13 177.364 0.3 . 1 . . . . . 53 A C . 27244 1 203 . 1 1 65 65 ALA CA C 13 54.872 0.3 . 1 . . . . . 53 A CA . 27244 1 204 . 1 1 65 65 ALA CB C 13 22.51 0.3 . 1 . . . . . 53 A CB . 27244 1 205 . 1 1 65 65 ALA N N 15 118.353 0.5 . 1 . . . . . 53 A N . 27244 1 206 . 1 1 66 66 VAL C C 13 178.822 0.3 . 1 . . . . . 54 V C . 27244 1 207 . 1 1 66 66 VAL CA C 13 59.035 0.3 . 1 . . . . . 54 V CA . 27244 1 208 . 1 1 66 66 VAL CB C 13 33.859 0.3 . 1 . . . . . 54 V CB . 27244 1 209 . 1 1 66 66 VAL CG1 C 13 19.637 0.3 . 2 . . . . . 54 V CG1 . 27244 1 210 . 1 1 66 66 VAL CG2 C 13 19.7 0.3 . 2 . . . . . 54 V CG2 . 27244 1 211 . 1 1 66 66 VAL N N 15 100.393 0.5 . 1 . . . . . 54 V N . 27244 1 212 . 1 1 67 67 GLY C C 13 176.323 0.3 . 1 . . . . . 55 G C . 27244 1 213 . 1 1 67 67 GLY CA C 13 47.38 0.3 . 1 . . . . . 55 G CA . 27244 1 214 . 1 1 67 67 GLY N N 15 116.243 0.5 . 1 . . . . . 55 G N . 27244 1 215 . 1 1 68 68 HIS C C 13 175.132 0.3 . 1 . . . . . 56 H C . 27244 1 216 . 1 1 68 68 HIS CA C 13 56.94 0.3 . 1 . . . . . 56 H CA . 27244 1 217 . 1 1 68 68 HIS CB C 13 32.23 0.3 . 1 . . . . . 56 H CB . 27244 1 218 . 1 1 68 68 HIS N N 15 116.6 0.5 . 1 . . . . . 56 H N . 27244 1 219 . 1 1 68 68 HIS ND1 N 15 164.047 0.5 . 1 . . . . . 56 H ND1 . 27244 1 220 . 1 1 69 69 ILE C C 13 176.876 0.3 . 1 . . . . . 57 I C . 27244 1 221 . 1 1 69 69 ILE CA C 13 63.228 0.3 . 1 . . . . . 57 I CA . 27244 1 222 . 1 1 69 69 ILE CB C 13 38.273 0.3 . 1 . . . . . 57 I CB . 27244 1 223 . 1 1 69 69 ILE CG1 C 13 27.268 0.3 . 1 . . . . . 57 I CG1 . 27244 1 224 . 1 1 69 69 ILE CG2 C 13 17.59 0.3 . 1 . . . . . 57 I CG2 . 27244 1 225 . 1 1 69 69 ILE CD1 C 13 14.496 0.3 . 1 . . . . . 57 I CD1 . 27244 1 226 . 1 1 69 69 ILE N N 15 120.048 0.5 . 1 . . . . . 57 I N . 27244 1 227 . 1 1 70 70 SER C C 13 176.359 0.3 . 1 . . . . . 58 S C . 27244 1 228 . 1 1 70 70 SER CA C 13 58.47 0.3 . 1 . . . . . 58 S CA . 27244 1 229 . 1 1 70 70 SER CB C 13 66.944 0.3 . 1 . . . . . 58 S CB . 27244 1 230 . 1 1 70 70 SER N N 15 107.22 0.5 . 1 . . . . . 58 S N . 27244 1 231 . 1 1 71 71 GLY C C 13 174.822 0.3 . 1 . . . . . 59 G C . 27244 1 232 . 1 1 71 71 GLY CA C 13 45.128 0.3 . 1 . . . . . 59 G CA . 27244 1 233 . 1 1 71 71 GLY N N 15 114.895 0.5 . 1 . . . . . 59 G N . 27244 1 234 . 1 1 72 72 GLY C C 13 170.8 0.3 . 1 . . . . . 60 G C . 27244 1 235 . 1 1 72 72 GLY CA C 13 47.994 0.3 . 1 . . . . . 60 G CA . 27244 1 236 . 1 1 72 72 GLY N N 15 110.751 0.5 . 1 . . . . . 60 G N . 27244 1 237 . 1 1 73 73 HIS C C 13 175.882 0.3 . 1 . . . . . 61 H C . 27244 1 238 . 1 1 73 73 HIS CA C 13 56.937 0.3 . 1 . . . . . 61 H CA . 27244 1 239 . 1 1 73 73 HIS CB C 13 32.078 0.3 . 1 . . . . . 61 H CB . 27244 1 240 . 1 1 73 73 HIS CD2 C 13 112.769 0.3 . 1 . . . . . 61 H CD2 . 27244 1 241 . 1 1 73 73 HIS CE1 C 13 136.195 0.3 . 1 . . . . . 61 H CE1 . 27244 1 242 . 1 1 73 73 HIS N N 15 123.862 0.5 . 1 . . . . . 61 H N . 27244 1 243 . 1 1 74 74 PHE C C 13 176.588 0.3 . 1 . . . . . 62 F C . 27244 1 244 . 1 1 74 74 PHE CA C 13 54.813 0.3 . 1 . . . . . 62 F CA . 27244 1 245 . 1 1 74 74 PHE CB C 13 38.161 0.3 . 1 . . . . . 62 F CB . 27244 1 246 . 1 1 74 74 PHE N N 15 117.365 0.5 . 1 . . . . . 62 F N . 27244 1 247 . 1 1 75 75 ASN C C 13 174.904 0.3 . 1 . . . . . 63 N C . 27244 1 248 . 1 1 75 75 ASN CA C 13 51.427 0.3 . 1 . . . . . 63 N CA . 27244 1 249 . 1 1 75 75 ASN CB C 13 40.567 0.3 . 1 . . . . . 63 N CB . 27244 1 250 . 1 1 75 75 ASN CG C 13 178.159 0.3 . 1 . . . . . 63 N CG . 27244 1 251 . 1 1 75 75 ASN N N 15 119.564 0.5 . 1 . . . . . 63 N N . 27244 1 252 . 1 1 76 76 PRO C C 13 177.832 0.3 . 1 . . . . . 64 P C . 27244 1 253 . 1 1 76 76 PRO CA C 13 65.055 0.3 . 1 . . . . . 64 P CA . 27244 1 254 . 1 1 76 76 PRO CB C 13 33.801 0.3 . 1 . . . . . 64 P CB . 27244 1 255 . 1 1 76 76 PRO CG C 13 26.462 0.3 . 1 . . . . . 64 P CG . 27244 1 256 . 1 1 76 76 PRO CD C 13 51.899 0.3 . 1 . . . . . 64 P CD . 27244 1 257 . 1 1 76 76 PRO N N 15 138.329 0.5 . 1 . . . . . 64 P N . 27244 1 258 . 1 1 77 77 ALA C C 13 180.404 0.3 . 1 . . . . . 65 A C . 27244 1 259 . 1 1 77 77 ALA CA C 13 54.301 0.3 . 1 . . . . . 65 A CA . 27244 1 260 . 1 1 77 77 ALA CB C 13 17.731 0.3 . 1 . . . . . 65 A CB . 27244 1 261 . 1 1 77 77 ALA N N 15 113.998 0.5 . 1 . . . . . 65 A N . 27244 1 262 . 1 1 78 78 VAL C C 13 176.613 0.3 . 1 . . . . . 66 V C . 27244 1 263 . 1 1 78 78 VAL CA C 13 64.439 0.3 . 1 . . . . . 66 V CA . 27244 1 264 . 1 1 78 78 VAL CB C 13 32.194 0.3 . 1 . . . . . 66 V CB . 27244 1 265 . 1 1 78 78 VAL CG1 C 13 23.142 0.3 . 2 . . . . . 66 V CG1 . 27244 1 266 . 1 1 78 78 VAL CG2 C 13 21.271 0.3 . 2 . . . . . 66 V CG2 . 27244 1 267 . 1 1 78 78 VAL N N 15 118.603 0.5 . 1 . . . . . 66 V N . 27244 1 268 . 1 1 79 79 THR C C 13 176.364 0.3 . 1 . . . . . 67 T C . 27244 1 269 . 1 1 79 79 THR CA C 13 66.501 0.3 . 1 . . . . . 67 T CA . 27244 1 270 . 1 1 79 79 THR CB C 13 69.031 0.3 . 1 . . . . . 67 T CB . 27244 1 271 . 1 1 79 79 THR CG2 C 13 25.367 0.3 . 1 . . . . . 67 T CG . 27244 1 272 . 1 1 79 79 THR N N 15 117.569 0.5 . 1 . . . . . 67 T N . 27244 1 273 . 1 1 80 80 ILE C C 13 177.823 0.3 . 1 . . . . . 68 I C . 27244 1 274 . 1 1 80 80 ILE CA C 13 65.447 0.3 . 1 . . . . . 68 I CA . 27244 1 275 . 1 1 80 80 ILE CB C 13 38.035 0.3 . 1 . . . . . 68 I CB . 27244 1 276 . 1 1 80 80 ILE CG1 C 13 31.435 0.3 . 1 . . . . . 68 I CG1 . 27244 1 277 . 1 1 80 80 ILE CG2 C 13 18.288 0.3 . 1 . . . . . 68 I CG2 . 27244 1 278 . 1 1 80 80 ILE CD1 C 13 14.293 0.3 . 1 . . . . . 68 I CD . 27244 1 279 . 1 1 80 80 ILE N N 15 117.489 0.5 . 1 . . . . . 68 I N . 27244 1 280 . 1 1 81 81 GLY C C 13 175.777 0.3 . 1 . . . . . 69 G C . 27244 1 281 . 1 1 81 81 GLY CA C 13 47.773 0.3 . 1 . . . . . 69 G CA . 27244 1 282 . 1 1 81 81 GLY N N 15 110.686 0.5 . 1 . . . . . 69 G N . 27244 1 283 . 1 1 82 82 LEU C C 13 180.173 0.3 . 1 . . . . . 70 L C . 27244 1 284 . 1 1 82 82 LEU CA C 13 56.842 0.3 . 1 . . . . . 70 L CA . 27244 1 285 . 1 1 82 82 LEU CB C 13 42.407 0.3 . 1 . . . . . 70 L CB . 27244 1 286 . 1 1 82 82 LEU CG C 13 27.061 0.3 . 1 . . . . . 70 L CG . 27244 1 287 . 1 1 82 82 LEU CD1 C 13 25.797 0.3 . 2 . . . . . 70 L CD1 . 27244 1 288 . 1 1 82 82 LEU CD2 C 13 20.841 0.3 . 2 . . . . . 70 L CD2 . 27244 1 289 . 1 1 82 82 LEU N N 15 121.782 0.5 . 1 . . . . . 70 L N . 27244 1 290 . 1 1 83 83 TRP C C 13 179.791 0.3 . 1 . . . . . 71 W C . 27244 1 291 . 1 1 83 83 TRP CA C 13 60.536 0.3 . 1 . . . . . 71 W CA . 27244 1 292 . 1 1 83 83 TRP CB C 13 27.07 0.3 . 1 . . . . . 71 W CB . 27244 1 293 . 1 1 83 83 TRP N N 15 123.167 0.5 . 1 . . . . . 71 W N . 27244 1 294 . 1 1 84 84 ALA C C 13 177.861 0.3 . 1 . . . . . 72 A C . 27244 1 295 . 1 1 84 84 ALA CA C 13 54.679 0.3 . 1 . . . . . 72 A CA . 27244 1 296 . 1 1 84 84 ALA CB C 13 18.241 0.3 . 1 . . . . . 72 A CB . 27244 1 297 . 1 1 84 84 ALA N N 15 125.924 0.5 . 1 . . . . . 72 A N . 27244 1 298 . 1 1 85 85 GLY C C 13 175.429 0.3 . 1 . . . . . 73 G C . 27244 1 299 . 1 1 85 85 GLY CA C 13 45.169 0.3 . 1 . . . . . 73 G CA . 27244 1 300 . 1 1 85 85 GLY N N 15 102.575 0.5 . 1 . . . . . 73 G N . 27244 1 301 . 1 1 86 86 GLY C C 13 175.279 0.3 . 1 . . . . . 74 G C . 27244 1 302 . 1 1 86 86 GLY CA C 13 45.45 0.3 . 1 . . . . . 74 G CA . 27244 1 303 . 1 1 86 86 GLY N N 15 108.643 0.5 . 1 . . . . . 74 G N . 27244 1 304 . 1 1 87 87 ARG C C 13 177.605 0.3 . 1 . . . . . 75 R C . 27244 1 305 . 1 1 87 87 ARG CA C 13 54.222 0.3 . 1 . . . . . 75 R CA . 27244 1 306 . 1 1 87 87 ARG CB C 13 32.862 0.3 . 1 . . . . . 75 R CB . 27244 1 307 . 1 1 87 87 ARG CG C 13 25.859 0.3 . 1 . . . . . 75 R CG . 27244 1 308 . 1 1 87 87 ARG CD C 13 42.368 0.3 . 1 . . . . . 75 R CD . 27244 1 309 . 1 1 87 87 ARG N N 15 115.519 0.5 . 1 . . . . . 75 R N . 27244 1 310 . 1 1 88 88 PHE C C 13 172.609 0.3 . 1 . . . . . 76 F C . 27244 1 311 . 1 1 88 88 PHE CA C 13 55.204 0.3 . 1 . . . . . 76 F CA . 27244 1 312 . 1 1 88 88 PHE CB C 13 38.243 0.3 . 1 . . . . . 76 F CB . 27244 1 313 . 1 1 88 88 PHE N N 15 123.009 0.5 . 