data_17327 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17327 _Entry.Title ; Not known ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-29 _Entry.Accession_date 2010-11-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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.Entry_ID 1 Sina Reckel . . . 17327 2 Daniel Gottstein . . . 17327 3 Jochen Stehle . . . 17327 4 Frank Loehr . . . 17327 5 Mitsuhiro Takeda . . . 17327 6 Robert Silvers . . . 17327 7 Masatsune Kainosho . . . 17327 8 Clemens Glaubitz . . . 17327 9 Frank Bernhard . . . 17327 10 Harald Schwalbe . . . 17327 11 Peter Guntert . . . 17327 12 Volker Doetsch . . . 17327 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17327 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell-free expression' . 17327 'membrane protein structure' . 17327 NMR . 17327 proteorhodopsin . 17327 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17327 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 783 17327 '15N chemical shifts' 223 17327 '1H chemical shifts' 998 17327 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-12 2010-11-29 update BMRB 'update entry citation' 17327 1 . . 2011-10-31 2010-11-29 original author 'original release' 17327 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17327 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22034093 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of proteorhodopsin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 50 _Citation.Journal_issue 50 _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 11942 _Citation.Page_last 11946 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Sina Reckel . . . 17327 1 2 Daniel Gottstein . . . 17327 1 3 Jochen Stehle . . . 17327 1 4 Frank Lohr . . . 17327 1 5 Mirka-Kristin Verhoefen . . . 17327 1 6 Mitsuhiro Takeda . . . 17327 1 7 Robert Silvers . . . 17327 1 8 Masatsune Kainosho . . . 17327 1 9 Clemens Glaubitz . . . 17327 1 10 Josef Wachtveitl . . . 17327 1 11 Frank Bernhard . . . 17327 1 12 Harald Schwalbe . . . 17327 1 13 Peter Guntert . . . 17327 1 14 Volker Dotsch . . . 17327 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cell-free expression' 17327 1 'membrane protein' 17327 1 'solution NMR' 17327 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17327 _Assembly.ID 1 _Assembly.Name proteorhodopsin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 proteorhodopsin 1 $proteorhodopsin A . yes native no no . . . 17327 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_proteorhodopsin _Entity.Sf_category entity _Entity.Sf_framecode proteorhodopsin _Entity.Entry_ID 17327 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name proteorhodopsin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGGGDLDASDYTGVSFWLVT AALLASTVFFFVERDRVSAK WKTSLTVSGLVTGIAFWHYM YMRGVWIETGDSPTVFRYID WLLTVPLLICEFYLILAAAT NVAGSLFKKLLVGSLVMLVF GYMGEAGIMAAWPAFIIGCL AWVYMIYELWAGEGKSACNT ASPAVQSAYNTMMYIIIFGW AIYPVGYFTGYLMGDGGSAL NLNLIYNLADFVNXILFGLI IWNVAVKESSNAPGGGSHHH HHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _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 'all free' _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 2015-11-25 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 1 yes EMBL AAG10475.1 . . . . . . . . . . . . . . . . 17327 1 2 yes UNP Q9F7P4 . . . . . . . . . . . . . . . . 17327 1 3 no BMRB 15955 . GPR . . . . . 99.59 255 97.52 97.52 1.08e-165 . . . . 17327 1 4 no BMRB 17817 . GPR . . . . . 99.59 255 97.52 97.52 1.08e-165 . . . . 17327 1 5 no PDB 2L6X . "Solution Nmr Structure Of Proteorhodopsin" . . . . . 100.00 243 99.59 99.59 1.15e-172 . . . . 17327 1 6 no GB AAG10475 . "proteorhodopsin [uncultured marine gamma proteobacterium EBAC31A08]" . . . . . 95.06 249 99.57 99.57 2.67e-161 . . . . 17327 1 7 no GB AAK30175 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 95.47 252 96.98 98.71 9.78e-159 . . . . 17327 1 8 no GB AAK30176 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 95.06 251 96.97 97.84 8.54e-157 . . . . 17327 1 9 no GB AAK30183 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 95.06 251 96.97 97.84 8.54e-157 . . . . 17327 1 10 no GB AAK30184 . "proteorhodopsin, partial [uncultured bacterium]" . . . . . 95.06 251 96.97 98.27 2.96e-157 . . . . 17327 1 11 no SP Q9F7P4 . "RecName: Full=Green-light absorbing proteorhodopsin; Short=GPR; Flags: Precursor" . . . . . 95.06 249 99.57 99.57 2.67e-161 . . . . 17327 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 18 MET . 17327 1 2 19 GLY . 17327 1 3 20 GLY . 17327 1 4 21 GLY . 17327 1 5 22 ASP . 17327 1 6 23 LEU . 17327 1 7 24 ASP . 17327 1 8 25 ALA . 17327 1 9 26 SER . 17327 1 10 27 ASP . 17327 1 11 28 TYR . 17327 1 12 29 THR . 17327 1 13 30 GLY . 17327 1 14 31 VAL . 17327 1 15 32 SER . 17327 1 16 33 PHE . 17327 1 17 34 TRP . 17327 1 18 35 LEU . 17327 1 19 36 VAL . 17327 1 20 37 THR . 17327 1 21 38 ALA . 17327 1 22 39 ALA . 17327 1 23 40 LEU . 17327 1 24 41 LEU . 17327 1 25 42 ALA . 17327 1 26 43 SER . 17327 1 27 44 THR . 17327 1 28 45 VAL . 17327 1 29 46 PHE . 17327 1 30 47 PHE . 17327 1 31 48 PHE . 17327 1 32 49 VAL . 17327 1 33 50 GLU . 17327 1 34 51 ARG . 17327 1 35 52 ASP . 17327 1 36 53 ARG . 17327 1 37 54 VAL . 17327 1 38 55 SER . 17327 1 39 56 ALA . 17327 1 40 57 LYS . 17327 1 41 58 TRP . 17327 1 42 59 LYS . 17327 1 43 60 THR . 17327 1 44 61 SER . 17327 1 45 62 LEU . 17327 1 46 63 THR . 17327 1 47 64 VAL . 17327 1 48 65 SER . 17327 1 49 66 GLY . 17327 1 50 67 LEU . 17327 1 51 68 VAL . 17327 1 52 69 THR . 17327 1 53 70 GLY . 17327 1 54 71 ILE . 17327 1 55 72 ALA . 17327 1 56 73 PHE . 17327 1 57 74 TRP . 17327 1 58 75 HIS . 17327 1 59 76 TYR . 17327 1 60 77 MET . 17327 1 61 78 TYR . 17327 1 62 79 MET . 17327 1 63 80 ARG . 17327 1 64 81 GLY . 17327 1 65 82 VAL . 17327 1 66 83 TRP . 17327 1 67 84 ILE . 17327 1 68 85 GLU . 17327 1 69 86 THR . 17327 1 70 87 GLY . 17327 1 71 88 ASP . 17327 1 72 89 SER . 17327 1 73 90 PRO . 17327 1 74 91 THR . 17327 1 75 92 VAL . 17327 1 76 93 PHE . 17327 1 77 94 ARG . 17327 1 78 95 TYR . 17327 1 79 96 ILE . 17327 1 80 97 ASP . 17327 1 81 98 TRP . 17327 1 82 99 LEU . 17327 1 83 100 LEU . 17327 1 84 101 THR . 17327 1 85 102 VAL . 17327 1 86 103 PRO . 17327 1 87 104 LEU . 17327 1 88 105 LEU . 17327 1 89 106 ILE . 17327 1 90 107 CYS . 17327 1 91 108 GLU . 17327 1 92 109 PHE . 17327 1 93 110 TYR . 17327 1 94 111 LEU . 17327 1 95 112 ILE . 17327 1 96 113 LEU . 17327 1 97 114 ALA . 17327 1 98 115 ALA . 17327 1 99 116 ALA . 17327 1 100 117 THR . 17327 1 101 118 ASN . 17327 1 102 119 VAL . 17327 1 103 120 ALA . 17327 1 104 121 GLY . 17327 1 105 122 SER . 17327 1 106 123 LEU . 17327 1 107 124 PHE . 17327 1 108 125 LYS . 17327 1 109 126 LYS . 17327 1 110 127 LEU . 