1 . . . . . 76 F N . 27244 1 314 . 1 1 89 89 PRO C C 13 177.287 0.3 . 1 . . . . . 77 P C . 27244 1 315 . 1 1 89 89 PRO CA C 13 62.301 0.3 . 1 . . . . . 77 P CA . 27244 1 316 . 1 1 89 89 PRO CB C 13 32.462 0.3 . 1 . . . . . 77 P CB . 27244 1 317 . 1 1 89 89 PRO CG C 13 27.276 0.3 . 1 . . . . . 77 P CG . 27244 1 318 . 1 1 89 89 PRO CD C 13 50.819 0.3 . 1 . . . . . 77 P CD . 27244 1 319 . 1 1 89 89 PRO N N 15 142.447 0.5 . 1 . . . . . 77 P N . 27244 1 320 . 1 1 90 90 ALA C C 13 180.681 0.3 . 1 . . . . . 78 A C . 27244 1 321 . 1 1 90 90 ALA CA C 13 54.717 0.3 . 1 . . . . . 78 A CA . 27244 1 322 . 1 1 90 90 ALA CB C 13 18.931 0.3 . 1 . . . . . 78 A CB . 27244 1 323 . 1 1 90 90 ALA N N 15 126.717 0.5 . 1 . . . . . 78 A N . 27244 1 324 . 1 1 91 91 LYS C C 13 176.936 0.3 . 1 . . . . . 79 K C . 27244 1 325 . 1 1 91 91 LYS CA C 13 58.468 0.3 . 1 . . . . . 79 K CA . 27244 1 326 . 1 1 91 91 LYS CB C 13 32.078 0.3 . 1 . . . . . 79 K CB . 27244 1 327 . 1 1 91 91 LYS N N 15 112.463 0.5 . 1 . . . . . 79 K N . 27244 1 328 . 1 1 92 92 GLU C C 13 176.649 0.3 . 1 . . . . . 80 E C . 27244 1 329 . 1 1 92 92 GLU CA C 13 56.7 0.3 . 1 . . . . . 80 E CA . 27244 1 330 . 1 1 92 92 GLU CB C 13 30.4 0.3 . 1 . . . . . 80 E CB . 27244 1 331 . 1 1 92 92 GLU CG C 13 37.135 0.3 . 1 . . . . . 80 E CG . 27244 1 332 . 1 1 92 92 GLU CD C 13 179.661 0.3 . 1 . . . . . 80 E CD . 27244 1 333 . 1 1 92 92 GLU N N 15 117.031 0.5 . 1 . . . . . 80 E N . 27244 1 334 . 1 1 93 93 VAL C C 13 177.413 0.3 . 1 . . . . . 81 V C . 27244 1 335 . 1 1 93 93 VAL CA C 13 66.518 0.3 . 1 . . . . . 81 V CA . 27244 1 336 . 1 1 93 93 VAL CB C 13 31.953 0.3 . 1 . . . . . 81 V CB . 27244 1 337 . 1 1 93 93 VAL CG1 C 13 22.525 0.3 . 2 . . . . . 81 V CG1 . 27244 1 338 . 1 1 93 93 VAL CG2 C 13 20.995 0.3 . 2 . . . . . 81 V CG2 . 27244 1 339 . 1 1 93 93 VAL N N 15 119.479 0.5 . 1 . . . . . 81 V N . 27244 1 340 . 1 1 94 94 VAL C C 13 176.587 0.3 . 1 . . . . . 82 V C . 27244 1 341 . 1 1 94 94 VAL CA C 13 67.26 0.3 . 1 . . . . . 82 V CA . 27244 1 342 . 1 1 94 94 VAL CB C 13 31.623 0.3 . 1 . . . . . 82 V CB . 27244 1 343 . 1 1 94 94 VAL CG1 C 13 23.81 0.3 . 2 . . . . . 82 V CG1 . 27244 1 344 . 1 1 94 94 VAL CG2 C 13 21.46 0.3 . 2 . . . . . 82 V CG2 . 27244 1 345 . 1 1 94 94 VAL N N 15 118.594 0.5 . 1 . . . . . 82 V N . 27244 1 346 . 1 1 95 95 GLY C C 13 175.188 0.3 . 1 . . . . . 83 G C . 27244 1 347 . 1 1 95 95 GLY CA C 13 47.902 0.3 . 1 . . . . . 83 G CA . 27244 1 348 . 1 1 95 95 GLY N N 15 105.524 0.5 . 1 . . . . . 83 G N . 27244 1 349 . 1 1 96 96 TYR C C 13 179.195 0.3 . 1 . . . . . 84 Y C . 27244 1 350 . 1 1 96 96 TYR CA C 13 62.944 0.3 . 1 . . . . . 84 Y CA . 27244 1 351 . 1 1 96 96 TYR CB C 13 38.448 0.3 . 1 . . . . . 84 Y CB . 27244 1 352 . 1 1 96 96 TYR N N 15 123.014 0.5 . 1 . . . . . 84 Y N . 27244 1 353 . 1 1 97 97 VAL C C 13 179.053 0.3 . 1 . . . . . 85 V C . 27244 1 354 . 1 1 97 97 VAL CA C 13 65.806 0.3 . 1 . . . . . 85 V CA . 27244 1 355 . 1 1 97 97 VAL CB C 13 31.583 0.3 . 1 . . . . . 85 V CB . 27244 1 356 . 1 1 97 97 VAL CG1 C 13 23.517 0.3 . 2 . . . . . 85 V CG1 . 27244 1 357 . 1 1 97 97 VAL CG2 C 13 21.625 0.3 . 2 . . . . . 85 V CG2 . 27244 1 358 . 1 1 97 97 VAL N N 15 117.862 0.5 . 1 . . . . . 85 V N . 27244 1 359 . 1 1 98 98 ILE C C 13 180.193 0.3 . 1 . . . . . 86 I C . 27244 1 360 . 1 1 98 98 ILE CA C 13 64.705 0.3 . 1 . . . . . 86 I CA . 27244 1 361 . 1 1 98 98 ILE CB C 13 39.056 0.3 . 1 . . . . . 86 I CB . 27244 1 362 . 1 1 98 98 ILE CG1 C 13 29.498 0.3 . 1 . . . . . 86 I CG1 . 27244 1 363 . 1 1 98 98 ILE CG2 C 13 17.895 0.3 . 1 . . . . . 86 I CG2 . 27244 1 364 . 1 1 98 98 ILE CD1 C 13 16.252 0.3 . 1 . . . . . 86 I CD1 . 27244 1 365 . 1 1 98 98 ILE N N 15 119.178 0.5 . 1 . . . . . 86 I N . 27244 1 366 . 1 1 99 99 ALA C C 13 180.317 0.3 . 1 . . . . . 87 A C . 27244 1 367 . 1 1 99 99 ALA CA C 13 56.114 0.3 . 1 . . . . . 87 A CA . 27244 1 368 . 1 1 99 99 ALA CB C 13 19.638 0.3 . 1 . . . . . 87 A CB . 27244 1 369 . 1 1 99 99 ALA N N 15 124.765 0.5 . 1 . . . . . 87 A N . 27244 1 370 . 1 1 100 100 GLN C C 13 179.1 0.3 . 1 . . . . . 88 Q C . 27244 1 371 . 1 1 100 100 GLN CA C 13 58.437 0.3 . 1 . . . . . 88 Q CA . 27244 1 372 . 1 1 100 100 GLN CB C 13 27.503 0.3 . 1 . . . . . 88 Q CB . 27244 1 373 . 1 1 100 100 GLN CG C 13 32.71 0.3 . 1 . . . . . 88 Q CG . 27244 1 374 . 1 1 100 100 GLN CD C 13 177.264 0.3 . 1 . . . . . 88 Q CD . 27244 1 375 . 1 1 100 100 GLN N N 15 116.979 0.5 . 1 . . . . . 88 Q N . 27244 1 376 . 1 1 101 101 VAL C C 13 179.208 0.3 . 1 . . . . . 89 V C . 27244 1 377 . 1 1 101 101 VAL CA C 13 66.994 0.3 . 1 . . . . . 89 V CA . 27244 1 378 . 1 1 101 101 VAL CB C 13 31.901 0.3 . 1 . . . . . 89 V CB . 27244 1 379 . 1 1 101 101 VAL CG1 C 13 23.851 0.3 . 2 . . . . . 89 V CG1 . 27244 1 380 . 1 1 101 101 VAL CG2 C 13 21.709 0.3 . 2 . . . . . 89 V CG2 . 27244 1 381 . 1 1 101 101 VAL N N 15 118.929 0.5 . 1 . . . . . 89 V N . 27244 1 382 . 1 1 102 102 VAL C C 13 177.692 0.3 . 1 . . . . . 90 V C . 27244 1 383 . 1 1 102 102 VAL CA C 13 67.262 0.3 . 1 . . . . . 90 V CA . 27244 1 384 . 1 1 102 102 VAL CB C 13 31.801 0.3 . 1 . . . . . 90 V CB . 27244 1 385 . 1 1 102 102 VAL CG1 C 13 23.972 0.3 . 2 . . . . . 90 V CG1 . 27244 1 386 . 1 1 102 102 VAL CG2 C 13 21.465 0.3 . 2 . . . . . 90 V CG2 . 27244 1 387 . 1 1 102 102 VAL N N 15 118.904 0.5 . 1 . . . . . 90 V N . 27244 1 388 . 1 1 103 103 GLY C C 13 176.424 0.3 . 1 . . . . . 91 G C . 27244 1 389 . 1 1 103 103 GLY CA C 13 49.071 0.3 . 1 . . . . . 91 G CA . 27244 1 390 . 1 1 103 103 GLY N N 15 106.515 0.5 . 1 . . . . . 91 G N . 27244 1 391 . 1 1 107 107 ALA C C 13 181.467 0.3 . 1 . . . . . 95 A C . 27244 1 392 . 1 1 107 107 ALA CA C 13 54.813 0.3 . 1 . . . . . 95 A CA . 27244 1 393 . 1 1 107 107 ALA CB C 13 19.336 0.3 . 1 . . . . . 95 A CB . 27244 1 394 . 1 1 107 107 ALA N N 15 121.142 0.5 . 1 . . . . . 95 A N . 27244 1 395 . 1 1 108 108 ALA C C 13 178.112 0.3 . 1 . . . . . 96 A C . 27244 1 396 . 1 1 108 108 ALA CA C 13 54.986 0.3 . 1 . . . . . 96 A CA . 27244 1 397 . 1 1 108 108 ALA CB C 13 19.892 0.3 . 1 . . . . . 96 A CB . 27244 1 398 . 1 1 108 108 ALA N N 15 120.973 0.5 . 1 . . . . . 96 A N . 27244 1 399 . 1 1 109 109 ALA C C 13 179.5 0.3 . 1 . . . . . 97 A C . 27244 1 400 . 1 1 109 109 ALA CA C 13 55.31 0.3 . 1 . . . . . 97 A CA . 27244 1 401 . 1 1 109 109 ALA CB C 13 20.039 0.3 . 1 . . . . . 97 A CB . 27244 1 402 . 1 1 109 109 ALA N N 15 120.614 0.5 . 1 . . . . . 97 A N . 27244 1 403 . 1 1 110 110 LEU C C 13 176.156 0.3 . 1 . . . . . 98 L C . 27244 1 404 . 1 1 110 110 LEU CA C 13 57.248 0.3 . 1 . . . . . 98 L CA . 27244 1 405 . 1 1 110 110 LEU CB C 13 40.937 0.3 . 1 . . . . . 98 L CB . 27244 1 406 . 1 1 110 110 LEU CG C 13 26.554 0.3 . 1 . . . . . 98 L CG . 27244 1 407 . 1 1 110 110 LEU N N 15 120.6 0.5 . 1 . . . . . 98 L N . 27244 1 408 . 1 1 111 111 LEU C C 13 176.351 0.3 . 1 . . . . . 99 L C . 27244 1 409 . 1 1 111 111 LEU CA C 13 57.715 0.3 . 1 . . . . . 99 L CA . 27244 1 410 . 1 1 111 111 LEU CB C 13 38.59 0.3 . 1 . . . . . 99 L CB . 27244 1 411 . 1 1 111 111 LEU CG C 13 27.472 0.3 . 1 . . . . . 99 L CG . 27244 1 412 . 1 1 111 111 LEU N N 15 115.225 0.5 . 1 . . . . . 99 L N . 27244 1 413 . 1 1 112 112 TYR C C 13 178.467 0.3 . 1 . . . . . 100 Y C . 27244 1 414 . 1 1 112 112 TYR CA C 13 57.59 0.3 . 1 . . . . . 100 Y CA . 27244 1 415 . 1 1 112 112 TYR CB C 13 37.715 0.3 . 1 . . . . . 100 Y CB . 27244 1 416 . 1 1 112 112 TYR N N 15 120.826 0.5 . 1 . . . . . 100 Y N . 27244 1 417 . 1 1 113 113 LEU C C 13 179.238 0.3 . 1 . . . . . 101 L C . 27244 1 418 . 1 1 113 113 LEU CA C 13 58.333 0.3 . 1 . . . . . 101 L CA . 27244 1 419 . 1 1 113 113 LEU CB C 13 43.279 0.3 . 1 . . . . . 101 L CB . 27244 1 420 . 1 1 113 113 LEU CG C 13 28.237 0.3 . 1 . . . . . 101 L CG . 27244 1 421 . 1 1 113 113 LEU CD1 C 13 25.432 0.3 . 2 . . . . . 101 L CD1 . 27244 1 422 . 1 1 113 113 LEU CD2 C 13 24.565 0.3 . 2 . . . . . 101 L CD2 . 27244 1 423 . 1 1 113 113 LEU N N 15 120.134 0.5 . 1 . . . . . 101 L N . 27244 1 424 . 1 1 114 114 ILE C C 13 179.561 0.3 . 1 . . . . . 102 I C . 27244 1 425 . 1 1 114 114 ILE CA C 13 64.597 0.3 . 1 . . . . . 102 I CA . 27244 1 426 . 1 1 114 114 ILE CB C 13 39.057 0.3 . 1 . . . . . 102 I CB . 27244 1 427 . 1 1 114 114 ILE CG1 C 13 31.543 0.3 . 1 . . . . . 102 I CG1 . 27244 1 428 . 1 1 114 114 ILE CG2 C 13 17.782 0.3 . 1 . . . . . 102 I CG2 . 27244 1 429 . 1 1 114 114 ILE CD1 C 13 16.15 0.3 . 1 . . . . . 102 I CD1 . 27244 1 430 . 1 1 114 114 ILE N N 15 119.007 0.5 . 1 . . . . . 102 I N . 27244 1 431 . 1 1 115 115 ALA C C 13 178.259 0.3 . 1 . . . . . 103 A C . 27244 1 432 . 1 1 115 115 ALA CA C 13 54.685 0.3 . 1 . . . . . 103 A CA . 27244 1 433 . 1 1 115 115 ALA CB C 13 16.656 0.3 . 1 . . . . . 103 A CB . 27244 1 434 . 1 1 115 115 ALA N N 15 124.532 0.5 . 1 . . . . . 103 A N . 27244 1 435 . 1 1 116 116 SER C C 13 173.825 0.3 . 1 . . . . . 104 S C . 27244 1 436 . 1 1 116 116 SER CA C 13 60.169 0.3 . 1 . . . . . 104 S CA . 27244 1 437 . 1 1 116 116 SER CB C 13 63.278 0.3 . 1 . . . . . 104 S CB . 27244 1 438 . 1 1 116 116 SER N N 15 109.48 0.5 . 1 . . . . . 104 S N . 27244 1 439 . 1 1 117 117 GLY C C 13 172.168 0.3 . 1 . . . . . 105 G C . 27244 1 440 . 1 1 117 117 GLY CA C 13 45.54 0.3 . 1 . . . . . 105 G CA . 27244 1 441 . 1 1 117 117 GLY N N 15 109.119 0.5 . 1 . . . . . 105 G N . 27244 1 442 . 1 1 118 118 LYS C C 13 175.512 0.3 . 1 . . . . . 106 K C . 27244 1 443 . 1 1 118 118 LYS CA C 13 54.206 0.3 . 1 . . . . . 106 K CA . 27244 1 444 . 1 1 118 118 LYS CB C 13 35.136 0.3 . 1 . . . . . 106 K CB . 27244 1 445 . 1 1 118 118 LYS CG C 13 24.139 0.3 . 1 . . . . . 106 K CG . 27244 1 446 . 1 1 118 118 LYS CD C 13 28.893 0.3 . 1 . . . . . 106 K CD . 27244 1 447 . 1 1 118 118 LYS CE C 13 42.395 0.3 . 1 . . . . . 106 K CE . 27244 1 448 . 1 1 118 118 LYS N N 15 122.004 0.5 . 1 . . . . . 106 K N . 27244 1 449 . 1 1 119 119 THR C C 13 175.944 0.3 . 1 . . . . . 107 T C . 27244 1 450 . 1 1 119 119 THR CA C 13 64.545 0.3 . 1 . . . . . 107 T CA . 27244 1 451 . 1 1 119 119 THR CB C 13 68.739 0.3 . 1 . . . . . 107 T CB . 27244 1 452 . 1 1 119 119 THR CG2 C 13 22.421 0.3 . 1 . . . . . 107 T CG . 27244 1 453 . 1 1 119 119 THR N N 15 123.068 0.5 . 1 . . . . . 107 T N . 27244 1 454 . 1 1 120 120 GLY C C 13 174.444 0.3 . 1 . . . . . 108 G C . 27244 1 455 . 1 1 120 120 GLY CA C 13 45.097 0.3 . 1 . . . . . 108 G CA . 27244 1 456 . 1 1 120 120 GLY N N 15 116.978 0.5 . 1 . . . . . 108 G N . 27244 1 457 . 1 1 121 121 PHE C C 13 174.99 0.3 . 1 . . . . . 109 F C . 27244 1 458 . 1 1 121 121 PHE CA C 13 59.055 0.3 . 1 . . . . . 109 F CA . 27244 1 459 . 1 1 121 121 PHE CB C 13 39.931 0.3 . 1 . . . . . 109 F CB . 27244 1 460 . 1 1 121 121 PHE N N 15 121.678 0.5 . 1 . . . . . 109 F N . 27244 1 461 . 1 1 122 122 ASP C C 13 176.132 0.3 . 1 . . . . . 110 D C . 27244 1 462 . 1 1 122 122 ASP CA C 13 52.571 0.3 . 1 . . . . . 110 D CA . 27244 1 463 . 1 1 122 122 ASP CB C 13 42.676 0.3 . 1 . . . . . 110 D CB . 27244 1 464 . 1 1 122 122 ASP CG C 13 180.991 0.3 . 1 . . . . . 110 D CG . 27244 1 465 . 1 1 122 122 ASP N N 15 129.626 0.5 . 1 . . . . . 110 D N . 27244 1 466 . 1 1 123 123 ALA C C 13 178.233 0.3 . 1 . . . . . 111 A C . 27244 1 467 . 1 1 123 123 ALA CA C 13 55.232 0.3 . 1 . . . . . 111 A CA . 27244 1 468 . 1 1 123 123 ALA CB C 13 19.43 0.3 . 1 . . . . . 111 A CB . 27244 1 469 . 1 1 123 123 ALA N N 15 131.16 0.5 . 1 . . . . . 111 A N . 27244 1 470 . 1 1 124 124 ALA C C 13 181.439 0.3 . 1 . . . . . 112 A C . 27244 1 471 . 1 1 124 124 ALA CA C 13 54.567 0.3 . 1 . . . . . 112 A CA . 27244 1 472 . 1 1 124 124 ALA CB C 13 19.4 0.3 . 1 . . . . . 112 A CB . 27244 1 473 . 1 1 124 124 ALA N N 15 117.786 0.5 . 1 . . . . . 112 A N . 27244 1 474 . 1 1 125 125 ALA C C 13 179.734 0.3 . 1 . . . . . 113 A C . 27244 1 475 . 1 1 125 125 ALA CA C 13 54.306 0.3 . 1 . . . . . 113 A CA . 27244 1 476 . 1 1 125 125 ALA CB C 13 19.177 0.3 . 1 . . . . . 113 A CB . 27244 1 477 . 1 1 125 125 ALA N N 15 121.228 0.5 . 1 . . . . . 113 A N . 27244 1 478 . 1 1 126 126 SER C C 13 176.645 0.3 . 1 . . . . . 114 S C . 27244 1 479 . 1 1 126 126 SER CA C 13 59.851 0.3 . 1 . . . . . 114 S CA . 27244 1 480 . 1 1 126 126 SER CB C 13 64.65 0.3 . 1 . . . . . 114 S CB . 27244 1 481 . 1 1 126 126 SER N N 15 109.228 0.5 . 1 . . . . . 114 S N . 27244 1 482 . 1 1 127 127 GLY C C 13 173.817 0.3 . 1 . . . . . 115 G C . 27244 1 483 . 1 1 127 127 GLY CA C 13 45.962 0.3 . 1 . . . . . 115 G CA . 27244 1 484 . 1 1 127 127 GLY N N 15 112.102 0.5 . 1 . . . . . 115 G N . 27244 1 485 . 1 1 128 128 PHE C C 13 172.597 0.3 . 1 . . . . . 116 F C . 27244 1 486 . 1 1 128 128 PHE CA C 13 57.508 0.3 . 1 . . . . . 116 F CA . 27244 1 487 . 1 1 128 128 PHE CB C 13 39.248 0.3 . 1 . . . . . 116 F CB . 27244 1 488 . 1 1 128 128 PHE N N 15 124.459 0.5 . 1 . . . . . 116 F N . 27244 1 489 . 1 1 129 129 ALA C C 13 178.035 0.3 . 1 . . . . . 117 A C . 27244 1 490 . 1 1 129 129 ALA CA C 13 52.169 0.3 . 1 . . . . . 117 A CA . 27244 1 491 . 1 1 129 129 ALA CB C 13 17.172 0.3 . 1 . . . . . 117 A CB . 27244 1 492 . 1 1 129 129 ALA N N 15 108.72 0.5 . 1 . . . . . 117 A N . 27244 1 493 . 1 1 130 130 SER C C 13 175.341 0.3 . 1 . . . . . 118 S C . 27244 1 494 . 1 1 130 130 SER CA C 13 61.144 0.3 . 1 . . . . . 118 S CA . 27244 1 495 . 1 1 130 130 SER CB C 13 64.758 0.3 . 1 . . . . . 118 S CB . 27244 1 496 . 1 1 130 130 SER N N 15 116.706 0.5 . 1 . . . . . 118 S N . 27244 1 497 . 1 1 131 131 ASN C C 13 172.067 0.3 . 1 . . . . . 119 N C . 27244 1 498 . 1 1 131 131 ASN CA C 13 54.664 0.3 . 1 . . . . . 119 N CA . 27244 1 499 . 1 1 131 131 ASN CB C 13 38.199 0.3 . 1 . . . . . 119 N CB . 27244 1 500 . 1 1 131 131 ASN CG C 13 177.292 0.3 . 1 . . . . . 119 N CG . 27244 1 501 . 1 1 131 131 ASN N N 15 122.909 0.5 . 1 . . . . . 119 N N . 27244 1 502 . 1 1 132 132 GLY C C 13 170.152 0.3 . 1 . . . . . 120 G C . 27244 1 503 . 1 1 132 132 GLY CA C 13 45.422 0.3 . 1 . . . . . 120 G CA . 27244 1 504 . 1 1 132 132 GLY N N 15 107.56 0.5 . 1 . . . . . 120 G N . 27244 1 505 . 1 1 133 133 TYR C C 13 177.273 0.3 . 1 . . . . . 121 Y C . 27244 1 506 . 1 1 133 133 TYR CA C 13 54.606 0.3 . 1 . . . . . 121 Y CA . 27244 1 507 . 1 1 133 133 TYR CB C 13 43.257 0.3 . 1 . . . . . 121 Y CB . 27244 1 508 . 1 1 133 133 TYR N N 15 111.666 0.5 . 1 . . . . . 121 Y N . 27244 1 509 . 1 1 134 134 GLY C C 13 176.62 0.3 . 1 . . . . . 122 G C . 27244 1 510 . 1 1 134 134 GLY CA C 13 46.946 0.3 . 1 . . . . . 122 G CA . 27244 1 511 . 1 1 134 134 GLY N N 15 113.61 0.5 . 1 . . . . . 122 G N . 27244 1 512 . 1 1 135 135 GLU C C 13 176.62 0.3 . 1 . . . . . 123 E C . 27244 1 513 . 1 1 135 135 GLU CA C 13 57.631 0.3 . 1 . . . . . 123 E CA . 27244 1 514 . 1 1 135 135 GLU CB C 13 29.221 0.3 . 1 . . . . . 123 E CB . 27244 1 515 . 1 1 135 135 GLU CG C 13 35.807 0.3 . 1 . . . . . 123 E CG . 27244 1 516 . 1 1 135 135 GLU N N 15 126.452 0.5 . 1 . . . . . 123 E N . 27244 1 517 . 1 1 136 136 HIS C C 13 173.558 0.3 . 1 . . . . . 124 H C . 27244 1 518 . 1 1 136 136 HIS CA C 13 52.849 0.3 . 1 . . . . . 124 H CA . 27244 1 519 . 1 1 136 136 HIS CB C 13 27.67 0.3 . 1 . . . . . 124 H CB . 27244 1 520 . 1 1 136 136 HIS CG C 13 131.136 0.3 . 1 . . . . . 124 H CG . 27244 1 521 . 1 1 136 136 HIS CD2 C 13 118.984 0.3 . 1 . . . . . 124 H CD2 . 27244 1 522 . 1 1 136 136 HIS CE1 C 13 132.972 0.3 . 1 . . . . . 124 H CE1 . 27244 1 523 . 1 1 136 136 HIS N N 15 112.84 0.5 . 1 . . . . . 124 H N . 27244 1 524 . 1 1 137 137 SER C C 13 176.129 0.3 . 1 . . . . . 125 S C . 27244 1 525 . 1 1 137 137 SER CA C 13 54.147 0.3 . 1 . . . . . 125 S CA . 27244 1 526 . 1 1 137 137 SER CB C 13 64.162 0.3 . 1 . . . . . 125 S CB . 27244 1 527 . 1 1 137 137 SER N N 15 121.555 0.5 . 1 . . . . . 125 S N . 27244 1 528 . 1 1 138 138 PRO C C 13 177.8 0.3 . 1 . . . . . 126 P C . 27244 1 529 . 1 1 138 138 PRO CA C 13 65.606 0.3 . 