17327 1 111 128 LEU . 17327 1 112 129 VAL . 17327 1 113 130 GLY . 17327 1 114 131 SER . 17327 1 115 132 LEU . 17327 1 116 133 VAL . 17327 1 117 134 MET . 17327 1 118 135 LEU . 17327 1 119 136 VAL . 17327 1 120 137 PHE . 17327 1 121 138 GLY . 17327 1 122 139 TYR . 17327 1 123 140 MET . 17327 1 124 141 GLY . 17327 1 125 142 GLU . 17327 1 126 143 ALA . 17327 1 127 144 GLY . 17327 1 128 145 ILE . 17327 1 129 146 MET . 17327 1 130 147 ALA . 17327 1 131 148 ALA . 17327 1 132 149 TRP . 17327 1 133 150 PRO . 17327 1 134 151 ALA . 17327 1 135 152 PHE . 17327 1 136 153 ILE . 17327 1 137 154 ILE . 17327 1 138 155 GLY . 17327 1 139 156 CYS . 17327 1 140 157 LEU . 17327 1 141 158 ALA . 17327 1 142 159 TRP . 17327 1 143 160 VAL . 17327 1 144 161 TYR . 17327 1 145 162 MET . 17327 1 146 163 ILE . 17327 1 147 164 TYR . 17327 1 148 165 GLU . 17327 1 149 166 LEU . 17327 1 150 167 TRP . 17327 1 151 168 ALA . 17327 1 152 169 GLY . 17327 1 153 170 GLU . 17327 1 154 171 GLY . 17327 1 155 172 LYS . 17327 1 156 173 SER . 17327 1 157 174 ALA . 17327 1 158 175 CYS . 17327 1 159 176 ASN . 17327 1 160 177 THR . 17327 1 161 178 ALA . 17327 1 162 179 SER . 17327 1 163 180 PRO . 17327 1 164 181 ALA . 17327 1 165 182 VAL . 17327 1 166 183 GLN . 17327 1 167 184 SER . 17327 1 168 185 ALA . 17327 1 169 186 TYR . 17327 1 170 187 ASN . 17327 1 171 188 THR . 17327 1 172 189 MET . 17327 1 173 190 MET . 17327 1 174 191 TYR . 17327 1 175 192 ILE . 17327 1 176 193 ILE . 17327 1 177 194 ILE . 17327 1 178 195 PHE . 17327 1 179 196 GLY . 17327 1 180 197 TRP . 17327 1 181 198 ALA . 17327 1 182 199 ILE . 17327 1 183 200 TYR . 17327 1 184 201 PRO . 17327 1 185 202 VAL . 17327 1 186 203 GLY . 17327 1 187 204 TYR . 17327 1 188 205 PHE . 17327 1 189 206 THR . 17327 1 190 207 GLY . 17327 1 191 208 TYR . 17327 1 192 209 LEU . 17327 1 193 210 MET . 17327 1 194 211 GLY . 17327 1 195 212 ASP . 17327 1 196 213 GLY . 17327 1 197 214 GLY . 17327 1 198 215 SER . 17327 1 199 216 ALA . 17327 1 200 217 LEU . 17327 1 201 218 ASN . 17327 1 202 219 LEU . 17327 1 203 220 ASN . 17327 1 204 221 LEU . 17327 1 205 222 ILE . 17327 1 206 223 TYR . 17327 1 207 224 ASN . 17327 1 208 225 LEU . 17327 1 209 226 ALA . 17327 1 210 227 ASP . 17327 1 211 228 PHE . 17327 1 212 229 VAL . 17327 1 213 230 ASN . 17327 1 214 231 LYR . 17327 1 215 232 ILE . 17327 1 216 233 LEU . 17327 1 217 234 PHE . 17327 1 218 235 GLY . 17327 1 219 236 LEU . 17327 1 220 237 ILE . 17327 1 221 238 ILE . 17327 1 222 239 TRP . 17327 1 223 240 ASN . 17327 1 224 241 VAL . 17327 1 225 242 ALA . 17327 1 226 243 VAL . 17327 1 227 244 LYS . 17327 1 228 245 GLU . 17327 1 229 246 SER . 17327 1 230 247 SER . 17327 1 231 248 ASN . 17327 1 232 249 ALA . 17327 1 233 250 PRO . 17327 1 234 251 GLY . 17327 1 235 252 GLY . 17327 1 236 253 GLY . 17327 1 237 254 SER . 17327 1 238 255 HIS . 17327 1 239 256 HIS . 17327 1 240 257 HIS . 17327 1 241 258 HIS . 17327 1 242 259 HIS . 17327 1 243 260 HIS . 17327 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 17327 1 . GLY 2 2 17327 1 . GLY 3 3 17327 1 . GLY 4 4 17327 1 . ASP 5 5 17327 1 . LEU 6 6 17327 1 . ASP 7 7 17327 1 . ALA 8 8 17327 1 . SER 9 9 17327 1 . ASP 10 10 17327 1 . TYR 11 11 17327 1 . THR 12 12 17327 1 . GLY 13 13 17327 1 . VAL 14 14 17327 1 . SER 15 15 17327 1 . PHE 16 16 17327 1 . TRP 17 17 17327 1 . LEU 18 18 17327 1 . VAL 19 19 17327 1 . THR 20 20 17327 1 . ALA 21 21 17327 1 . ALA 22 22 17327 1 . LEU 23 23 17327 1 . LEU 24 24 17327 1 . ALA 25 25 17327 1 . SER 26 26 17327 1 . THR 27 27 17327 1 . VAL 28 28 17327 1 . PHE 29 29 17327 1 . PHE 30 30 17327 1 . PHE 31 31 17327 1 . VAL 32 32 17327 1 . GLU 33 33 17327 1 . ARG 34 34 17327 1 . ASP 35 35 17327 1 . ARG 36 36 17327 1 . VAL 37 37 17327 1 . SER 38 38 17327 1 . ALA 39 39 17327 1 . LYS 40 40 17327 1 . TRP 41 41 17327 1 . LYS 42 42 17327 1 . THR 43 43 17327 1 . SER 44 44 17327 1 . LEU 45 45 17327 1 . THR 46 46 17327 1 . VAL 47 47 17327 1 . SER 48 48 17327 1 . GLY 49 49 17327 1 . LEU 50 50 17327 1 . VAL 51 51 17327 1 . THR 52 52 17327 1 . GLY 53 53 17327 1 . ILE 54 54 17327 1 . ALA 55 55 17327 1 . PHE 56 56 17327 1 . TRP 57 57 17327 1 . HIS 58 58 17327 1 . TYR 59 59 17327 1 . MET 60 60 17327 1 . TYR 61 61 17327 1 . MET 62 62 17327 1 . ARG 63 63 17327 1 . GLY 64 64 17327 1 . VAL 65 65 17327 1 . TRP 66 66 17327 1 . ILE 67 67 17327 1 . GLU 68 68 17327 1 . THR 69 69 17327 1 . GLY 70 70 17327 1 . ASP 71 71 17327 1 . SER 72 72 17327 1 . PRO 73 73 17327 1 . THR 74 74 17327 1 . VAL 75 75 17327 1 . PHE 76 76 17327 1 . ARG 77 77 17327 1 . TYR 78 78 17327 1 . ILE 79 79 17327 1 . ASP 80 80 17327 1 . TRP 81 81 17327 1 . LEU 82 82 17327 1 . LEU 83 83 17327 1 . THR 84 84 17327 1 . VAL 85 85 17327 1 . PRO 86 86 17327 1 . LEU 87 87 17327 1 . LEU 88 88 17327 1 . ILE 89 89 17327 1 . CYS 90 90 17327 1 . GLU 91 91 17327 1 . PHE 92 92 17327 1 . TYR 93 93 17327 1 . LEU 94 94 17327 1 . ILE 95 95 17327 1 . LEU 96 96 17327 1 . ALA 97 97 17327 1 . ALA 98 98 17327 1 . ALA 99 99 17327 1 . THR 100 100 17327 1 . ASN 101 101 17327 1 . VAL 102 102 17327 1 . ALA 103 103 17327 1 . GLY 104 104 17327 1 . SER 105 105 17327 1 . LEU 106 106 17327 1 . PHE 107 107 17327 1 . LYS 108 108 17327 1 . LYS 109 109 17327 1 . LEU 110 110 17327 1 . LEU 111 111 17327 1 . VAL 112 112 17327 1 . GLY 113 113 17327 1 . SER 114 114 17327 1 . LEU 115 115 17327 1 . VAL 116 116 17327 1 . MET 117 117 17327 1 . LEU 118 118 17327 1 . VAL 119 119 17327 1 . PHE 120 120 17327 1 . GLY 121 121 17327 1 . TYR 122 122 17327 1 . MET 123 123 17327 1 . GLY 124 124 17327 1 . GLU 125 125 17327 1 . ALA 126 126 17327 1 . GLY 127 127 17327 1 . ILE 128 128 17327 1 . MET 129 129 17327 1 . ALA 130 130 17327 1 . ALA 131 131 17327 1 . TRP 132 132 17327 1 . PRO 133 133 17327 1 . ALA 134 134 17327 1 . PHE 135 135 17327 1 . ILE 136 136 17327 1 . ILE 137 137 17327 1 . GLY 138 138 17327 1 . CYS 139 139 17327 1 . LEU 140 140 17327 1 . ALA 141 141 17327 1 . TRP 142 142 17327 1 . VAL 143 143 17327 1 . TYR 144 144 17327 1 . MET 145 145 17327 1 . ILE 146 146 17327 1 . TYR 147 147 17327 1 . GLU 148 148 17327 1 . LEU 149 149 17327 1 . TRP 150 150 17327 1 . ALA 151 151 17327 1 . GLY 152 152 17327 1 . GLU 153 153 17327 1 . GLY 154 154 17327 1 . LYS 155 155 17327 1 . SER 156 156 17327 1 . ALA 157 157 17327 1 . CYS 158 158 17327 1 . ASN 159 159 17327 1 . THR 160 160 17327 1 . ALA 161 161 17327 1 . SER 162 162 17327 1 . PRO 163 163 17327 1 . ALA 164 164 17327 1 . VAL 165 165 17327 1 . GLN 166 166 17327 1 . SER 167 167 17327 1 . ALA 168 168 17327 1 . TYR 169 169 17327 1 . ASN 170 170 17327 1 . THR 171 171 17327 1 . MET 172 172 17327 1 . MET 173 173 17327 1 . TYR 174 174 17327 1 . ILE 175 175 17327 1 . ILE 176 176 17327 1 . ILE 177 177 17327 1 . PHE 178 178 