1 . . . . . 126 P CA . 27244 1 530 . 1 1 138 138 PRO CB C 13 31.958 0.3 . 1 . . . . . 126 P CB . 27244 1 531 . 1 1 138 138 PRO CG C 13 27.508 0.3 . 1 . . . . . 126 P CG . 27244 1 532 . 1 1 138 138 PRO CD C 13 50.445 0.3 . 1 . . . . . 126 P CD . 27244 1 533 . 1 1 138 138 PRO N N 15 144.155 0.5 . 1 . . . . . 126 P N . 27244 1 534 . 1 1 139 139 GLY C C 13 173.709 0.3 . 1 . . . . . 127 G C . 27244 1 535 . 1 1 139 139 GLY CA C 13 44.973 0.3 . 1 . . . . . 127 G CA . 27244 1 536 . 1 1 139 139 GLY N N 15 102.209 0.5 . 1 . . . . . 127 G N . 27244 1 537 . 1 1 140 140 GLY C C 13 175.111 0.3 . 1 . . . . . 128 G C . 27244 1 538 . 1 1 140 140 GLY CA C 13 46.344 0.3 . 1 . . . . . 128 G CA . 27244 1 539 . 1 1 140 140 GLY N N 15 108.473 0.5 . 1 . . . . . 128 G N . 27244 1 540 . 1 1 141 141 TYR C C 13 176.274 0.3 . 1 . . . . . 129 Y C . 27244 1 541 . 1 1 141 141 TYR CA C 13 59.537 0.3 . 1 . . . . . 129 Y CA . 27244 1 542 . 1 1 141 141 TYR CB C 13 40.72 0.3 . 1 . . . . . 129 Y CB . 27244 1 543 . 1 1 141 141 TYR CG C 13 123.196 0.3 . 1 . . . . . 129 Y CG . 27244 1 544 . 1 1 141 141 TYR CD1 C 13 128.865 0.3 . 1 . . . . . 129 Y CD . 27244 1 545 . 1 1 141 141 TYR CD2 C 13 128.865 0.3 . 1 . . . . . 129 Y CD . 27244 1 546 . 1 1 141 141 TYR CE1 C 13 117.059 0.3 . 1 . . . . . 129 Y CE . 27244 1 547 . 1 1 141 141 TYR CE2 C 13 117.059 0.3 . 1 . . . . . 129 Y CE . 27244 1 548 . 1 1 141 141 TYR N N 15 117.417 0.5 . 1 . . . . . 129 Y N . 27244 1 549 . 1 1 142 142 SER C C 13 174.525 0.3 . 1 . . . . . 130 S C . 27244 1 550 . 1 1 142 142 SER CA C 13 57.212 0.3 . 1 . . . . . 130 S CA . 27244 1 551 . 1 1 142 142 SER CB C 13 65.932 0.3 . 1 . . . . . 130 S CB . 27244 1 552 . 1 1 142 142 SER N N 15 114.966 0.5 . 1 . . . . . 130 S N . 27244 1 553 . 1 1 143 143 MET C C 13 177.882 0.3 . 1 . . . . . 131 M C . 27244 1 554 . 1 1 143 143 MET CA C 13 59.671 0.3 . 1 . . . . . 131 M CA . 27244 1 555 . 1 1 143 143 MET CB C 13 32.66 0.3 . 1 . . . . . 131 M CB . 27244 1 556 . 1 1 143 143 MET N N 15 120.6 0.5 . 1 . . . . . 131 M N . 27244 1 557 . 1 1 144 144 LEU C C 13 178.59 0.3 . 1 . . . . . 132 L C . 27244 1 558 . 1 1 144 144 LEU CA C 13 58.268 0.3 . 1 . . . . . 132 L CA . 27244 1 559 . 1 1 144 144 LEU CB C 13 41.129 0.3 . 1 . . . . . 132 L CB . 27244 1 560 . 1 1 144 144 LEU CG C 13 27.131 0.3 . 1 . . . . . 132 L CG . 27244 1 561 . 1 1 144 144 LEU CD1 C 13 23.621 0.3 . 2 . . . . . 132 L CD1 . 27244 1 562 . 1 1 144 144 LEU CD2 C 13 22.418 0.3 . 2 . . . . . 132 L CD2 . 27244 1 563 . 1 1 144 144 LEU N N 15 119.148 0.5 . 1 . . . . . 132 L N . 27244 1 564 . 1 1 145 145 SER C C 13 175.37 0.3 . 1 . . . . . 133 S C . 27244 1 565 . 1 1 145 145 SER CA C 13 64.396 0.3 . 1 . . . . . 133 S CA . 27244 1 566 . 1 1 145 145 SER CB C 13 62.645 0.3 . 1 . . . . . 133 S CB . 27244 1 567 . 1 1 145 145 SER N N 15 116.491 0.5 . 1 . . . . . 133 S N . 27244 1 568 . 1 1 146 146 ALA C C 13 177.844 0.3 . 1 . . . . . 134 A C . 27244 1 569 . 1 1 146 146 ALA CA C 13 54.525 0.3 . 1 . . . . . 134 A CA . 27244 1 570 . 1 1 146 146 ALA CB C 13 20.25 0.3 . 1 . . . . . 134 A CB . 27244 1 571 . 1 1 146 146 ALA N N 15 123.2 0.5 . 1 . . . . . 134 A N . 27244 1 572 . 1 1 147 147 LEU C C 13 177.732 0.3 . 1 . . . . . 135 L C . 27244 1 573 . 1 1 147 147 LEU CA C 13 58.461 0.3 . 1 . . . . . 135 L CA . 27244 1 574 . 1 1 147 147 LEU CB C 13 42.008 0.3 . 1 . . . . . 135 L CB . 27244 1 575 . 1 1 147 147 LEU CG C 13 27.502 0.3 . 1 . . . . . 135 L CG . 27244 1 576 . 1 1 147 147 LEU CD1 C 13 25.91 0.3 . 2 . . . . . 135 L CD1 . 27244 1 577 . 1 1 147 147 LEU CD2 C 13 23.078 0.3 . 2 . . . . . 135 L CD2 . 27244 1 578 . 1 1 147 147 LEU N N 15 119.13 0.5 . 1 . . . . . 135 L N . 27244 1 579 . 1 1 148 148 VAL C C 13 177.809 0.3 . 1 . . . . . 136 V C . 27244 1 580 . 1 1 148 148 VAL CA C 13 67.353 0.3 . 1 . . . . . 136 V CA . 27244 1 581 . 1 1 148 148 VAL CB C 13 31.598 0.3 . 1 . . . . . 136 V CB . 27244 1 582 . 1 1 148 148 VAL CG1 C 13 22.852 0.3 . 2 . . . . . 136 V CG1 . 27244 1 583 . 1 1 148 148 VAL CG2 C 13 21.064 0.3 . 2 . . . . . 136 V CG2 . 27244 1 584 . 1 1 148 148 VAL N N 15 115.81 0.5 . 1 . . . . . 136 V N . 27244 1 585 . 1 1 149 149 VAL C C 13 176.949 0.3 . 1 . . . . . 137 V C . 27244 1 586 . 1 1 149 149 VAL CA C 13 66.28 0.3 . 1 . . . . . 137 V CA . 27244 1 587 . 1 1 149 149 VAL CB C 13 31.484 0.3 . 1 . . . . . 137 V CB . 27244 1 588 . 1 1 149 149 VAL CG1 C 13 23.937 0.3 . 2 . . . . . 137 V CG1 . 27244 1 589 . 1 1 149 149 VAL CG2 C 13 21.485 0.3 . 2 . . . . . 137 V CG2 . 27244 1 590 . 1 1 149 149 VAL N N 15 118.8 0.5 . 1 . . . . . 137 V N . 27244 1 591 . 1 1 150 150 GLU C C 13 180.215 0.3 . 1 . . . . . 138 E C . 27244 1 592 . 1 1 150 150 GLU CA C 13 59.931 0.3 . 1 . . . . . 138 E CA . 27244 1 593 . 1 1 150 150 GLU CB C 13 29.145 0.3 . 1 . . . . . 138 E CB . 27244 1 594 . 1 1 150 150 GLU CG C 13 37.979 0.3 . 1 . . . . . 138 E CG . 27244 1 595 . 1 1 150 150 GLU N N 15 120.778 0.5 . 1 . . . . . 138 E N . 27244 1 596 . 1 1 151 151 LEU C C 13 178.33 0.3 . 1 . . . . . 139 L C . 27244 1 597 . 1 1 151 151 LEU CA C 13 58.867 0.3 . 1 . . . . . 139 L CA . 27244 1 598 . 1 1 151 151 LEU CB C 13 43.406 0.3 . 1 . . . . . 139 L CB . 27244 1 599 . 1 1 151 151 LEU N N 15 122.7 0.5 . 1 . . . . . 139 L N . 27244 1 600 . 1 1 152 152 VAL C C 13 178.493 0.3 . 1 . . . . . 140 V C . 27244 1 601 . 1 1 152 152 VAL CA C 13 66.218 0.3 . 1 . . . . . 140 V CA . 27244 1 602 . 1 1 152 152 VAL CB C 13 31.756 0.3 . 1 . . . . . 140 V CB . 27244 1 603 . 1 1 152 152 VAL N N 15 115.89 0.5 . 1 . . . . . 140 V N . 27244 1 604 . 1 1 153 153 LEU C C 13 179.094 0.3 . 1 . . . . . 141 L C . 27244 1 605 . 1 1 153 153 LEU CA C 13 57.538 0.3 . 1 . . . . . 141 L CA . 27244 1 606 . 1 1 153 153 LEU CB C 13 39.713 0.3 . 1 . . . . . 141 L CB . 27244 1 607 . 1 1 153 153 LEU CG C 13 28.081 0.3 . 1 . . . . . 141 L CG . 27244 1 608 . 1 1 153 153 LEU CD1 C 13 26.182 0.3 . 2 . . . . . 141 L CD1 . 27244 1 609 . 1 1 153 153 LEU CD2 C 13 22.483 0.3 . 2 . . . . . 141 L CD2 . 27244 1 610 . 1 1 153 153 LEU N N 15 114.75 0.5 . 1 . . . . . 141 L N . 27244 1 611 . 1 1 154 154 SER C C 13 175.867 0.3 . 1 . . . . . 142 S C . 27244 1 612 . 1 1 154 154 SER CA C 13 63.288 0.3 . 1 . . . . . 142 S CA . 27244 1 613 . 1 1 154 154 SER CB C 13 62.306 0.3 . 1 . . . . . 142 S CB . 27244 1 614 . 1 1 154 154 SER N N 15 117.09 0.5 . 1 . . . . . 142 S N . 27244 1 615 . 1 1 155 155 ALA C C 13 180.55 0.3 . 1 . . . . . 143 A C . 27244 1 616 . 1 1 155 155 ALA CA C 13 55.301 0.3 . 1 . . . . . 143 A CA . 27244 1 617 . 1 1 155 155 ALA CB C 13 18.168 0.3 . 1 . . . . . 143 A CB . 27244 1 618 . 1 1 155 155 ALA N N 15 123.659 0.5 . 1 . . . . . 143 A N . 27244 1 619 . 1 1 156 156 GLY C C 13 174.612 0.3 . 1 . . . . . 144 G C . 27244 1 620 . 1 1 156 156 GLY CA C 13 47.039 0.3 . 1 . . . . . 144 G CA . 27244 1 621 . 1 1 156 156 GLY N N 15 105.165 0.5 . 1 . . . . . 144 G N . 27244 1 622 . 1 1 157 157 PHE C C 13 177.434 0.3 . 1 . . . . . 145 F C . 27244 1 623 . 1 1 157 157 PHE CA C 13 58.273 0.3 . 1 . . . . . 145 F CA . 27244 1 624 . 1 1 157 157 PHE CB C 13 38.531 0.3 . 1 . . . . . 145 F CB . 27244 1 625 . 1 1 157 157 PHE N N 15 121.233 0.5 . 1 . . . . . 145 F N . 27244 1 626 . 1 1 158 158 LEU C C 13 181.077 0.3 . 1 . . . . . 146 L C . 27244 1 627 . 1 1 158 158 LEU CA C 13 53.7 0.3 . 1 . . . . . 146 L CA . 27244 1 628 . 1 1 158 158 LEU CB C 13 40.37 0.3 . 1 . . . . . 146 L CB . 27244 1 629 . 1 1 158 158 LEU CG C 13 28.177 0.3 . 1 . . . . . 146 L CG . 27244 1 630 . 1 1 158 158 LEU CD1 C 13 23.605 0.3 . 2 . . . . . 146 L CD1 . 27244 1 631 . 1 1 158 158 LEU CD2 C 13 20.598 0.3 . 2 . . . . . 146 L CD2 . 27244 1 632 . 1 1 158 158 LEU N N 15 119.133 0.5 . 1 . . . . . 146 L N . 27244 1 633 . 1 1 159 159 LEU C C 13 178.57 0.3 . 1 . . . . . 147 L C . 27244 1 634 . 1 1 159 159 LEU CA C 13 60.181 0.3 . 1 . . . . . 147 L CA . 27244 1 635 . 1 1 159 159 LEU CB C 13 42.24 0.3 . 1 . . . . . 147 L CB . 27244 1 636 . 1 1 159 159 LEU CG C 13 28.364 0.3 . 1 . . . . . 147 L CG . 27244 1 637 . 1 1 159 159 LEU CD1 C 13 26.061 0.3 . 2 . . . . . 147 L CD1 . 27244 1 638 . 1 1 159 159 LEU CD2 C 13 21.957 0.3 . 2 . . . . . 147 L CD2 . 27244 1 639 . 1 1 159 159 LEU N N 15 127.181 0.5 . 1 . . . . . 147 L N . 27244 1 640 . 1 1 160 160 VAL C C 13 177.389 0.3 . 1 . . . . . 148 V C . 27244 1 641 . 1 1 160 160 VAL CA C 13 65.61 0.3 . 1 . . . . . 148 V CA . 27244 1 642 . 1 1 160 160 VAL CB C 13 31.303 0.3 . 1 . . . . . 148 V CB . 27244 1 643 . 1 1 160 160 VAL CG1 C 13 22.387 0.3 . 2 . . . . . 148 V CG1 . 27244 1 644 . 1 1 160 160 VAL CG2 C 13 20.906 0.3 . 2 . . . . . 148 V CG2 . 27244 1 645 . 1 1 160 160 VAL N N 15 119.573 0.5 . 1 . . . . . 148 V N . 27244 1 646 . 1 1 161 161 ILE C C 13 178.969 0.3 . 1 . . . . . 149 I C . 27244 1 647 . 1 1 161 161 ILE CA C 13 65.712 0.3 . 1 . . . . . 149 I CA . 27244 1 648 . 1 1 161 161 ILE CB C 13 38.12 0.3 . 1 . . . . . 149 I CB . 27244 1 649 . 1 1 161 161 ILE CG1 C 13 29.489 0.3 . 1 . . . . . 149 I CG1 . 27244 1 650 . 1 1 161 161 ILE CG2 C 13 17.147 0.3 . 1 . . . . . 149 I CG2 . 27244 1 651 . 1 1 161 161 ILE CD1 C 13 14.036 0.3 . 1 . . . . . 149 I CD1 . 27244 1 652 . 1 1 161 161 ILE N N 15 118.597 0.5 . 1 . . . . . 149 I N . 27244 1 653 . 1 1 162 162 HIS C C 13 178.608 0.3 . 1 . . . . . 150 H C . 27244 1 654 . 1 1 162 162 HIS CA C 13 61.732 0.3 . 1 . . . . . 150 H CA . 27244 1 655 . 1 1 162 162 HIS CB C 13 28.651 0.3 . 1 . . . . . 150 H CB . 27244 1 656 . 1 1 162 162 HIS CG C 13 129.573 0.3 . 1 . . . . . 150 H CG . 27244 1 657 . 1 1 162 162 HIS CE1 C 13 137.694 0.3 . 1 . . . . . 150 H CE1 . 27244 1 658 . 1 1 162 162 HIS N N 15 118.396 0.5 . 1 . . . . . 150 H N . 27244 1 659 . 1 1 163 163 GLY C C 13 175.993 0.3 . 1 . . . . . 151 G C . 27244 1 660 . 1 1 163 163 GLY CA C 13 48.889 0.3 . 1 . . . . . 151 G CA . 27244 1 661 . 1 1 163 163 GLY N N 15 108.52 0.5 . 1 . . . . . 151 G N . 27244 1 662 . 1 1 164 164 ALA C C 13 177.99 0.3 . 1 . . . . . 152 A C . 27244 1 663 . 1 1 164 164 ALA CA C 13 53.481 0.3 . 1 . . . . . 152 A CA . 27244 1 664 . 1 1 164 164 ALA CB C 13 18.021 0.3 . 1 . . . . . 152 A CB . 27244 1 665 . 1 1 164 164 ALA N N 15 119.376 0.5 . 1 . . . . . 152 A N . 27244 1 666 . 1 1 165 165 THR C C 13 173.841 0.3 . 1 . . . . . 153 T C . 27244 1 667 . 1 1 165 165 THR CA C 13 60.327 0.3 . 1 . . . . . 153 T CA . 27244 1 668 . 1 1 165 165 THR CB C 13 69.094 0.3 . 1 . . . . . 153 T CB . 27244 1 669 . 1 1 165 165 THR CG2 C 13 21.561 0.3 . 1 . . . . . 153 T CG . 27244 1 670 . 1 1 165 165 THR N N 15 102.149 0.5 . 1 . . . . . 153 T N . 27244 1 671 . 1 1 166 166 ASP C C 13 177.104 0.3 . 1 . . . . . 154 D C . 27244 1 672 . 1 1 166 166 ASP CA C 13 54.279 0.3 . 1 . . . . . 154 D CA . 27244 1 673 . 1 1 166 166 ASP CB C 13 42.874 0.3 . 1 . . . . . 154 D CB . 27244 1 674 . 1 1 166 166 ASP CG C 13 180.069 0.3 . 1 . . . . . 154 D CG . 27244 1 675 . 1 1 166 166 ASP N N 15 126.78 0.5 . 1 . . . . . 154 D N . 27244 1 676 . 1 1 167 167 LYS C C 13 175.959 0.3 . 1 . . . . . 155 K C . 27244 1 677 . 1 1 167 167 LYS CA C 13 57.971 0.3 . 1 . . . . . 155 K CA . 27244 1 678 . 1 1 167 167 LYS CB C 13 29.17 0.3 . 1 . . . . . 155 K CB . 27244 1 679 . 1 1 167 167 LYS CD C 13 29.287 0.3 . 1 . . . . . 155 K CD . 27244 1 680 . 1 1 167 167 LYS N N 15 128.861 0.5 . 1 . . . . . 155 K N . 27244 1 681 . 1 1 168 168 PHE C C 13 175.705 0.3 . 1 . . . . . 156 F C . 27244 1 682 . 1 1 168 168 PHE CA C 13 63.799 0.3 . 1 . . . . . 156 F CA . 27244 1 683 . 1 1 168 168 PHE CB C 13 39.538 0.3 . 1 . . . . . 156 F CB . 27244 1 684 . 1 1 168 168 PHE N N 15 110.688 0.5 . 1 . . . . . 156 F N . 27244 1 685 . 1 1 169 169 ALA C C 13 176.405 0.3 . 1 . . . . . 157 A C . 27244 1 686 . 1 1 169 169 ALA CA C 13 50.943 0.3 . 1 . . . . . 157 A CA . 27244 1 687 . 1 1 169 169 ALA CB C 13 18.175 0.3 . 1 . . . . . 157 A CB . 27244 1 688 . 1 1 169 169 ALA N N 15 124.209 0.5 . 1 . . . . . 157 A N . 27244 1 689 . 1 1 170 170 PRO C C 13 177.524 0.3 . 1 . . . . . 158 P C . 27244 1 690 . 1 1 170 170 PRO CA C 13 65.933 0.3 . 1 . . . . . 158 P CA . 27244 1 691 . 1 1 170 170 PRO CB C 13 31.91 0.3 . 1 . . . . . 158 P CB . 27244 1 692 . 1 1 170 170 PRO CD C 13 50.576 0.3 . 1 . . . . . 158 P CD . 27244 1 693 . 1 1 170 170 PRO N N 15 145.739 0.5 . 1 . . . . . 158 P N . 27244 1 694 . 1 1 172 172 GLY C C 13 171.672 0.3 . 1 . . . . . 160 G C . 27244 1 695 . 1 1 172 172 GLY CA C 13 45.522 0.3 . 1 . . . . . 160 G CA . 27244 1 696 . 1 1 172 172 GLY N N 15 108.159 0.5 . 1 . . . . . 160 G N . 27244 1 697 . 1 1 173 173 PHE C C 13 177.972 0.3 . 1 . . . . . 161 F C . 27244 1 698 . 1 1 173 173 PHE CA C 13 59.166 0.3 . 1 . . . . . 161 F CA . 27244 1 699 . 1 1 173 173 PHE CB C 13 41.334 0.3 . 1 . . . . . 161 F CB . 27244 1 700 . 1 1 173 173 PHE N N 15 110.438 0.5 . 1 . . . . . 161 F N . 27244 1 701 . 1 1 174 174 ALA C C 13 175.019 0.3 . 1 . . . . . 162 A C . 27244 1 702 . 1 1 174 174 ALA CA C 13 56.931 0.3 . 1 . . . . . 162 A CA . 27244 1 703 . 1 1 174 174 ALA CB C 13 15.937 0.3 . 1 . . . . . 162 A CB . 27244 1 704 . 1 1 174 174 ALA N N 15 123.766 0.5 . 1 . . . . . 162 A N . 27244 1 705 . 1 1 175 175 PRO C C 13 179.518 0.3 . 1 . . . . . 163 P C . 27244 1 706 . 1 1 175 175 PRO CA C 13 66.111 0.3 . 1 . . . . . 163 P CA . 27244 1 707 . 1 1 175 175 PRO CB C 13 31.71 0.3 . 1 . . . . . 163 P CB . 27244 1 708 . 1 1 175 175 PRO CG C 13 28.98 0.3 . 1 . . . . . 163 P CG . 27244 1 709 . 1 1 175 175 PRO CD C 13 49.798 0.3 . 1 . . . . . 163 P CD . 27244 1 710 . 1 1 175 175 PRO N N 15 130.94 0.5 . 1 . . . . . 163 P N . 27244 1 711 . 1 1 176 176 ILE C C 13 176.689 0.3 . 1 . . . . . 164 I C . 27244 1 712 . 1 1 176 176 ILE CA C 13 64.088 0.3 . 1 . . . . . 164 I CA . 27244 1 713 . 1 1 176 176 ILE CB C 13 38.414 0.3 . 1 . . . . . 164 I CB . 27244 1 714 . 1 1 176 176 ILE CG1 C 13 29.715 0.3 . 1 . . . . . 164 I CG1 . 27244 1 715 . 1 1 176 176 ILE CG2 C 13 18.262 0.3 . 1 . . . . . 164 I CG2 . 27244 1 716 . 1 1 176 176 ILE CD1 C 13 14.876 0.3 . 1 . . . . . 164 I CD1 . 27244 1 717 . 1 1 176 176 ILE N N 15 112.203 0.5 . 1 . . . . . 164 I N . 27244 1 718 . 1 1 177 177 ALA C C 13 178.351 0.3 . 1 . . . . . 165 A C . 27244 1 719 . 1 1 177 177 ALA CA C 13 55.411 0.3 . 1 . . . . . 165 A CA . 27244 1 720 . 1 1 177 177 ALA CB C 13 18.557 0.3 . 1 . . . . . 165 A CB . 27244 1 721 . 1 1 177 177 ALA N N 15 120.681 0.5 . 1 . . . . . 165 A N . 27244 1 722 . 1 1 178 178 ILE C C 13 178.781 0.3 . 1 . . . . . 166 I C . 27244 1 723 . 1 1 178 178 ILE CA C 13 65.871 0.3 . 1 . . . . . 166 I CA . 27244 1 724 . 1 1 178 178 ILE CB C 13 39.278 0.3 . 1 . . . . . 166 I CB . 27244 1 725 . 1 1 178 178 ILE CG1 C 13 29.155 0.3 . 1 . . . . . 166 I CG1 . 27244 1 726 . 1 1 178 178 ILE CG2 C 13 17.272 0.3 . 1 . . . . . 166 I CG2 . 27244 1 727 . 1 1 178 178 ILE CD1 C 13 14.263 0.3 . 1 . . . . . 166 I CD1 . 27244 1 728 . 1 1 178 178 ILE N N 15 115.389 0.5 . 1 . . . . . 166 I N . 27244 1 729 . 1 1 179 179 GLY C C 13 176.146 0.3 . 1 . . . . . 167 G C . 27244 1 730 . 1 1 179 179 GLY CA C 13 48.513 0.3 . 1 . . . . . 167 G CA . 27244 1 731 . 1 1 179 179 GLY N N 15 105.706 0.5 . 1 . . . . . 167 G N . 27244 1 732 . 1 1 180 180 LEU C C 13 179.661 0.3 . 1 . . . . . 168 L C . 27244 1 733 . 1 1 180 180 LEU CA C 13 57.316 0.3 . 1 . . . . . 168 L CA . 27244 1 734 . 1 1 180 180 LEU CB C 13 38.627 0.3 . 1 . . . . . 168 L CB . 27244 1 735 . 1 1 180 180 LEU CG C 13 27.451 0.3 . 1 . . . . . 168 L CG . 27244 1 736 . 1 1 180 180 LEU N N 15 116.076 0.5 . 1 . . . . . 168 L N . 27244 1 737 . 1 1 181 181 ALA C C 13 178.902 0.3 . 1 . . . . . 169 A C . 27244 1 738 . 1 1 181 181 ALA CA C 13 55.82 0.3 . 1 . . . . . 169 A CA . 27244 1 739 . 1 1 181 181 ALA CB C 13 17.377 0.3 . 1 . . . . . 169 A CB . 27244 1 740 . 1 1 181 181 ALA N N 15 123.433 0.5 . 1 . . . . . 169 A N . 27244 1 741 . 1 1 182 182 LEU C C 13 181.544 0.3 . 1 . . . . . 170 L C . 27244 1 742 . 1 1 182 182 LEU CA C 13 57.384 0.3 . 