17327 1 . GLY 179 179 17327 1 . TRP 180 180 17327 1 . ALA 181 181 17327 1 . ILE 182 182 17327 1 . TYR 183 183 17327 1 . PRO 184 184 17327 1 . VAL 185 185 17327 1 . GLY 186 186 17327 1 . TYR 187 187 17327 1 . PHE 188 188 17327 1 . THR 189 189 17327 1 . GLY 190 190 17327 1 . TYR 191 191 17327 1 . LEU 192 192 17327 1 . MET 193 193 17327 1 . GLY 194 194 17327 1 . ASP 195 195 17327 1 . GLY 196 196 17327 1 . GLY 197 197 17327 1 . SER 198 198 17327 1 . ALA 199 199 17327 1 . LEU 200 200 17327 1 . ASN 201 201 17327 1 . LEU 202 202 17327 1 . ASN 203 203 17327 1 . LEU 204 204 17327 1 . ILE 205 205 17327 1 . TYR 206 206 17327 1 . ASN 207 207 17327 1 . LEU 208 208 17327 1 . ALA 209 209 17327 1 . ASP 210 210 17327 1 . PHE 211 211 17327 1 . VAL 212 212 17327 1 . ASN 213 213 17327 1 . LYR 214 214 17327 1 . ILE 215 215 17327 1 . LEU 216 216 17327 1 . PHE 217 217 17327 1 . GLY 218 218 17327 1 . LEU 219 219 17327 1 . ILE 220 220 17327 1 . ILE 221 221 17327 1 . TRP 222 222 17327 1 . ASN 223 223 17327 1 . VAL 224 224 17327 1 . ALA 225 225 17327 1 . VAL 226 226 17327 1 . LYS 227 227 17327 1 . GLU 228 228 17327 1 . SER 229 229 17327 1 . SER 230 230 17327 1 . ASN 231 231 17327 1 . ALA 232 232 17327 1 . PRO 233 233 17327 1 . GLY 234 234 17327 1 . GLY 235 235 17327 1 . GLY 236 236 17327 1 . SER 237 237 17327 1 . HIS 238 238 17327 1 . HIS 239 239 17327 1 . HIS 240 240 17327 1 . HIS 241 241 17327 1 . HIS 242 242 17327 1 . HIS 243 243 17327 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 17327 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $proteorhodopsin . 86473 organism . Gamma-proteobacterium Gamma-proteobacterium . . bacteria . . 'Gamma Proteobacterial sp.' EBAC31A08 . . . . . . . . . . . . . . . . . . . . 17327 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 17327 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $proteorhodopsin . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . pIVEX2.3d . . . . . . 17327 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_LYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_LYR _Chem_comp.Entry_ID 17327 _Chem_comp.ID LYR _Chem_comp.Provenance PDB _Chem_comp.Name N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code LYR _Chem_comp.PDB_code LYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code LYR _Chem_comp.Number_atoms_all 72 _Chem_comp.Number_atoms_nh 30 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C26 H42 N2 O2' _Chem_comp.Formula_weight 414.624 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCNCCCCC(C(=O)O)N)C)C SMILES 'OpenEye OEToolkits' 1.5.0 17327 LYR CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCCCC[C@@H](C(=O)O)N)\C)/C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17327 LYR CC1=C(\C=C\C(C)=C\C=C/C(C)=C/CNCCCC[C@H](N)C(O)=O)C(C)(C)CCC1 SMILES_CANONICAL CACTVS 3.341 17327 LYR CC1=C(C=CC(C)=CC=CC(C)=CCNCCCC[CH](N)C(O)=O)C(C)(C)CCC1 SMILES CACTVS 3.341 17327 LYR FSIGCSBKSBDRLV-GGOCYBHBSA-N InChIKey InChI 1.03 17327 LYR InChI=1S/C26H42N2O2/c1-20(14-15-23-22(3)12-9-17-26(23,4)5)10-8-11-21(2)16-19-28-18-7-6-13-24(27)25(29)30/h8,10-11,14-16,24,28H,6-7,9,12-13,17-19,27H2,1-5H3,(H,29,30)/b11-8-,15-14+,20-10+,21-16+/t24-/m0/s1 InChI InChI 1.03 17327 LYR O=C(O)C(N)CCCCNC/C=C(/C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)C)C SMILES ACDLabs 10.04 17327 LYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-6-[[(2E,4Z,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17327 LYR N~6~-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl]-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 17327 LYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . -4.945 . -5.813 . 4.064 . -6.763 0.638 3.659 1 . 17327 LYR CA CA CA CA . C . . S 0 . . . 1 no no . . . . -4.641 . -5.120 . 5.320 . -5.398 0.694 4.116 2 . 17327 LYR C C C C . C . . N 0 . . . 1 no no . . . . -3.169 . -5.640 . 5.622 . -4.576 1.213 2.952 3 . 17327 LYR O O O O . O . . N 0 . . . 1 no no . . . . -2.607 . -5.077 . 6.618 . -5.003 1.420 1.823 4 . 17327 LYR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -3.270 1.380 3.288 5 . 17327 LYR CB CB CB CB . C . . N 0 . . . 1 no no . . . . -5.636 . -5.379 . 6.401 . -4.876 -0.672 4.563 6 . 17327 LYR CG CG CG CG . C . . N 0 . . . 1 no no . . . . -7.108 . -4.861 . 6.011 . -4.954 -1.769 3.493 7 . 17327 LYR CD CD CD CD . C . . N 0 . . . 1 no no . . . . -8.145 . -4.731 . 7.179 . -4.473 -3.136 3.992 8 . 17327 LYR CE CE CE CE . C . . N 0 . . . 1 no no . . . . -9.617 . -4.341 . 6.747 . -4.498 -4.212 2.904 9 . 17327 LYR NZ NZ NZ NZ . N . . N 0 . . . 1 no no . . . . -9.660 . -3.173 . 5.968 . -3.676 -3.847 1.760 10 . 17327 LYR C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -9.746 . -3.043 . 4.714 . -3.756 -4.865 0.717 11 . 17327 LYR C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -9.876 . -1.701 . 3.936 . -2.920 -4.495 -0.474 12 . 17327 LYR C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -9.746 . -1.485 . 2.680 . -3.301 -4.363 -1.762 13 . 17327 LYR C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -9.487 . -2.653 . 1.685 . -4.716 -4.545 -2.244 14 . 17327 LYR C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -9.746 . -0.144 . 2.160 . -2.284 -4.014 -2.760 15 . 17327 LYR C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -9.183 . 0.374 . 1.079 . -1.278 -3.135 -2.609 16 . 17327 LYR C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -8.233 . -0.274 . 0.040 . -1.069 -2.391 -1.380 17 . 17327 LYR C80 C80 C80 C80 . C . . N 0 . . . 1 no no . . . . -7.886 . 0.374 . -1.128 . -0.107 -1.485 -1.098 18 . 17327 LYR C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -8.449 . 1.716 . -1.561 . 0.915 -1.165 -2.164 19 . 17327 LYR C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -6.847 . -0.274 . -2.036 . 0.015 -0.787 0.182 20 . 17327 LYR C10 C10 C10 C10 . C . . N 0 . . . 1 no no . . . . -6.329 . 0.331 . -3.032 . 0.952 0.118 0.508 21 . 17327 LYR C11 C11 C11 C11 . C . . N 0 . . . 1 no no . . . . -4.945 . -0.015 . -3.638 . 1.010 0.772 1.805 22 . 17327 LYR C12 C12 C12 C12 . C . . N 0 . . . 1 no no . . . . -4.554 . -1.269 . -3.983 . 0.763 0.106 2.961 23 . 17327 LYR C13 C13 C13 C13 . C . . N 0 . . . 1 no no . . . . -5.334 . -2.611 . -3.897 . 0.327 -1.336 3.073 24 . 17327 LYR C14 C14 C14 C14 . C . . N 0 . . . 1 no no . . . . -3.169 . -1.659 . -4.460 . 0.903 0.758 4.322 25 . 17327 LYR C15 C15 C15 C15 . C . . N 0 . . . 1 no no . . . . -2.088 . -0.533 . -4.070 . 1.637 2.091 4.314 26 . 17327 LYR C16 C16 C16 C16 . C . . N 0 . . . 1 no no . . . . -2.651 . 0.808 . -4.417 . 1.149 2.946 3.158 27 . 17327 LYR C17 C17 C17 C17 . C . . N 0 . . . 1 no no . . . . -4.035 . 1.240 . -3.854 . 1.398 2.270 1.782 28 . 17327 LYR C18 C18 C18 C18 . C . . N 0 . . . 1 no no . . . . -3.732 . 1.889 . -2.470 . 0.560 3.072 0.755 29 . 17327 LYR C19 C19 C19 C19 . C . . N 0 . . . 1 no no . . . . -4.727 . 2.193 . -4.806 . 2.893 2.412 1.414 30 . 17327 LYR H H H H . H . . N 0 . . . 1 no no . . . . -4.647 . -5.251 . 3.293 . -7.012 1.103 2.802 31 . 17327 LYR H2 H2 H2 HN2 . H . . N 0 . . . 1 no yes . . . . -5.930 . -5.971 . 4.000 . -7.478 0.319 4.292 32 . 17327 LYR HA HA HA HA . H . . N 0 . . . 1 no no . . . . -4.699 . -4.023 . 5.255 . -5.376 1.431 4.924 33 . 17327 LYR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 0.879 . -0.311 . 0.180 . -2.686 1.680 2.560 34 . 17327 LYR HB2 HB2 HB2 HB1 . H . . N 0 . . . 1 no no . . . . -5.311 . -4.832 . 7.298 . -3.827 -0.576 4.876 35 . 17327 LYR HB3 HB3 HB3 HB2 . H . . N 0 . . . 1 no no . . . . -5.683 . -6.463 . 6.581 . -5.427 -1.002 5.453 36 . 17327 LYR HG2 HG2 HG2 HG1 . H . . N 0 . . . 1 no no . . . . -7.519 . -5.629 . 5.340 . -4.330 -1.459 2.646 37 . 17327 LYR HG3 HG3 HG3 HG2 . H . . N 0 . . . 1 no no . . . . -6.992 . -3.860 . 5.569 . -5.980 -1.843 3.115 38 . 17327 LYR HD2 HD2 HD2 HD1 . H . . N 0 . . . 1 no no . . . . -7.786 . -3.908 . 7.814 . -5.085 -3.466 4.840 39 . 17327 LYR HD3 HD3 HD3 HD2 . H . . N 0 . . . 1 no no . . . . -8.197 . -5.706 . 7.685 . -3.444 -3.043 4.362 40 . 17327 LYR HE2 HE2 HE2 HE1 . H . . N 0 . . . 1 no no . . . . -10.196 . -4.154 . 7.663 . -4.146 -5.165 3.311 41 . 17327 LYR HE3 HE3 HE3 HE2 . H . . N 0 . . . 1 no no . . . . -10.037 . -5.169 . 6.156 . -5.530 -4.360 2.569 42 . 17327 LYR HZ HZ HZ HZ . H . . N 0 . . . 1 no no . . . . -10.477 . -2.704 . 6.303 . -2.706 -3.752 2.057 43 . 17327 LYR H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -8.864 . -3.571 . 4.283 . -4.805 -5.045 0.473 44 . 17327 LYR H11 H11 H11 1H1 . H . . N 0 . . . 1 no no . . . . -10.604 . -3.677 . 4.391 . -3.367 -5.807 1.121 45 . 17327 LYR HC2 HC2 HC2 H2 . H . . N 0 . . . 1 no no . . . . -10.107 . -0.834 . 4.537 . -1.868 -4.339 -0.229 46 . 17327 LYR H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . -10.056 . -2.479 . 0.760 . -4.776 -5.382 -2.949 47 . 17327 LYR H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . -9.808 . -3.601 . 2.141 . -5.072 -3.638 -2.745 48 . 17327 LYR H43 H43 H43 3H4 . H . . N 0 . . . 1 no no . . . . -8.414 . -2.704 . 1.450 . -5.429 -4.753 -1.445 49 . 17327 LYR H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -10.303 . 0.565 . 2.755 . -2.373 -4.530 -3.716 50 . 17327 LYR H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -9.424 . 1.410 . 0.892 . -0.586 -2.963 -3.425 51 . 17327 LYR H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . -7.832 . -1.258 . 0.235 . -1.798 -2.610 -0.599 52 . 17327 LYR H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . -8.008 . 2.004 . -2.527 . 0.748 -1.733 -3.087 53 . 17327 LYR H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . -8.206 . 2.477 . -0.805 . 1.926 -1.409 -1.819 54 . 17327 LYR H83 H83 H83 3H8 . H . . N 0 . . . 1 no no . . . . -9.541 . 1.639 . -1.666 . 0.877 -0.103 -2.432 55 . 17327 LYR H9 H9 H9 H9 . H . . N 0 . . . 1 no no . . . . -6.537 . -1.287 . -1.827 . -0.726 -1.027 0.941 56 . 17327 LYR H10 H10 H10 H10 . H . . N 0 . . . 1 no no . . . . -6.891 . 1.136 . -3.482 . 1.728 0.414 -0.191 57 . 17327 LYR H131 H131 H131 1H13 . H . . N 0 . . . 0 no no . . . . -5.991 . -2.710 . -4.774 . 0.850 -1.798 3.903 58 . 17327 LYR H132 H132 H132 2H13 . H . . N 0 . . . 0 no no . . . . -5.941 . -2.624 . -2.980 . 0.567 -1.849 2.148 59 . 17327 LYR H133 H133 H133 3H13 . H . . N 0 . . . 0 no no . . . . -4.622 . -3.449 . -3.877 . -0.743 -1.368 3.242 60 . 17327 LYR H141 H141 H141 1H14 . H . . N 0 . . . 0 no no . . . . -3.190 . -1.762 . -5.555 . -0.103 0.900 4.737 61 . 17327 LYR H142 H142 H142 2H14 . H . . N 0 . . . 0 no no . . . . -2.882 . -2.610 . -3.987 . 1.435 0.080 5.001 62 . 17327 LYR H151 H151 H151 1H15 . H . . N 0 . . . 0 no no . . . . -1.153 . -0.702 . -4.623 . 1.472 2.609 5.265 63 . 17327 LYR H152 H152 H152 2H15 . H . . N 0 . . . 0 no no . . . . -1.875 . -0.579 . -2.992 . 2.717 1.923 4.228 64 . 17327 LYR H161 H161 H161 1H16 . H . . N 0 . . . 0 no no . . . . -2.820 . 0.745 . -5.502 . 0.076 3.139 3.291 65 . 17327 LYR H162 H162 H162 2H16 . H . . N 0 . . . 0 no no . . . . -1.926 . 1.548 . -4.047 . 1.645 3.925 3.191 66 . 17327 LYR H181 H181 H181 1H18 . H . . N 0 . . . 0 no no . . . . -4.087 . 1.225 . -1.668 . 1.023 4.044 0.558 67 . 17327 LYR H182 H182 H182 2H18 . H . . N 0 . . . 0 no no . . . . -4.247 . 2.858 . -2.399 . 0.487 2.528 -0.191 68 . 17327 LYR H183 H183 H183 3H18 . H . . N 0 . . . 0 no no . . . . -2.648 . 2.042 . -2.366 . -0.452 3.243 1.134 69 . 17327 LYR H191 H191 H191 1H19 . H . . N 0 . . . 0 no no . . . . -4.143 . 2.271 . -5.735 . 3.079 3.373 0.926 70 . 17327 LYR H192 H192 H192 2H19 . H . . N 0 . . . 0 no no . . . . -4.807 . 3.185 . -4.338 . 3.516 2.354 2.311 71 . 17327 LYR H193 H193 H193 3H19 . H . . N 0 . . . 0 no no . . . . -5.734 . 1.815 . -5.037 . 3.198 1.614 0.730 72 . 17327 LYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 17327 LYR 2 . SING N H no N 2 . 17327 LYR 3 . SING N H2 no N 3 . 17327 LYR 4 . SING CA C no N 4 . 17327 LYR 5 . SING CA CB no N 5 . 17327 LYR 6 . SING CA HA no N 6 . 17327 LYR 7 . DOUB C O no N 7 . 17327 LYR 8 . SING C OXT no N 8 . 17327 LYR 9 . SING OXT HXT no N 9 . 17327 LYR 10 . SING CB CG no N 10 . 17327 LYR 11 . SING CB HB2 no N 11 . 17327 LYR 12 . SING CB HB3 no N 12 . 17327 LYR 13 . SING CG CD no N 13 . 17327 LYR 14 . SING CG HG2 no N 14 . 17327 LYR 15 . SING CG HG3 no N 15 . 17327 LYR 16 . SING CD CE no N 16 . 17327 LYR 17 . SING CD HD2 no N 17 . 17327 LYR 18 . SING CD HD3 no N 18 . 17327 LYR 19 . SING CE NZ no N 19 . 17327 LYR 20 . SING CE HE2 no N 20 . 17327 LYR 21 . SING CE HE3 no N 21 . 17327 LYR 22 . SING NZ C1 no N 22 . 17327 LYR 23 . SING NZ HZ no N 23 . 17327 LYR 24 . SING C1 C2 no N 24 . 17327 LYR 25 . SING C1 H1 no N 25 . 17327 LYR 26 . SING C1 H11 no N 26 . 17327 LYR 27 . DOUB C2 C3 no E 27 . 17327 LYR 28 . SING C2 HC2 no N 28 . 17327 LYR 29 . SING C3 C4 no N 29 . 17327 LYR 30 . SING C3 C5 no N 30 . 17327 LYR 31 . SING C4 H41 no N 31 . 17327 LYR 32 . SING C4 H42 no N 32 . 17327 LYR 33 . SING C4 H43 no N 33 . 17327 LYR 34 . DOUB C5 C6 no Z 34 . 17327 LYR 35 . SING C5 H5 no N 35 . 17327 LYR 36 . SING C6 C7 no N 36 . 17327 LYR 37 . SING C6 H6 no N 37 . 17327 LYR 38 . DOUB C7 C80 no E 38 . 17327 LYR 39 . SING C7 H7 no N 39 . 17327 LYR 40 . SING C80 C8 no N 40 . 17327 LYR 41 . SING C80 C9 no N 41 . 17327 LYR 42 . SING C8 H81 no N 42 . 17327 LYR 43 . SING C8 H82 no N 43 . 17327 LYR 44 . SING C8 H83 no N 44 . 17327 LYR 45 . DOUB C9 C10 no E 45 . 17327 LYR 46 . SING C9 H9 no N 46 . 17327 LYR 47 . SING C10 C11 no N 47 . 17327 LYR 48 . SING C10 H10 no N 48 . 17327 LYR 49 . DOUB C11 C12 no N 49 . 