1 . . . . . 170 L CA . 27244 1 743 . 1 1 182 182 LEU CB C 13 41.32 0.3 . 1 . . . . . 170 L CB . 27244 1 744 . 1 1 182 182 LEU N N 15 119.72 0.5 . 1 . . . . . 170 L N . 27244 1 745 . 1 1 183 183 THR C C 13 176.111 0.3 . 1 . . . . . 171 T C . 27244 1 746 . 1 1 183 183 THR CA C 13 67.522 0.3 . 1 . . . . . 171 T CA . 27244 1 747 . 1 1 183 183 THR CB C 13 68.757 0.3 . 1 . . . . . 171 T CB . 27244 1 748 . 1 1 183 183 THR CG2 C 13 22.42 0.3 . 1 . . . . . 171 T CG . 27244 1 749 . 1 1 183 183 THR N N 15 122.712 0.5 . 1 . . . . . 171 T N . 27244 1 750 . 1 1 184 184 LEU C C 13 176.287 0.3 . 1 . . . . . 172 L C . 27244 1 751 . 1 1 184 184 LEU CA C 13 58.276 0.3 . 1 . . . . . 172 L CA . 27244 1 752 . 1 1 184 184 LEU CB C 13 41.155 0.3 . 1 . . . . . 172 L CB . 27244 1 753 . 1 1 184 184 LEU CG C 13 22.423 0.3 . 1 . . . . . 172 L CG . 27244 1 754 . 1 1 184 184 LEU N N 15 123.524 0.5 . 1 . . . . . 172 L N . 27244 1 755 . 1 1 185 185 ILE C C 13 178.953 0.3 . 1 . . . . . 173 I C . 27244 1 756 . 1 1 185 185 ILE CA C 13 65.334 0.3 . 1 . . . . . 173 I CA . 27244 1 757 . 1 1 185 185 ILE CB C 13 38.779 0.3 . 1 . . . . . 173 I CB . 27244 1 758 . 1 1 185 185 ILE N N 15 117.661 0.5 . 1 . . . . . 173 I N . 27244 1 759 . 1 1 186 186 HIS C C 13 176.278 0.3 . 1 . . . . . 174 H C . 27244 1 760 . 1 1 186 186 HIS CA C 13 60.372 0.3 . 1 . . . . . 174 H CA . 27244 1 761 . 1 1 186 186 HIS CB C 13 30.233 0.3 . 1 . . . . . 174 H CB . 27244 1 762 . 1 1 186 186 HIS N N 15 120.309 0.5 . 1 . . . . . 174 H N . 27244 1 763 . 1 1 186 186 HIS ND1 N 15 162.881 0.5 . 1 . . . . . 174 H ND1 . 27244 1 764 . 1 1 187 187 LEU C C 13 176.065 0.3 . 1 . . . . . 175 L C . 27244 1 765 . 1 1 187 187 LEU CA C 13 57.599 0.3 . 1 . . . . . 175 L CA . 27244 1 766 . 1 1 187 187 LEU CB C 13 40.668 0.3 . 1 . . . . . 175 L CB . 27244 1 767 . 1 1 187 187 LEU CG C 13 26.01 0.3 . 1 . . . . . 175 L CG . 27244 1 768 . 1 1 187 187 LEU CD1 C 13 22.496 0.3 . 2 . . . . . 175 L CD1 . 27244 1 769 . 1 1 187 187 LEU N N 15 121.028 0.5 . 1 . . . . . 175 L N . 27244 1 770 . 1 1 188 188 ILE C C 13 175.463 0.3 . 1 . . . . . 176 I C . 27244 1 771 . 1 1 188 188 ILE CA C 13 63.503 0.3 . 1 . . . . . 176 I CA . 27244 1 772 . 1 1 188 188 ILE CB C 13 40.094 0.3 . 1 . . . . . 176 I CB . 27244 1 773 . 1 1 188 188 ILE CG1 C 13 26.188 0.3 . 1 . . . . . 176 I CG1 . 27244 1 774 . 1 1 188 188 ILE CG2 C 13 18.197 0.3 . 1 . . . . . 176 I CG2 . 27244 1 775 . 1 1 188 188 ILE CD1 C 13 15.028 0.3 . 1 . . . . . 176 I CD1 . 27244 1 776 . 1 1 188 188 ILE N N 15 109.943 0.5 . 1 . . . . . 176 I N . 27244 1 777 . 1 1 189 189 SER C C 13 176.521 0.3 . 1 . . . . . 177 S C . 27244 1 778 . 1 1 189 189 SER CA C 13 59.619 0.3 . 1 . . . . . 177 S CA . 27244 1 779 . 1 1 189 189 SER CB C 13 67.657 0.3 . 1 . . . . . 177 S CB . 27244 1 780 . 1 1 189 189 SER N N 15 99.938 0.5 . 1 . . . . . 177 S N . 27244 1 781 . 1 1 190 190 ILE C C 13 175.779 0.3 . 1 . . . . . 178 I C . 27244 1 782 . 1 1 190 190 ILE CA C 13 66.726 0.3 . 1 . . . . . 178 I CA . 27244 1 783 . 1 1 190 190 ILE CB C 13 35.358 0.3 . 1 . . . . . 178 I CB . 27244 1 784 . 1 1 190 190 ILE CG1 C 13 29.944 0.3 . 1 . . . . . 178 I CG1 . 27244 1 785 . 1 1 190 190 ILE CG2 C 13 17.503 0.3 . 1 . . . . . 178 I CG2 . 27244 1 786 . 1 1 190 190 ILE CD1 C 13 14.848 0.3 . 1 . . . . . 178 I CD1 . 27244 1 787 . 1 1 190 190 ILE N N 15 129.419 0.5 . 1 . . . . . 178 I N . 27244 1 788 . 1 1 191 191 PRO C C 13 175.81 0.3 . 1 . . . . . 179 P C . 27244 1 789 . 1 1 191 191 PRO CA C 13 65.059 0.3 . 1 . . . . . 179 P CA . 27244 1 790 . 1 1 191 191 PRO CB C 13 33.148 0.3 . 1 . . . . . 179 P CB . 27244 1 791 . 1 1 191 191 PRO CG C 13 28.383 0.3 . 1 . . . . . 179 P CG . 27244 1 792 . 1 1 191 191 PRO CD C 13 49.57 0.3 . 1 . . . . . 179 P CD . 27244 1 793 . 1 1 191 191 PRO N N 15 129.372 0.5 . 1 . . . . . 179 P N . 27244 1 794 . 1 1 192 192 VAL C C 13 179.661 0.3 . 1 . . . . . 180 V C . 27244 1 795 . 1 1 192 192 VAL CA C 13 63.827 0.3 . 1 . . . . . 180 V CA . 27244 1 796 . 1 1 192 192 VAL CB C 13 31.925 0.3 . 1 . . . . . 180 V CB . 27244 1 797 . 1 1 192 192 VAL CG1 C 13 22.174 0.3 . 2 . . . . . 180 V CG1 . 27244 1 798 . 1 1 192 192 VAL CG2 C 13 20.518 0.3 . 2 . . . . . 180 V CG2 . 27244 1 799 . 1 1 192 192 VAL N N 15 111.01 0.5 . 1 . . . . . 180 V N . 27244 1 800 . 1 1 193 193 THR C C 13 177.399 0.3 . 1 . . . . . 181 T C . 27244 1 801 . 1 1 193 193 THR CA C 13 60.413 0.3 . 1 . . . . . 181 T CA . 27244 1 802 . 1 1 193 193 THR CB C 13 69.739 0.3 . 1 . . . . . 181 T CB . 27244 1 803 . 1 1 193 193 THR CG2 C 13 24.671 0.3 . 1 . . . . . 181 T CG . 27244 1 804 . 1 1 193 193 THR N N 15 104.906 0.5 . 1 . . . . . 181 T N . 27244 1 805 . 1 1 194 194 ASN C C 13 172.243 0.3 . 1 . . . . . 182 N C . 27244 1 806 . 1 1 194 194 ASN CA C 13 54.077 0.3 . 1 . . . . . 182 N CA . 27244 1 807 . 1 1 194 194 ASN CB C 13 39.365 0.3 . 1 . . . . . 182 N CB . 27244 1 808 . 1 1 194 194 ASN CG C 13 177.533 0.3 . 1 . . . . . 182 N CG . 27244 1 809 . 1 1 194 194 ASN N N 15 124.453 0.5 . 1 . . . . . 182 N N . 27244 1 810 . 1 1 196 196 SER C C 13 174.181 0.3 . 1 . . . . . 184 S C . 27244 1 811 . 1 1 196 196 SER CA C 13 58.417 0.3 . 1 . . . . . 184 S CA . 27244 1 812 . 1 1 196 196 SER CB C 13 64.068 0.3 . 1 . . . . . 184 S CB . 27244 1 813 . 1 1 196 196 SER N N 15 129.118 0.5 . 1 . . . . . 184 S N . 27244 1 814 . 1 1 197 197 VAL C C 13 174.997 0.3 . 1 . . . . . 185 V C . 27244 1 815 . 1 1 197 197 VAL CA C 13 62.232 0.3 . 1 . . . . . 185 V CA . 27244 1 816 . 1 1 197 197 VAL CB C 13 33.467 0.3 . 1 . . . . . 185 V CB . 27244 1 817 . 1 1 197 197 VAL CG1 C 13 22.349 0.3 . 2 . . . . . 185 V CG1 . 27244 1 818 . 1 1 197 197 VAL CG2 C 13 21.278 0.3 . 2 . . . . . 185 V CG2 . 27244 1 819 . 1 1 197 197 VAL N N 15 111.751 0.5 . 1 . . . . . 185 V N . 27244 1 820 . 1 1 198 198 ASN C C 13 173.983 0.3 . 1 . . . . . 186 N C . 27244 1 821 . 1 1 198 198 ASN CA C 13 52.038 0.3 . 1 . . . . . 186 N CA . 27244 1 822 . 1 1 198 198 ASN CB C 13 39.384 0.3 . 1 . . . . . 186 N CB . 27244 1 823 . 1 1 198 198 ASN CG C 13 178.669 0.3 . 1 . . . . . 186 N CG . 27244 1 824 . 1 1 198 198 ASN N N 15 110.933 0.5 . 1 . . . . . 186 N N . 27244 1 825 . 1 1 199 199 PRO C C 13 180.774 0.3 . 1 . . . . . 187 P C . 27244 1 826 . 1 1 199 199 PRO CA C 13 63.601 0.3 . 1 . . . . . 187 P CA . 27244 1 827 . 1 1 199 199 PRO CB C 13 31.494 0.3 . 1 . . . . . 187 P CB . 27244 1 828 . 1 1 199 199 PRO CG C 13 26.685 0.3 . 1 . . . . . 187 P CG . 27244 1 829 . 1 1 199 199 PRO CD C 13 50.64 0.3 . 1 . . . . . 187 P CD . 27244 1 830 . 1 1 199 199 PRO N N 15 134.085 0.5 . 1 . . . . . 187 P N . 27244 1 831 . 1 1 200 200 ALA C C 13 178.466 0.3 . 1 . . . . . 188 A C . 27244 1 832 . 1 1 200 200 ALA CA C 13 54.91 0.3 . 1 . . . . . 188 A CA . 27244 1 833 . 1 1 200 200 ALA CB C 13 18.161 0.3 . 1 . . . . . 188 A CB . 27244 1 834 . 1 1 200 200 ALA N N 15 116.985 0.5 . 1 . . . . . 188 A N . 27244 1 835 . 1 1 201 201 ARG C C 13 179.085 0.3 . 1 . . . . . 189 R C . 27244 1 836 . 1 1 201 201 ARG CA C 13 57.68 0.3 . 1 . . . . . 189 R CA . 27244 1 837 . 1 1 201 201 ARG CB C 13 28.564 0.3 . 1 . . . . . 189 R CB . 27244 1 838 . 1 1 201 201 ARG CG C 13 26.136 0.3 . 1 . . . . . 189 R CG . 27244 1 839 . 1 1 201 201 ARG CD C 13 43.76 0.3 . 1 . . . . . 189 R CD . 27244 1 840 . 1 1 201 201 ARG CZ C 13 159.26 0.3 . 1 . . . . . 189 R CZ . 27244 1 841 . 1 1 201 201 ARG N N 15 120.811 0.5 . 1 . . . . . 189 R N . 27244 1 842 . 1 1 202 202 SER C C 13 175.907 0.3 . 1 . . . . . 190 S C . 27244 1 843 . 1 1 202 202 SER CA C 13 62.29 0.3 . 1 . . . . . 190 S CA . 27244 1 844 . 1 1 202 202 SER CB C 13 63.201 0.3 . 1 . . . . . 190 S CB . 27244 1 845 . 1 1 202 202 SER N N 15 115.186 0.5 . 1 . . . . . 190 S N . 27244 1 846 . 1 1 203 203 THR C C 13 174.18 0.3 . 1 . . . . . 191 T C . 27244 1 847 . 1 1 203 203 THR CA C 13 66.628 0.3 . 1 . . . . . 191 T CA . 27244 1 848 . 1 1 203 203 THR CB C 13 69.525 0.3 . 1 . . . . . 191 T CB . 27244 1 849 . 