17327 LYR 50 . SING C11 C17 no N 50 . 17327 LYR 51 . SING C12 C13 no N 51 . 17327 LYR 52 . SING C12 C14 no N 52 . 17327 LYR 53 . SING C13 H131 no N 53 . 17327 LYR 54 . SING C13 H132 no N 54 . 17327 LYR 55 . SING C13 H133 no N 55 . 17327 LYR 56 . SING C14 C15 no N 56 . 17327 LYR 57 . SING C14 H141 no N 57 . 17327 LYR 58 . SING C14 H142 no N 58 . 17327 LYR 59 . SING C15 C16 no N 59 . 17327 LYR 60 . SING C15 H151 no N 60 . 17327 LYR 61 . SING C15 H152 no N 61 . 17327 LYR 62 . SING C16 C17 no N 62 . 17327 LYR 63 . SING C16 H161 no N 63 . 17327 LYR 64 . SING C16 H162 no N 64 . 17327 LYR 65 . SING C17 C18 no N 65 . 17327 LYR 66 . SING C17 C19 no N 66 . 17327 LYR 67 . SING C18 H181 no N 67 . 17327 LYR 68 . SING C18 H182 no N 68 . 17327 LYR 69 . SING C18 H183 no N 69 . 17327 LYR 70 . SING C19 H191 no N 70 . 17327 LYR 71 . SING C19 H192 no N 71 . 17327 LYR 72 . SING C19 H193 no N 72 . 17327 LYR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17327 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 proteorhodopsin '[U-13C; U-15N]' . . 1 $proteorhodopsin . . 300 . . uM . . . . 17327 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17327 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17327 1 4 NaOAc 'natural abundance' . . . . . . 25 . . mM . . . . 17327 1 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17327 1 6 diC7PC 'natural abundance' . . . . . . 2 . . % . . . . 17327 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17327 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 proteorhodopsin '[U-13C; U-15N; U-2H]' . . 1 $proteorhodopsin . . 300 . . uM . . . . 17327 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17327 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17327 2 4 NaOAc 'natural abundance' . . . . . . 25 . . mM . . . . 17327 2 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17327 2 6 diC7PC 'natural abundance' . . . . . . 2 . . % . . . . 17327 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17327 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 proteorhodopsin '[U-15N; U-2H]' . . 1 $proteorhodopsin . . 300 . . uM . . . . 17327 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17327 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17327 3 4 NaOAc 'natural abundance' . . . . . . 25 . . mM . . . . 17327 3 5 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17327 3 6 diC7PC 'natural abundance' . . . . . . 2 . . % . . . . 17327 3 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 17327 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM NaOAc pH5, 2 mM DTT, ~2% diC7PC' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.025 . M 17327 1 pH 5 . pH 17327 1 pressure 1 . atm 17327 1 temperature 323 . K 17327 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17327 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17327 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17327 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17327 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17327 2 'data analysis' 17327 2 processing 17327 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17327 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17327 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17327 3 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 17327 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17327 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17327 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17327 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 17327 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 17327 1 2 spectrometer_2 Bruker Avance . 800 . . . 17327 1 3 spectrometer_3 Bruker Avance . 900 . . . 17327 1 4 spectrometer_4 Bruker Avance . 950 . . . 17327 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 17327 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 1 6 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17327 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 17327 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 17327 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 17327 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 17327 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 17327 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17327 1 3 '3D HNCA' . . . 17327 1 4 '3D HNCACB' . . . 17327 1 5 '3D HNCO' . . . 17327 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLY H H 1 8.402 0.020 . 1 . . . . 21 GLY H . 17327 1 2 . 1 1 4 4 GLY C C 13 173.745 0.400 . 1 . . . . 21 GLY C . 17327 1 3 . 1 1 4 4 GLY CA C 13 45.630 0.400 . 1 . . . . 21 GLY CA . 17327 1 4 . 1 1 4 4 GLY N N 15 109.173 0.400 . 1 . . . . 21 GLY N . 17327 1 5 . 1 1 5 5 ASP H H 1 8.114 0.020 . 1 . . . . 22 ASP H . 17327 1 6 . 1 1 5 5 ASP HA H 1 4.638 0.020 . 1 . . . . 22 ASP HA . 17327 1 7 . 1 1 5 5 ASP C C 13 176.018 0.400 . 1 . . . . 22 ASP C . 17327 1 8 . 1 1 5 5 ASP CA C 13 54.232 0.400 . 1 . . . . 22 ASP CA . 17327 1 9 . 1 1 5 5 ASP CB C 13 40.681 0.400 . 1 . . . . 22 ASP CB . 17327 1 10 . 1 1 5 5 ASP N N 15 119.799 0.400 . 1 . . . . 22 ASP N . 17327 1 11 . 1 1 6 6 LEU H H 1 7.950 0.020 . 1 . . . . 23 LEU H . 17327 1 12 . 1 1 6 6 LEU HA H 1 4.309 0.020 . 1 . . . . 23 LEU HA . 17327 1 13 . 1 1 6 6 LEU HB2 H 1 1.570 0.020 . 1 . . . . 23 LEU HB2 . 17327 1 14 . 1 1 6 6 LEU HB3 H 1 1.570 0.020 . 1 . . . . 23 LEU HB3 . 17327 1 15 . 1 1 6 6 LEU HG H 1 1.770 0.020 . 1 . . . . 23 LEU HG . 17327 1 16 . 1 1 6 6 LEU HD11 H 1 0.809 0.020 . 2 . . . . 23 LEU HD11 . 17327 1 17 . 1 1 6 6 LEU HD12 H 1 0.809 0.020 . 2 . . . . 23 LEU HD12 . 17327 1 18 . 1 1 6 6 LEU HD13 H 1 0.809 0.020 . 2 . . . . 23 LEU HD13 . 17327 1 19 . 1 1 6 6 LEU HD21 H 1 0.781 0.020 . 2 . . . . 23 LEU HD21 . 17327 1 20 . 1 1 6 6 LEU HD22 H 1 0.781 0.020 . 2 . . . . 23 LEU HD22 . 17327 1 21 . 1 1 6 6 LEU HD23 H 1 0.781 0.020 . 2 . . . . 23 LEU HD23 . 17327 1 22 . 1 1 6 6 LEU C C 13 176.544 0.400 . 1 . . . . 23 LEU C . 17327 1 23 . 1 1 6 6 LEU CA C 13 55.466 0.400 . 1 . . . . 23 LEU CA . 17327 1 24 . 1 1 6 6 LEU CB C 13 42.662 0.400 . 1 . . . . 23 LEU CB . 17327 1 25 . 1 1 6 6 LEU CG C 13 27.114 0.400 . 1 . . . . 23 LEU CG . 17327 1 26 . 1 1 6 6 LEU CD1 C 13 25.267 0.400 . 1 . . . . 23 LEU CD1 . 17327 1 27 . 1 1 6 6 LEU CD2 C 13 23.803 0.400 . 1 . . . . 23 LEU CD2 . 17327 1 28 . 1 1 6 6 LEU N N 15 121.528 0.400 . 1 . . . . 23 LEU N . 17327 1 29 . 1 1 7 7 ASP H H 1 8.322 0.020 . 1 . . . . 24 ASP H . 17327 1 30 . 1 1 7 7 ASP HA H 1 4.673 0.020 . 1 . . . . 24 ASP HA . 17327 1 31 . 1 1 7 7 ASP HB2 H 1 2.727 0.020 . 1 . . . . 24 ASP HB2 . 17327 1 32 . 1 1 7 7 ASP HB3 H 1 2.727 0.020 . 1 . . . . 24 ASP HB3 . 17327 1 33 . 1 1 7 7 ASP C C 13 176.135 0.400 . 1 . . . . 24 ASP C . 17327 1 34 . 1 1 7 7 ASP CA C 13 53.895 0.400 . 1 . . . . 24 ASP CA . 17327 1 35 . 1 1 7 7 ASP CB C 13 41.335 0.400 . 1 . . . . 24 ASP CB . 17327 1 36 . 1 1 7 7 ASP N N 15 121.292 0.400 . 1 . . . . 24 ASP N . 17327 1 37 . 1 1 8 8 ALA H H 1 8.210 0.020 . 1 . . . . 25 ALA H . 17327 1 38 . 1 1 8 8 ALA HA H 1 4.164 0.020 . 1 . . . . 25 ALA HA . 17327 1 39 . 1 1 8 8 ALA HB1 H 1 1.438 0.020 . 1 . . . . 25 ALA HB1 . 17327 1 40 . 1 1 8 8 ALA HB2 H 1 1.438 0.020 . 1 . . . . 25 ALA HB2 . 17327 1 41 . 1 1 8 8 ALA HB3 H 1 1.438 0.020 . 1 . . . . 25 ALA HB3 . 17327 1 42 . 1 1 8 8 ALA C C 13 177.823 0.400 . 1 . . . . 25 ALA C . 17327 1 43 . 1 1 8 8 ALA CA C 13 53.386 0.400 . 1 . . . . 25 ALA CA . 17327 1 44 . 1 1 8 8 ALA CB C 13 19.138 0.400 . 1 . . . . 25 ALA CB . 17327 1 45 . 1 1 8 8 ALA N N 15 124.364 0.400 . 1 . . . . 25 ALA N . 17327 1 46 . 1 1 9 9 SER H H 1 8.260 0.020 . 1 . . . . 26 SER H . 17327 1 47 . 1 1 9 9 SER HA H 1 4.353 0.020 . 1 . . . . 26 SER HA . 17327 1 48 . 1 1 9 9 SER HB2 H 1 3.893 0.020 . 1 . . . . 26 SER HB2 . 17327 1 49 . 1 1 9 9 SER HB3 H 1 3.893 0.020 . 1 . . . . 26 SER HB3 . 17327 1 50 . 1 1 9 9 SER C C 13 174.764 0.400 . 1 . . . . 26 SER C . 17327 1 51 . 1 1 9 9 SER CA C 13 59.743 0.400 . 1 . . . . 26 SER CA . 17327 1 52 . 1 1 9 9 SER CB C 13 63.628 0.400 . 1 . . . . 26 SER CB . 17327 1 53 . 1 1 9 9 SER N N 15 113.001 0.400 . 1 . . . . 26 SER N . 17327 1 54 . 1 1 10 10 ASP H H 1 7.966 0.020 . 1 . . . . 27 ASP H . 17327 1 55 . 1 1 10 10 ASP HA H 1 4.859 0.020 . 1 . . . . 27 ASP HA . 17327 1 56 . 1 1 10 10 ASP HB2 H 1 2.780 0.020 . 1 . . . . 27 ASP HB2 . 17327 1 57 . 1 1 10 10 ASP HB3 H 1 2.780 0.020 . 1 . . . . 27 ASP HB3 . 17327 1 58 . 1 1 10 10 ASP C C 13 176.783 0.400 . 1 . . . . 27 ASP C . 17327 1 59 . 1 1 10 10 ASP CA C 13 53.656 0.400 . 1 . . . . 27 ASP CA . 17327 1 60 . 1 1 10 10 ASP CB C 13 40.908 0.400 . 1 . . . . 27 ASP CB . 17327 1 61 . 1 1 10 10 ASP N N 15 121.040 0.400 . 1 . . . . 27 ASP N . 17327 1 62 . 1 1 11 11 TYR H H 1 8.151 0.020 . 1 . . . . 28 TYR H . 17327 1 63 . 1 1 11 11 TYR HA H 1 4.353 0.020 . 1 . . . . 28 TYR HA . 17327 1 64 . 1 1 11 11 TYR HB2 H 1 3.076 0.020 . 1 . . . . 28 TYR HB2 . 17327 1 65 . 1 1 11 11 TYR HB3 H 1 3.076 0.020 . 1 . . . . 28 TYR HB3 . 17327 1 66 . 1 1 11 11 TYR C C 13 178.307 0.400 . 1 . . . . 28 TYR C . 17327 1 67 . 1 1 11 11 TYR CA C 13 60.038 0.400 . 1 . . . . 28 TYR CA . 17327 1 68 . 1 1 11 11 TYR CB C 13 37.697 0.400 . 1 . . . . 28 TYR CB . 17327 1 69 . 1 1 11 11 TYR N N 15 120.498 0.400 . 1 . . . . 28 TYR N . 17327 1 70 . 1 1 12 12 THR H H 1 8.473 0.020 . 1 . . . . 29 THR H . 17327 1 71 . 1 1 12 12 THR HG21 H 1 1.256 0.020 . 1 . . . . 29 THR HG21 . 17327 1 72 . 1 1 12 12 THR HG22 H 1 1.256 0.020 . 1 . . . . 29 THR HG22 . 17327 1 73 . 1 1 12 12 THR HG23 H 1 1.256 0.020 . 1 . . . . 29 THR HG23 . 17327 1 74 . 1 1 12 12 THR C C 13 178.200 0.400 . 1 . . . . 29 THR C . 17327 1 75 . 1 1 12 12 THR CA C 13 68.050 0.400 . 1 . . . . 29 THR CA . 17327 1 76 . 1 1 12 12 THR CG2 C 13 23.119 0.400 . 1 . . . . 29 THR CG2 . 17327 1 77 . 1 1 12 12 THR N N 15 118.790 0.400 . 1 . . . . 29 THR N . 17327 1 78 . 1 1 13 13 GLY H H 1 9.093 0.020 . 1 . . . . 30 GLY H . 17327 1 79 . 1 1 13 13 GLY C C 13 177.051 0.400 . 1 . . . . 30 GLY C . 17327 1 80 . 1 1 13 13 GLY CA C 13 48.920 0.400 . 1 . . . . 30 GLY CA . 17327 1 81 . 1 1 13 13 GLY N N 15 114.583 0.400 . 1 . . . . 30 GLY N . 17327 1 82 . 1 1 14 14 VAL H H 1 8.587 0.020 . 1 . . . . 31 VAL H . 17327 1 83 . 1 1 14 14 VAL HA H 1 3.924 0.020 . 1 . . . . 31 VAL HA . 17327 1 84 . 1 1 14 14 VAL HB H 1 2.289 0.020 . 1 . . . . 31 VAL HB . 17327 1 85 . 1 1 14 14 VAL HG11 H 1 0.980 0.020 . 2 . . . . 31 VAL HG11 . 17327 1 86 . 1 1 14 14 VAL HG12 H 1 0.980 0.020 . 2 . . . . 31 VAL HG12 . 17327 1 87 . 1 1 14 14 VAL HG13 H 1 0.980 0.020 . 2 . . . . 31 VAL HG13 . 17327 1 88 . 1 1 14 14 VAL HG21 H 1 1.198 0.020 . 2 . . . . 31 VAL HG21 . 17327 1 89 . 1 1 14 14 VAL HG22 H 1 1.198 0.020 . 2 . . . . 31 VAL HG22 . 17327 1 90 . 1 1 14 14 VAL HG23 H 1 1.198 0.020 . 2 . . . . 31 VAL HG23 . 17327 1 91 . 1 1 14 14 VAL C C 13 178.526 0.400 . 1 . . . . 31 VAL C . 17327 1 92 . 1 1 14 14 VAL CA C 13 66.861 0.400 . 1 . . . . 31 VAL CA . 17327 1 93 . 1 1 14 14 VAL CB C 13 31.570 0.400 . 1 . . . . 31 VAL CB . 17327 1 94 . 1 1 14 14 VAL CG1 C 13 21.656 0.400 . 1 . . . . 31 VAL CG1 . 17327 1 95 . 1 1 14 14 VAL CG2 C 13 23.294 0.400 . 1 . . . . 31 VAL CG2 . 17327 1 96 . 1 1 14 14 VAL N N 15 122.732 0.400 . 1 . . . . 31 VAL N . 17327 1 97 . 1 1 15 15 SER H H 1 8.601 0.020 . 1 . . . . 32 SER H . 17327 1 98 . 1 1 15 15 SER HA H 1 4.033 0.020 . 1 . . . . 32 SER HA . 17327 1 99 . 1 1 15 15 SER C C 13 175.788 0.400 . 1 . . . . 32 SER C . 17327 1 100 . 1 1 15 15 SER CA C 13 63.180 0.400 . 1 . . . . 32 SER CA . 17327 1 101 . 1 1 15 15 SER N N 15 116.638 0.400 . 1 . . . . 32 SER N . 17327 1 102 . 1 1 16 16 PHE H H 1 7.895 0.020 . 1 . . . . 33 PHE H . 17327 1 103 . 1 1 16 16 PHE HA H 1 4.395 0.020 . 1 . . . . 33 PHE HA . 17327 1 104 . 1 1 16 16 PHE C C 13 179.428 0.400 . 1 . . . . 33 PHE C . 17327 1 105 . 1 1 16 16 PHE CA C 13 63.727 0.400 . 1 . . . . 33 PHE CA . 17327 1 106 . 1 1 16 16 PHE CB C 13 39.928 0.400 . 1 . . . . 33 PHE CB . 17327 1 107 . 1 1 16 16 PHE N N 15 120.585 0.400 . 1 . . . . 33 PHE N . 17327 1 108 . 1 1 17 17 TRP H H 1 8.030 0.020 . 1 . . . . 34 TRP H . 17327 1 109 . 1 1 17 17 TRP HA H 1 3.966 0.020 . 1 . . . . 34 TRP HA . 17327 1 110 . 1 1 17 17 TRP HD1 H 1 7.299 0.020 . 1 . . . . 34 TRP HD1 . 17327 1 111 . 1 1 17 17 TRP HE3 H 1 7.441 0.020 . 1 . . . . 34 TRP HE3 . 17327 1 112 . 1 1 17 17 TRP HZ2 H 1 7.465 0.020 . 1 . . . . 34 TRP HZ2 . 17327 1 113 . 1 1 17 17 TRP HZ3 H 1 6.926 0.020 . 1 . . . . 34 TRP HZ3 . 17327 1 114 . 1 1 17 17 TRP HH2 H 1 7.085 0.020 . 1 . . . . 34 TRP HH2 . 17327 1 115 . 1 1 17 17 TRP C C 13 177.411 0.400 . 1 . . . . 34 TRP C . 17327 1 116 . 1 1 17 17 TRP CA C 13 62.304 0.400 . 1 . . . . 34 TRP CA . 17327 1 117 . 1 1 17 17 TRP CB C 13 30.230 0.400 . 1 . . . . 34 TRP CB . 17327 1 118 . 1 1 17 17 TRP CD1 C 13 127.449 0.400 . 1 . . . . 34 TRP CD1 . 17327 1 119 . 1 1 17 17 TRP CE3 C 13 120.229 0.400 . 1 . . . . 34 TRP CE3 . 17327 1 120 . 1 1 17 17 TRP CZ2 C 13 114.608 0.400 . 1 . . . . 34 TRP CZ2 . 17327 1 121 . 1 1 17 17 TRP CZ3 C 13 121.032 0.400 . 1 . . . . 34 TRP CZ3 . 17327 1 122 . 1 1 17 17 TRP CH2 C 13 123.918 0.400 . 1 . . . . 34 TRP CH2 . 17327 1 123 . 1 1 17 17 TRP N N 15 122.338 0.400 . 1 . . . . 34 TRP N . 17327 1 124 . 1 1 17 17 TRP NE1 N 15 129.300 0.400 . 1 . . . . 34 TRP NE1 . 17327 1 125 . 1 1 18 18 LEU H H 1 8.809 0.020 . 1 . . . . 35 LEU H . 17327 1 126 . 1 1 18 18 LEU HA H 1 3.997 0.020 . 1 . . . . 35 LEU HA . 17327 1 127 . 1 1 18 18 LEU C C 13 178.538 0.400 . 