1 1 203 203 THR CG2 C 13 21.991 0.3 . 1 . . . . . 191 T CG . 27244 1 850 . 1 1 203 203 THR N N 15 118.377 0.5 . 1 . . . . . 191 T N . 27244 1 851 . 1 1 204 204 ALA C C 13 176.172 0.3 . 1 . . . . . 192 A C . 27244 1 852 . 1 1 204 204 ALA CA C 13 55.855 0.3 . 1 . . . . . 192 A CA . 27244 1 853 . 1 1 204 204 ALA CB C 13 19.78 0.3 . 1 . . . . . 192 A CB . 27244 1 854 . 1 1 204 204 ALA N N 15 118.966 0.5 . 1 . . . . . 192 A N . 27244 1 855 . 1 1 205 205 VAL C C 13 178.71 0.3 . 1 . . . . . 193 V C . 27244 1 856 . 1 1 205 205 VAL CA C 13 62.289 0.3 . 1 . . . . . 193 V CA . 27244 1 857 . 1 1 205 205 VAL CB C 13 30.511 0.3 . 1 . . . . . 193 V CB . 27244 1 858 . 1 1 205 205 VAL CG1 C 13 23.001 0.3 . 2 . . . . . 193 V CG1 . 27244 1 859 . 1 1 205 205 VAL CG2 C 13 18.855 0.3 . 2 . . . . . 193 V CG2 . 27244 1 860 . 1 1 205 205 VAL N N 15 97.614 0.5 . 1 . . . . . 193 V N . 27244 1 861 . 1 1 206 206 ALA C C 13 179.668 0.3 . 1 . . . . . 194 A C . 27244 1 862 . 1 1 206 206 ALA CA C 13 54.609 0.3 . 1 . . . . . 194 A CA . 27244 1 863 . 1 1 206 206 ALA CB C 13 19.739 0.3 . 1 . . . . . 194 A CB . 27244 1 864 . 1 1 206 206 ALA N N 15 125.453 0.5 . 1 . . . . . 194 A N . 27244 1 865 . 1 1 207 207 ILE C C 13 176.683 0.3 . 1 . . . . . 195 I C . 27244 1 866 . 1 1 207 207 ILE CA C 13 64.488 0.3 . 1 . . . . . 195 I CA . 27244 1 867 . 1 1 207 207 ILE CB C 13 38.779 0.3 . 1 . . . . . 195 I CB . 27244 1 868 . 1 1 207 207 ILE CG1 C 13 28.287 0.3 . 1 . . . . . 195 I CG1 . 27244 1 869 . 1 1 207 207 ILE CG2 C 13 20.069 0.3 . 1 . . . . . 195 I CG2 . 27244 1 870 . 1 1 207 207 ILE CD1 C 13 16.657 0.3 . 1 . . . . . 195 I CD1 . 27244 1 871 . 1 1 207 207 ILE N N 15 111.259 0.5 . 1 . . . . . 195 I N . 27244 1 872 . 1 1 208 208 PHE C C 13 177.352 0.3 . 1 . . . . . 196 F C . 27244 1 873 . 1 1 208 208 PHE CA C 13 57.568 0.3 . 1 . . . . . 196 F CA . 27244 1 874 . 1 1 208 208 PHE CB C 13 41.484 0.3 . 1 . . . . . 196 F CB . 27244 1 875 . 1 1 208 208 PHE N N 15 120.694 0.5 . 1 . . . . . 196 F N . 27244 1 876 . 1 1 209 209 GLN C C 13 179.55 0.3 . 1 . . . . . 197 Q C . 27244 1 877 . 1 1 209 209 GLN CA C 13 60.45 0.3 . 1 . . . . . 197 Q CA . 27244 1 878 . 1 1 209 209 GLN CB C 13 30.526 0.3 . 1 . . . . . 197 Q CB . 27244 1 879 . 1 1 209 209 GLN CG C 13 31.676 0.3 . 1 . . . . . 197 Q CG . 27244 1 880 . 1 1 209 209 GLN N N 15 122.584 0.5 . 1 . . . . . 197 Q N . 27244 1 881 . 1 1 210 210 GLY C C 13 176.165 0.3 . 1 . . . . . 198 G C . 27244 1 882 . 1 1 210 210 GLY CA C 13 46.81 0.3 . 1 . . . . . 198 G CA . 27244 1 883 . 1 1 210 210 GLY N N 15 98.703 0.5 . 1 . . . . . 198 G N . 27244 1 884 . 1 1 211 211 GLY C C 13 175.823 0.3 . 1 . . . . . 199 G C . 27244 1 885 . 1 1 211 211 GLY CA C 13 45.48 0.3 . 1 . . . . . 199 G CA . 27244 1 886 . 1 1 211 211 GLY N N 15 109.739 0.5 . 1 . . . . . 199 G N . 27244 1 887 . 1 1 212 212 TRP C C 13 177.741 0.3 . 1 . . . . . 200 W C . 27244 1 888 . 1 1 212 212 TRP CA C 13 58.628 0.3 . 1 . . . . . 200 W CA . 27244 1 889 . 1 1 212 212 TRP CB C 13 28.058 0.3 . 1 . . . . . 200 W CB . 27244 1 890 . 1 1 212 212 TRP N N 15 132.325 0.5 . 1 . . . . . 200 W N . 27244 1 891 . 1 1 213 213 ALA C C 13 181.381 0.3 . 1 . . . . . 201 A C . 27244 1 892 . 1 1 213 213 ALA CA C 13 55.801 0.3 . 1 . . . . . 201 A CA . 27244 1 893 . 1 1 213 213 ALA CB C 13 19.816 0.3 . 1 . . . . . 201 A CB . 27244 1 894 . 1 1 213 213 ALA N N 15 124.476 0.5 . 1 . . . . . 201 A N . 27244 1 895 . 1 1 214 214 LEU C C 13 178.081 0.3 . 1 . . . . . 202 L C . 27244 1 896 . 1 1 214 214 LEU CA C 13 56.596 0.3 . 1 . . . . . 202 L CA . 27244 1 897 . 1 1 214 214 LEU CB C 13 42.064 0.3 . 1 . . . . . 202 L CB . 27244 1 898 . 1 1 214 214 LEU CG C 13 26.212 0.3 . 1 . . . . . 202 L CG . 27244 1 899 . 1 1 214 214 LEU CD1 C 13 23.239 0.3 . 2 . . . . . 202 L CD1 . 27244 1 900 . 1 1 214 214 LEU CD2 C 13 24.106 0.3 . 2 . . . . . 202 L CD2 . 27244 1 901 . 1 1 214 214 LEU N N 15 115.151 0.5 . 1 . . . . . 202 L N . 27244 1 902 . 1 1 215 215 GLU C C 13 178.543 0.3 . 1 . . . . . 203 E C . 27244 1 903 . 1 1 215 215 GLU CA C 13 59.198 0.3 . 1 . . . . . 203 E CA . 27244 1 904 . 1 1 215 215 GLU CB C 13 29.625 0.3 . 1 . . . . . 203 E CB . 27244 1 905 . 1 1 215 215 GLU CG C 13 36.555 0.3 . 1 . . . . . 203 E CG . 27244 1 906 . 1 1 215 215 GLU CD C 13 182.619 0.3 . 1 . . . . . 203 E CD . 27244 1 907 . 1 1 215 215 GLU N N 15 120.021 0.5 . 1 . . . . . 203 E N . 27244 1 908 . 1 1 216 216 GLN C C 13 176.612 0.3 . 1 . . . . . 204 Q C . 27244 1 909 . 1 1 216 216 GLN CA C 13 56.746 0.3 . 1 . . . . . 204 Q CA . 27244 1 910 . 1 1 216 216 GLN CB C 13 29.169 0.3 . 1 . . . . . 204 Q CB . 27244 1 911 . 1 1 216 216 GLN CG C 13 33.672 0.3 . 1 . . . . . 204 Q CG . 27244 1 912 . 1 1 216 216 GLN CD C 13 178.794 0.3 . 1 . . . . . 204 Q CD . 27244 1 913 . 1 1 216 216 GLN N N 15 112.853 0.5 . 1 . . . . . 204 Q N . 27244 1 914 . 1 1 217 217 LEU C C 13 178.517 0.3 . 1 . . . . . 205 L C . 27244 1 915 . 1 1 217 217 LEU CA C 13 58.216 0.3 . 1 . . . . . 205 L CA . 27244 1 916 . 1 1 217 217 LEU CB C 13 41.206 0.3 . 1 . . . . . 205 L CB . 27244 1 917 . 1 1 217 217 LEU CG C 13 27.523 0.3 . 1 . . . . . 205 L CG . 27244 1 918 . 1 1 217 217 LEU CD1 C 13 25.891 0.3 . 2 . . . . . 205 L CD1 . 27244 1 919 . 1 1 217 217 LEU CD2 C 13 23.647 0.3 . 2 . . . . . 205 L CD2 . 27244 1 920 . 1 1 217 217 LEU N N 15 119.44 0.5 . 1 . . . . . 205 L N . 27244 1 921 . 1 1 218 218 TRP C C 13 176.825 0.3 . 1 . . . . . 206 W C . 27244 1 922 . 1 1 218 218 TRP CA C 13 59.413 0.3 . 1 . . . . . 206 W CA . 27244 1 923 . 1 1 218 218 TRP CB C 13 27.428 0.3 . 1 . . . . . 206 W CB . 27244 1 924 . 1 1 218 218 TRP N N 15 116.707 0.5 . 1 . . . . . 206 W N . 27244 1 925 . 1 1 219 219 PHE C C 13 175.48 0.3 . 1 . . . . . 207 F C . 27244 1 926 . 1 1 219 219 PHE CA C 13 61.086 0.3 . 1 . . . . . 207 F CA . 27244 1 927 . 1 1 219 219 PHE CB C 13 40.245 0.3 . 1 . . . . . 207 F CB . 27244 1 928 . 1 1 219 219 PHE N N 15 126.828 0.5 . 1 . . . . . 207 F N . 27244 1 929 . 1 1 220 220 PHE C C 13 173.687 0.3 . 1 . . . . . 208 F C . 27244 1 930 . 1 1 220 220 PHE CA C 13 59.787 0.3 . 1 . . . . . 208 F CA . 27244 1 931 . 1 1 220 220 PHE CB C 13 38.183 0.3 . 1 . . . . . 208 F CB . 27244 1 932 . 1 1 220 220 PHE N N 15 115.687 0.5 . 1 . . . . . 208 F N . 27244 1 933 . 1 1 221 221 TRP C C 13 176.95 0.3 . 1 . . . . . 209 W C . 27244 1 934 . 1 1 221 221 TRP CA C 13 60.421 0.3 . 1 . . . . . 209 W CA . 27244 1 935 . 1 1 221 221 TRP CB C 13 29.767 0.3 . 1 . . . . . 209 W CB . 27244 1 936 . 1 1 221 221 TRP CD1 C 13 126.154 0.3 . 1 . . . . . 209 W CD1 . 27244 1 937 . 1 1 221 221 TRP CE2 C 13 139.34 0.3 . 1 . . . . . 209 W CE2 . 27244 1 938 . 1 1 221 221 TRP CZ2 C 13 114.372 0.3 . 1 . . . . . 209 W CZ2 . 27244 1 939 . 1 1 221 221 TRP N N 15 113.985 0.5 . 1 . . . . . 209 W N . 27244 1 940 . 1 1 222 222 VAL C C 13 176.423 0.3 . 1 . . . . . 210 V C . 27244 1 941 . 1 1 222 222 VAL CA C 13 66.612 0.3 . 1 . . . . . 210 V CA . 27244 1 942 . 1 1 222 222 VAL CB C 13 33.166 0.3 . 1 . . . . . 210 V CB . 27244 1 943 . 1 1 222 222 VAL CG1 C 13 23.203 0.3 . 2 . . . . . 210 V CG1 . 27244 1 944 . 1 1 222 222 VAL CG2 C 13 21.737 0.3 . 2 . . . . . 210 V CG2 . 27244 1 945 . 1 1 222 222 VAL N N 15 113.678 0.5 . 1 . . . . . 210 V N . 27244 1 946 . 1 1 223 223 VAL C C 13 174.614 0.3 . 1 . . . . . 211 V C . 27244 1 947 . 1 1 223 223 VAL CA C 13 69.741 0.3 . 1 . . . . . 211 V CA . 27244 1 948 . 1 1 223 223 VAL CB C 13 31.21 0.3 . 1 . . . . . 211 V CB . 27244 1 949 . 1 1 223 223 VAL CG1 C 13 23.857 0.3 . 2 . . . . . 211 V CG1 . 27244 1 950 . 1 1 223 223 VAL CG2 C 13 22.834 0.3 . 2 . . . . . 211 V CG2 . 27244 1 951 . 1 1 223 223 VAL N N 15 115.731 0.5 . 1 . . . . . 211 V N . 27244 1 952 . 1 1 224 224 PRO C C 13 179.08 0.3 . 1 . . . . . 212 P C . 27244 1 953 . 1 1 224 224 PRO CA C 13 64.871 0.3 . 1 . . . . . 212 P CA . 27244 1 954 . 1 1 224 224 PRO CB C 13 34.886 0.3 . 1 . . . . . 212 P CG . 27244 1 955 . 1 1 224 224 PRO CG C 13 32.598 0.3 . 