1 . . . . 35 LEU C . 17327 1 128 . 1 1 18 18 LEU CA C 13 58.529 0.400 . 1 . . . . 35 LEU CA . 17327 1 129 . 1 1 18 18 LEU CB C 13 42.885 0.400 . 1 . . . . 35 LEU CB . 17327 1 130 . 1 1 18 18 LEU N N 15 117.856 0.400 . 1 . . . . 35 LEU N . 17327 1 131 . 1 1 19 19 VAL H H 1 8.261 0.020 . 1 . . . . 36 VAL H . 17327 1 132 . 1 1 19 19 VAL HA H 1 3.503 0.020 . 1 . . . . 36 VAL HA . 17327 1 133 . 1 1 19 19 VAL HG11 H 1 0.850 0.020 . 2 . . . . 36 VAL HG11 . 17327 1 134 . 1 1 19 19 VAL HG12 H 1 0.850 0.020 . 2 . . . . 36 VAL HG12 . 17327 1 135 . 1 1 19 19 VAL HG13 H 1 0.850 0.020 . 2 . . . . 36 VAL HG13 . 17327 1 136 . 1 1 19 19 VAL HG21 H 1 1.015 0.020 . 2 . . . . 36 VAL HG21 . 17327 1 137 . 1 1 19 19 VAL HG22 H 1 1.015 0.020 . 2 . . . . 36 VAL HG22 . 17327 1 138 . 1 1 19 19 VAL HG23 H 1 1.015 0.020 . 2 . . . . 36 VAL HG23 . 17327 1 139 . 1 1 19 19 VAL C C 13 177.159 0.400 . 1 . . . . 36 VAL C . 17327 1 140 . 1 1 19 19 VAL CA C 13 68.290 0.400 . 1 . . . . 36 VAL CA . 17327 1 141 . 1 1 19 19 VAL CB C 13 31.830 0.400 . 1 . . . . 36 VAL CB . 17327 1 142 . 1 1 19 19 VAL CG1 C 13 23.216 0.400 . 1 . . . . 36 VAL CG1 . 17327 1 143 . 1 1 19 19 VAL CG2 C 13 23.883 0.400 . 1 . . . . 36 VAL CG2 . 17327 1 144 . 1 1 19 19 VAL N N 15 116.958 0.400 . 1 . . . . 36 VAL N . 17327 1 145 . 1 1 20 20 THR H H 1 7.675 0.020 . 1 . . . . 37 THR H . 17327 1 146 . 1 1 20 20 THR HA H 1 3.724 0.020 . 1 . . . . 37 THR HA . 17327 1 147 . 1 1 20 20 THR HB H 1 4.356 0.020 . 1 . . . . 37 THR HB . 17327 1 148 . 1 1 20 20 THR HG21 H 1 1.329 0.020 . 1 . . . . 37 THR HG21 . 17327 1 149 . 1 1 20 20 THR HG22 H 1 1.329 0.020 . 1 . . . . 37 THR HG22 . 17327 1 150 . 1 1 20 20 THR HG23 H 1 1.329 0.020 . 1 . . . . 37 THR HG23 . 17327 1 151 . 1 1 20 20 THR C C 13 176.177 0.400 . 1 . . . . 37 THR C . 17327 1 152 . 1 1 20 20 THR CA C 13 69.499 0.400 . 1 . . . . 37 THR CA . 17327 1 153 . 1 1 20 20 THR CB C 13 68.285 0.400 . 1 . . . . 37 THR CB . 17327 1 154 . 1 1 20 20 THR CG2 C 13 22.525 0.400 . 1 . . . . 37 THR CG2 . 17327 1 155 . 1 1 20 20 THR N N 15 116.881 0.400 . 1 . . . . 37 THR N . 17327 1 156 . 1 1 21 21 ALA H H 1 8.122 0.020 . 1 . . . . 38 ALA H . 17327 1 157 . 1 1 21 21 ALA HA H 1 3.895 0.020 . 1 . . . . 38 ALA HA . 17327 1 158 . 1 1 21 21 ALA C C 13 178.897 0.400 . 1 . . . . 38 ALA C . 17327 1 159 . 1 1 21 21 ALA CA C 13 55.541 0.400 . 1 . . . . 38 ALA CA . 17327 1 160 . 1 1 21 21 ALA CB C 13 18.000 0.400 . 1 . . . . 38 ALA CB . 17327 1 161 . 1 1 21 21 ALA N N 15 121.647 0.400 . 1 . . . . 38 ALA N . 17327 1 162 . 1 1 22 22 ALA H H 1 8.469 0.020 . 1 . . . . 39 ALA H . 17327 1 163 . 1 1 22 22 ALA HA H 1 3.947 0.020 . 1 . . . . 39 ALA HA . 17327 1 164 . 1 1 22 22 ALA HB1 H 1 1.757 0.020 . 1 . . . . 39 ALA HB1 . 17327 1 165 . 1 1 22 22 ALA HB2 H 1 1.757 0.020 . 1 . . . . 39 ALA HB2 . 17327 1 166 . 1 1 22 22 ALA HB3 H 1 1.757 0.020 . 1 . . . . 39 ALA HB3 . 17327 1 167 . 1 1 22 22 ALA C C 13 180.558 0.400 . 1 . . . . 39 ALA C . 17327 1 168 . 1 1 22 22 ALA CA C 13 55.166 0.400 . 1 . . . . 39 ALA CA . 17327 1 169 . 1 1 22 22 ALA CB C 13 18.651 0.400 . 1 . . . . 39 ALA CB . 17327 1 170 . 1 1 22 22 ALA N N 15 118.547 0.400 . 1 . . . . 39 ALA N . 17327 1 171 . 1 1 23 23 LEU H H 1 9.065 0.020 . 1 . . . . 40 LEU H . 17327 1 172 . 1 1 23 23 LEU HA H 1 3.723 0.020 . 1 . . . . 40 LEU HA . 17327 1 173 . 1 1 23 23 LEU HD11 H 1 0.828 0.020 . 1 . . . . 40 LEU HD11 . 17327 1 174 . 1 1 23 23 LEU HD12 H 1 0.828 0.020 . 1 . . . . 40 LEU HD12 . 17327 1 175 . 1 1 23 23 LEU HD13 H 1 0.828 0.020 . 1 . . . . 40 LEU HD13 . 17327 1 176 . 1 1 23 23 LEU C C 13 179.980 0.400 . 1 . . . . 40 LEU C . 17327 1 177 . 1 1 23 23 LEU CA C 13 58.071 0.400 . 1 . . . . 40 LEU CA . 17327 1 178 . 1 1 23 23 LEU CB C 13 41.805 0.400 . 1 . . . . 40 LEU CB . 17327 1 179 . 1 1 23 23 LEU CD1 C 13 26.285 0.400 . 1 . . . . 40 LEU CD1 . 17327 1 180 . 1 1 23 23 LEU N N 15 122.396 0.400 . 1 . . . . 40 LEU N . 17327 1 181 . 1 1 24 24 LEU H H 1 8.025 0.020 . 1 . . . . 41 LEU H . 17327 1 182 . 1 1 24 24 LEU HA H 1 3.535 0.020 . 1 . . . . 41 LEU HA . 17327 1 183 . 1 1 24 24 LEU HB2 H 1 1.781 0.020 . 1 . . . . 41 LEU HB2 . 17327 1 184 . 1 1 24 24 LEU HB3 H 1 1.781 0.020 . 1 . . . . 41 LEU HB3 . 17327 1 185 . 1 1 24 24 LEU HD11 H 1 0.251 0.020 . 2 . . . . 41 LEU HD11 . 17327 1 186 . 1 1 24 24 LEU HD12 H 1 0.251 0.020 . 2 . . . . 41 LEU HD12 . 17327 1 187 . 1 1 24 24 LEU HD13 H 1 0.251 0.020 . 2 . . . . 41 LEU HD13 . 17327 1 188 . 1 1 24 24 LEU HD21 H 1 0.633 0.020 . 2 . . . . 41 LEU HD21 . 17327 1 189 . 1 1 24 24 LEU HD22 H 1 0.633 0.020 . 2 . . . . 41 LEU HD22 . 17327 1 190 . 1 1 24 24 LEU HD23 H 1 0.633 0.020 . 2 . . . . 41 LEU HD23 . 17327 1 191 . 1 1 24 24 LEU C C 13 177.535 0.400 . 1 . . . . 41 LEU C . 17327 1 192 . 1 1 24 24 LEU CA C 13 58.609 0.400 . 1 . . . . 41 LEU CA . 17327 1 193 . 1 1 24 24 LEU CB C 13 39.959 0.400 . 1 . . . . 41 LEU CB . 17327 1 194 . 1 1 24 24 LEU CD1 C 13 21.427 0.400 . 1 . . . . 41 LEU CD1 . 17327 1 195 . 1 1 24 24 LEU CD2 C 13 25.206 0.400 . 1 . . . . 41 LEU CD2 . 17327 1 196 . 1 1 24 24 LEU N N 15 124.001 0.400 . 1 . . . . 41 LEU N . 17327 1 197 . 1 1 25 25 ALA H H 1 8.100 0.020 . 1 . . . . 42 ALA H . 17327 1 198 . 1 1 25 25 ALA HA H 1 3.733 0.020 . 1 . . . . 42 ALA HA . 17327 1 199 . 1 1 25 25 ALA HB1 H 1 1.282 0.020 . 1 . . . . 42 ALA HB1 . 17327 1 200 . 1 1 25 25 ALA HB2 H 1 1.282 0.020 . 1 . . . . 42 ALA HB2 . 17327 1 201 . 1 1 25 25 ALA HB3 H 1 1.282 0.020 . 1 . . . . 42 ALA HB3 . 17327 1 202 . 1 1 25 25 ALA C C 13 178.816 0.400 . 1 . . . . 42 ALA C . 17327 1 203 . 1 1 25 25 ALA CA C 13 55.419 0.400 . 1 . . . . 42 ALA CA . 17327 1 204 . 1 1 25 25 ALA CB C 13 18.054 0.400 . 1 . . . . 42 ALA CB . 17327 1 205 . 1 1 25 25 ALA N N 15 118.613 0.400 . 1 . . . . 42 ALA N . 17327 1 206 . 1 1 26 26 SER H H 1 8.341 0.020 . 1 . . . . 43 SER H . 17327 1 207 . 1 1 26 26 SER HA H 1 3.599 0.020 . 1 . . . . 43 SER HA . 17327 1 208 . 1 1 26 26 SER C C 13 173.750 0.400 . 1 . . . . 43 SER C . 17327 1 209 . 1 1 26 26 SER CA C 13 62.521 0.400 . 1 . . . . 43 SER CA . 17327 1 210 . 1 1 26 26 SER N N 15 111.188 0.400 . 1 . . . . 43 SER N . 17327 1 211 . 1 1 27 27 THR H H 1 7.684 0.020 . 1 . . . . 44 THR H . 17327 1 212 . 1 1 27 27 THR HA H 1 3.923 0.020 . 1 . . . . 44 THR HA . 17327 1 213 . 1 1 27 27 THR HB H 1 4.353 0.020 . 1 . . . . 44 THR HB . 17327 1 214 . 1 1 27 27 THR HG21 H 1 1.269 0.020 . 1 . . . . 44 THR HG21 . 17327 1 215 . 1 1 27 27 THR HG22 H 1 1.269 0.020 . 1 . . . . 44 THR HG22 . 17327 1 216 . 1 1 27 27 THR HG23 H 1 1.269 0.020 . 1 . . . . 44 THR HG23 . 17327 1 217 . 1 1 27 27 THR C C 13 175.360 0.400 . 1 . . . . 44 THR C . 17327 1 218 . 1 1 27 27 THR CA C 13 68.308 0.400 . 1 . . . . 44 THR CA . 17327 1 219 . 