1 . . . . . 212 P CB . 27244 1 956 . 1 1 224 224 PRO CD C 13 50.045 0.3 . 1 . . . . . 212 P CD . 27244 1 957 . 1 1 224 224 PRO N N 15 132.75 0.5 . 1 . . . . . 212 P N . 27244 1 958 . 1 1 225 225 ILE C C 13 177.658 0.3 . 1 . . . . . 213 I C . 27244 1 959 . 1 1 225 225 ILE CA C 13 65.629 0.3 . 1 . . . . . 213 I CA . 27244 1 960 . 1 1 225 225 ILE CB C 13 37.085 0.3 . 1 . . . . . 213 I CB . 27244 1 961 . 1 1 225 225 ILE CG1 C 13 27.532 0.3 . 1 . . . . . 213 I CG1 . 27244 1 962 . 1 1 225 225 ILE CG2 C 13 17.68 0.3 . 1 . . . . . 213 I CG2 . 27244 1 963 . 1 1 225 225 ILE CD1 C 13 14.212 0.3 . 1 . . . . . 213 I CD . 27244 1 964 . 1 1 225 225 ILE N N 15 112.37 0.5 . 1 . . . . . 213 I N . 27244 1 965 . 1 1 226 226 VAL C C 13 177.32 0.3 . 1 . . . . . 214 V C . 27244 1 966 . 1 1 226 226 VAL CA C 13 67.403 0.3 . 1 . . . . . 214 V CA . 27244 1 967 . 1 1 226 226 VAL CB C 13 31.337 0.3 . 1 . . . . . 214 V CB . 27244 1 968 . 1 1 226 226 VAL CG1 C 13 24.146 0.3 . 2 . . . . . 214 V CG1 . 27244 1 969 . 1 1 226 226 VAL CG2 C 13 21.727 0.3 . 2 . . . . . 214 V CG2 . 27244 1 970 . 1 1 226 226 VAL N N 15 119.943 0.5 . 1 . . . . . 214 V N . 27244 1 971 . 1 1 227 227 GLY C C 13 174.92 0.3 . 1 . . . . . 215 G C . 27244 1 972 . 1 1 227 227 GLY CA C 13 47.955 0.3 . 1 . . . . . 215 G CA . 27244 1 973 . 1 1 227 227 GLY N N 15 105.638 0.5 . 1 . . . . . 215 G N . 27244 1 974 . 1 1 228 228 GLY C C 13 175.439 0.3 . 1 . . . . . 216 G C . 27244 1 975 . 1 1 228 228 GLY CA C 13 47.265 0.3 . 1 . . . . . 216 G CA . 27244 1 976 . 1 1 228 228 GLY N N 15 109.979 0.5 . 1 . . . . . 216 G N . 27244 1 977 . 1 1 229 229 ILE C C 13 177.248 0.3 . 1 . . . . . 217 I C . 27244 1 978 . 1 1 229 229 ILE CA C 13 65.789 0.3 . 1 . . . . . 217 I CA . 27244 1 979 . 1 1 229 229 ILE CB C 13 37.894 0.3 . 1 . . . . . 217 I CB . 27244 1 980 . 1 1 229 229 ILE CG1 C 13 30.328 0.3 . 1 . . . . . 217 I CG1 . 27244 1 981 . 1 1 229 229 ILE CG2 C 13 17.017 0.3 . 1 . . . . . 217 I CG2 . 27244 1 982 . 1 1 229 229 ILE CD1 C 13 14.569 0.3 . 1 . . . . . 217 I CD . 27244 1 983 . 1 1 229 229 ILE N N 15 121.467 0.5 . 1 . . . . . 217 I N . 27244 1 984 . 1 1 230 230 ILE C C 13 177.944 0.3 . 1 . . . . . 218 I C . 27244 1 985 . 1 1 230 230 ILE CA C 13 66.017 0.3 . 1 . . . . . 218 I CA . 27244 1 986 . 1 1 230 230 ILE CB C 13 37.312 0.3 . 1 . . . . . 218 I CB . 27244 1 987 . 1 1 230 230 ILE CG1 C 13 30.316 0.3 . 1 . . . . . 218 I CG1 . 27244 1 988 . 1 1 230 230 ILE CG2 C 13 16.827 0.3 . 1 . . . . . 218 I CG2 . 27244 1 989 . 1 1 230 230 ILE CD1 C 13 14.059 0.3 . 1 . . . . . 218 I CD1 . 27244 1 990 . 1 1 230 230 ILE N N 15 118.805 0.5 . 1 . . . . . 218 I N . 27244 1 991 . 1 1 231 231 GLY C C 13 175.057 0.3 . 1 . . . . . 219 G C . 27244 1 992 . 1 1 231 231 GLY CA C 13 48.088 0.3 . 1 . . . . . 219 G CA . 27244 1 993 . 1 1 231 231 GLY N N 15 105.826 0.5 . 1 . . . . . 219 G N . 27244 1 994 . 1 1 232 232 GLY C C 13 175.234 0.3 . 1 . . . . . 220 G C . 27244 1 995 . 1 1 232 232 GLY CA C 13 46.959 0.3 . 1 . . . . . 220 G CA . 27244 1 996 . 1 1 232 232 GLY N N 15 107.005 0.5 . 1 . . . . . 220 G N . 27244 1 997 . 1 1 233 233 LEU C C 13 177.517 0.3 . 1 . . . . . 221 L C . 27244 1 998 . 1 1 233 233 LEU CA C 13 57.475 0.3 . 1 . . . . . 221 L CA . 27244 1 999 . 1 1 233 233 LEU CB C 13 41.889 0.3 . 1 . . . . . 221 L CB . 27244 1 1000 . 1 1 233 233 LEU CG C 13 26.364 0.3 . 1 . . . . . 221 L CG . 27244 1 1001 . 1 1 233 233 LEU CD1 C 13 23.12 0.3 . 2 . . . . . 221 L CD1 . 27244 1 1002 . 1 1 233 233 LEU CD2 C 13 21.716 0.3 . 2 . . . . . 221 L CD2 . 27244 1 1003 . 1 1 233 233 LEU N N 15 119.348 0.5 . 1 . . . . . 221 L N . 27244 1 1004 . 1 1 234 234 ILE C C 13 178.484 0.3 . 1 . . . . . 222 I C . 27244 1 1005 . 1 1 234 234 ILE CA C 13 61.705 0.3 . 1 . . . . . 222 I CA . 27244 1 1006 . 1 1 234 234 ILE CB C 13 37.817 0.3 . 1 . . . . . 222 I CB . 27244 1 1007 . 1 1 234 234 ILE CG1 C 13 26.389 0.3 . 1 . . . . . 222 I CG1 . 27244 1 1008 . 1 1 234 234 ILE CG2 C 13 18.106 0.3 . 1 . . . . . 222 I CG2 . 27244 1 1009 . 1 1 234 234 ILE N N 15 122.306 0.5 . 1 . . . . . 222 I N . 27244 1 1010 . 1 1 235 235 TYR C C 13 178.41 0.3 . 1 . . . . . 223 Y C . 27244 1 1011 . 1 1 235 235 TYR CA C 13 57.438 0.3 . 1 . . . . . 223 Y CA . 27244 1 1012 . 1 1 235 235 TYR CB C 13 37.571 0.3 . 1 . . . . . 223 Y CB . 27244 1 1013 . 1 1 235 235 TYR CG C 13 123.967 0.3 . 1 . . . . . 223 Y CG . 27244 1 1014 . 1 1 235 235 TYR CD1 C 13 132.522 0.3 . 1 . . . . . 223 Y CD1 . 27244 1 1015 . 1 1 235 235 TYR CD2 C 13 129.914 0.3 . 1 . . . . . 223 Y CD2 . 27244 1 1016 . 1 1 235 235 TYR N N 15 120.8 0.5 . 1 . . . . . 223 Y N . 27244 1 1017 . 1 1 236 236 ARG C C 13 178.969 0.3 . 1 . . . . . 224 R C . 27244 1 1018 . 1 1 236 236 ARG CA C 13 57.602 0.3 . 1 . . . . . 224 R CA . 27244 1 1019 . 1 1 236 236 ARG CB C 13 28.462 0.3 . 1 . . . . . 224 R CB . 27244 1 1020 . 1 1 236 236 ARG CG C 13 26.228 0.3 . 1 . . . . . 224 R CG . 27244 1 1021 . 1 1 236 236 ARG CD C 13 43.76 0.3 . 1 . . . . . 224 R CD . 27244 1 1022 . 1 1 236 236 ARG CZ C 13 160.179 0.3 . 1 . . . . . 224 R CZ . 27244 1 1023 . 1 1 236 236 ARG N N 15 120.873 0.5 . 1 . . . . . 224 R N . 27244 1 1024 . 1 1 236 236 ARG NH1 N 15 70.234 0.5 . 1 . . . . . 224 R NH1 . 27244 1 1025 . 1 1 237 237 THR C C 13 175.911 0.3 . 1 . . . . . 225 T C . 27244 1 1026 . 1 1 237 237 THR CA C 13 62.267 0.3 . 1 . . . . . 225 T CA . 27244 1 1027 . 1 1 237 237 THR CB C 13 63.252 0.3 . 1 . . . . . 225 T CB . 27244 1 1028 . 1 1 237 237 THR CG2 C 13 19.51 0.3 . 1 . . . . . 225 T CG . 27244 1 1029 . 1 1 237 237 THR N N 15 115.189 0.5 . 1 . . . . . 225 T N . 27244 1 1030 . 1 1 238 238 LEU C C 13 176.4 0.3 . 1 . . . . . 226 L C . 27244 1 1031 . 1 1 238 238 LEU CA C 13 58.26 0.3 . 1 . . . . . 226 L CA . 27244 1 1032 . 1 1 238 238 LEU CB C 13 41.21 0.3 . 1 . . . . . 226 L CB . 27244 1 1033 . 1 1 238 238 LEU CG C 13 27.48 0.3 . 1 . . . . . 226 L CG . 27244 1 1034 . 1 1 238 238 LEU CD1 C 13 22.39 0.3 . 2 . . . . . 226 L CD1 . 27244 1 1035 . 1 1 238 238 LEU N N 15 123.5 0.5 . 1 . . . . . 226 L N . 27244 1 1036 . 1 1 239 239 LEU C C 13 176.7 0.3 . 1 . . . . . 227 L C . 27244 1 1037 . 1 1 239 239 LEU CA C 13 57.36 0.3 . 1 . . . . . 227 L CA . 27244 1 1038 . 1 1 239 239 LEU CB C 13 41.08 0.3 . 1 . . . . . 227 L CB . 27244 1 1039 . 1 1 239 239 LEU N N 15 117.3 0.5 . 1 . . . . . 227 L N . 27244 1 1040 . 1 1 240 240 GLU C C 13 180.139 0.3 . 1 . . . . . 228 E C . 27244 1 1041 . 1 1 240 240 GLU CA C 13 59.902 0.3 . 1 . . . . . 228 E CA . 27244 1 1042 . 1 1 240 240 GLU CB C 13 29.1 0.3 . 1 . . . . . 228 E CB . 27244 1 1043 . 1 1 240 240 GLU CG C 13 33.58 0.3 . 1 . . . . . 228 E CG . 27244 1 1044 . 1 1 240 240 GLU N N 15 120.91 0.5 . 1 . . . . . 228 E N . 27244 1 1045 . 1 1 241 241 LYS C C 13 178.209 0.3 . 1 . . . . . 229 K C . 27244 1 1046 . 1 1 241 241 LYS CA C 13 59.149 0.3 . 1 . . . . . 229 K CA . 27244 1 1047 . 1 1 241 241 LYS CB C 13 32.011 0.3 . 1 . . . . . 229 K CB . 27244 1 1048 . 1 1 241 241 LYS CD C 13 26.273 0.3 . 1 . . . . . 229 K CD . 27244 1 1049 . 1 1 241 241 LYS CE C 13 43.334 0.3 . 1 . . . . . 229 K CE . 27244 1 1050 . 1 1 241 241 LYS N N 15 122.737 0.5 . 1 . . . . . 229 K N . 27244 1 1051 . 1 1 242 242 ARG C C 13 177.945 0.3 . 1 . . . . . 230 R C . 27244 1 1052 . 1 1 242 242 ARG CA C 13 56.9 0.3 . 1 . . . . . 230 R CA . 27244 1 1053 . 1 1 242 242 ARG CB C 13 30.33 0.3 . 1 . . . . . 230 R CB . 27244 1 1054 . 1 1 242 242 ARG CG C 13 26.27 0.3 . 1 . . . . . 230 R CG . 27244 1 1055 . 1 1 242 242 ARG CD C 13 41.906 0.3 . 1 . . . . . 230 R CD . 27244 1 1056 . 1 1 242 242 ARG N N 15 115.682 0.5 . 1 . . . . . 230 R N . 27244 1 1057 . 1 1 243 243 ASP C C 13 178.641 0.3 . 1 . . . . . 231 D C . 27244 1 1058 . 1 1 243 243 ASP CA C 13 58.56 0.3 . 1 . . . . . 231 D CA . 27244 1 1059 . 1 1 243 243 ASP CB C 13 40.98 0.3 . 1 . . . . . 231 D CB . 27244 1 1060 . 1 1 243 243 ASP N N 15 119.144 0.5 . 1 . . . . . 231 D N . 27244 1 stop_ save_