1 1 27 27 THR CB C 13 68.816 0.400 . 1 . . . . 44 THR CB . 17327 1 220 . 1 1 27 27 THR CG2 C 13 20.602 0.400 . 1 . . . . 44 THR CG2 . 17327 1 221 . 1 1 27 27 THR N N 15 119.005 0.400 . 1 . . . . 44 THR N . 17327 1 222 . 1 1 28 28 VAL H H 1 7.357 0.020 . 1 . . . . 45 VAL H . 17327 1 223 . 1 1 28 28 VAL HA H 1 3.515 0.020 . 1 . . . . 45 VAL HA . 17327 1 224 . 1 1 28 28 VAL HG11 H 1 0.921 0.020 . 2 . . . . 45 VAL HG11 . 17327 1 225 . 1 1 28 28 VAL HG12 H 1 0.921 0.020 . 2 . . . . 45 VAL HG12 . 17327 1 226 . 1 1 28 28 VAL HG13 H 1 0.921 0.020 . 2 . . . . 45 VAL HG13 . 17327 1 227 . 1 1 28 28 VAL HG21 H 1 0.927 0.020 . 2 . . . . 45 VAL HG21 . 17327 1 228 . 1 1 28 28 VAL HG22 H 1 0.927 0.020 . 2 . . . . 45 VAL HG22 . 17327 1 229 . 1 1 28 28 VAL HG23 H 1 0.927 0.020 . 2 . . . . 45 VAL HG23 . 17327 1 230 . 1 1 28 28 VAL C C 13 176.402 0.400 . 1 . . . . 45 VAL C . 17327 1 231 . 1 1 28 28 VAL CA C 13 67.291 0.400 . 1 . . . . 45 VAL CA . 17327 1 232 . 1 1 28 28 VAL CB C 13 31.750 0.400 . 1 . . . . 45 VAL CB . 17327 1 233 . 1 1 28 28 VAL CG1 C 13 22.122 0.400 . 1 . . . . 45 VAL CG1 . 17327 1 234 . 1 1 28 28 VAL CG2 C 13 21.796 0.400 . 1 . . . . 45 VAL CG2 . 17327 1 235 . 1 1 28 28 VAL N N 15 118.012 0.400 . 1 . . . . 45 VAL N . 17327 1 236 . 1 1 29 29 PHE H H 1 7.955 0.020 . 1 . . . . 46 PHE H . 17327 1 237 . 1 1 29 29 PHE HA H 1 2.882 0.020 . 1 . . . . 46 PHE HA . 17327 1 238 . 1 1 29 29 PHE C C 13 176.635 0.400 . 1 . . . . 46 PHE C . 17327 1 239 . 1 1 29 29 PHE CA C 13 62.266 0.400 . 1 . . . . 46 PHE CA . 17327 1 240 . 1 1 29 29 PHE CB C 13 37.758 0.400 . 1 . . . . 46 PHE CB . 17327 1 241 . 1 1 29 29 PHE N N 15 118.263 0.400 . 1 . . . . 46 PHE N . 17327 1 242 . 1 1 30 30 PHE H H 1 8.746 0.020 . 1 . . . . 47 PHE H . 17327 1 243 . 1 1 30 30 PHE HA H 1 4.123 0.020 . 1 . . . . 47 PHE HA . 17327 1 244 . 1 1 30 30 PHE HB2 H 1 3.321 0.020 . 1 . . . . 47 PHE HB2 . 17327 1 245 . 1 1 30 30 PHE HB3 H 1 3.321 0.020 . 1 . . . . 47 PHE HB3 . 17327 1 246 . 1 1 30 30 PHE C C 13 177.813 0.400 . 1 . . . . 47 PHE C . 17327 1 247 . 1 1 30 30 PHE CA C 13 60.849 0.400 . 1 . . . . 47 PHE CA . 17327 1 248 . 1 1 30 30 PHE CB C 13 37.442 0.400 . 1 . . . . 47 PHE CB . 17327 1 249 . 1 1 30 30 PHE N N 15 116.699 0.400 . 1 . . . . 47 PHE N . 17327 1 250 . 1 1 31 31 PHE H H 1 7.954 0.020 . 1 . . . . 48 PHE H . 17327 1 251 . 1 1 31 31 PHE HA H 1 4.300 0.020 . 1 . . . . 48 PHE HA . 17327 1 252 . 1 1 31 31 PHE HB2 H 1 3.184 0.020 . 1 . . . . 48 PHE HB2 . 17327 1 253 . 1 1 31 31 PHE HB3 H 1 3.184 0.020 . 1 . . . . 48 PHE HB3 . 17327 1 254 . 1 1 31 31 PHE C C 13 178.400 0.400 . 1 . . . . 48 PHE C . 17327 1 255 . 1 1 31 31 PHE CA C 13 61.982 0.400 . 1 . . . . 48 PHE CA . 17327 1 256 . 1 1 31 31 PHE CB C 13 38.789 0.400 . 1 . . . . 48 PHE CB . 17327 1 257 . 1 1 31 31 PHE N N 15 114.747 0.400 . 1 . . . . 48 PHE N . 17327 1 258 . 1 1 32 32 VAL H H 1 8.453 0.020 . 1 . . . . 49 VAL H . 17327 1 259 . 1 1 32 32 VAL HA H 1 3.947 0.020 . 1 . . . . 49 VAL HA . 17327 1 260 . 1 1 32 32 VAL HB H 1 2.166 0.020 . 1 . . . . 49 VAL HB . 17327 1 261 . 1 1 32 32 VAL HG11 H 1 0.955 0.020 . 2 . . . . 49 VAL HG11 . 17327 1 262 . 1 1 32 32 VAL HG12 H 1 0.955 0.020 . 2 . . . . 49 VAL HG12 . 17327 1 263 . 1 1 32 32 VAL HG13 H 1 0.955 0.020 . 2 . . . . 49 VAL HG13 . 17327 1 264 . 1 1 32 32 VAL HG21 H 1 1.108 0.020 . 2 . . . . 49 VAL HG21 . 17327 1 265 . 1 1 32 32 VAL HG22 H 1 1.108 0.020 . 2 . . . . 49 VAL HG22 . 17327 1 266 . 1 1 32 32 VAL HG23 H 1 1.108 0.020 . 2 . . . . 49 VAL HG23 . 17327 1 267 . 1 1 32 32 VAL C C 13 179.061 0.400 . 1 . . . . 49 VAL C . 17327 1 268 . 1 1 32 32 VAL CA C 13 65.888 0.400 . 1 . . . . 49 VAL CA . 17327 1 269 . 1 1 32 32 VAL CB C 13 31.978 0.400 . 1 . . . . 49 VAL CB . 17327 1 270 . 1 1 32 32 VAL CG1 C 13 21.346 0.400 . 1 . . . . 49 VAL CG1 . 17327 1 271 . 1 1 32 32 VAL CG2 C 13 22.797 0.400 . 1 . . . . 49 VAL CG2 . 17327 1 272 . 1 1 32 32 VAL N N 15 119.506 0.400 . 1 . . . . 49 VAL N . 17327 1 273 . 1 1 33 33 GLU H H 1 8.368 0.020 . 1 . . . . 50 GLU H . 17327 1 274 . 1 1 33 33 GLU HA H 1 3.956 0.020 . 1 . . . . 50 GLU HA . 17327 1 275 . 1 1 33 33 GLU C C 13 178.483 0.400 . 1 . . . . 50 GLU C . 17327 1 276 . 1 1 33 33 GLU CA C 13 57.926 0.400 . 1 . . . . 50 GLU CA . 17327 1 277 . 1 1 33 33 GLU CB C 13 29.640 0.400 . 1 . . . . 50 GLU CB . 17327 1 278 . 1 1 33 33 GLU N N 15 117.429 0.400 . 1 . . . . 50 GLU N . 17327 1 279 . 1 1 34 34 ARG H H 1 7.708 0.020 . 1 . . . . 51 ARG H . 17327 1 280 . 1 1 34 34 ARG HA H 1 4.016 0.020 . 1 . . . . 51 ARG HA . 17327 1 281 . 1 1 34 34 ARG HB2 H 1 1.921 0.020 . 1 . . . . 51 ARG HB2 . 17327 1 282 . 1 1 34 34 ARG HB3 H 1 1.921 0.020 . 1 . . . . 51 ARG HB3 . 17327 1 283 . 1 1 34 34 ARG C C 13 175.732 0.400 . 1 . . . . 51 ARG C . 17327 1 284 . 1 1 34 34 ARG CA C 13 59.407 0.400 . 1 . . . . 51 ARG CA . 17327 1 285 . 1 1 34 34 ARG CB C 13 29.711 0.400 . 1 . . . . 51 ARG CB . 17327 1 286 . 1 1 34 34 ARG N N 15 118.382 0.400 . 1 . . . . 51 ARG N . 17327 1 287 . 1 1 35 35 ASP H H 1 7.099 0.020 . 1 . . . . 52 ASP H . 17327 1 288 . 1 1 35 35 ASP HA H 1 4.804 0.020 . 1 . . . . 52 ASP HA . 17327 1 289 . 1 1 35 35 ASP HB2 H 1 2.664 0.020 . 1 . . . . 52 ASP HB2 . 17327 1 290 . 1 1 35 35 ASP HB3 H 1 2.664 0.020 . 1 . . . . 52 ASP HB3 . 17327 1 291 . 1 1 35 35 ASP C C 13 176.489 0.400 . 1 . . . . 52 ASP C . 17327 1 292 . 1 1 35 35 ASP CA C 13 55.535 0.400 . 1 . . . . 52 ASP CA . 17327 1 293 . 1 1 35 35 ASP CB C 13 41.549 0.400 . 1 . . . . 52 ASP CB . 17327 1 294 . 1 1 35 35 ASP N N 15 114.989 0.400 . 1 . . . . 52 ASP N . 17327 1 295 . 1 1 36 36 ARG H H 1 7.864 0.020 . 1 . . . . 53 ARG H . 17327 1 296 . 1 1 36 36 ARG HA H 1 4.504 0.020 . 1 . . . . 53 ARG HA . 17327 1 297 . 1 1 36 36 ARG HB2 H 1 2.090 0.020 . 1 . . . . 53 ARG HB2 . 17327 1 298 . 1 1 36 36 ARG HB3 H 1 2.090 0.020 . 1 . . . . 53 ARG HB3 . 17327 1 299 . 1 1 36 36 ARG C C 13 176.273 0.400 . 1 . . . . 53 ARG C . 17327 1 300 . 1 1 36 36 ARG CA C 13 56.204 0.400 . 1 . . . . 53 ARG CA . 17327 1 301 . 1 1 36 36 ARG CB C 13 31.346 0.400 . 1 . . . . 53 ARG CB . 17327 1 302 . 1 1 36 36 ARG N N 15 117.488 0.400 . 1 . . . . 53 ARG N . 17327 1 303 . 1 1 37 37 VAL H H 1 6.937 0.020 . 1 . . . . 54 VAL H . 17327 1 304 . 1 1 37 37 VAL HA H 1 4.679 0.020 . 1 . . . . 54 VAL HA . 17327 1 305 . 1 1 37 37 VAL HB H 1 2.247 0.020 . 1 . . . . 54 VAL HB . 17327 1 306 . 1 1 37 37 VAL HG11 H 1 0.839 0.020 . 2 . . . . 54 VAL HG11 . 17327 1 307 . 1 1 37 37 VAL HG12 H 1 0.839 0.020 . 2 . . . . 54 VAL HG12 . 17327 1 308 . 1 1 37 37 VAL HG13 H 1 0.839 0.020 . 2 . . . . 54 VAL HG13 . 17327 1 309 . 1 1 37 37 VAL HG21 H 1 1.015 0.020 . 2 . . . . 54 VAL HG21 . 17327 1 310 . 1 1 37 37 VAL HG22 H 1 1.015 0.020 . 2 . . . . 54 VAL HG22 . 17327 1 311 . 1 1 37 37 VAL HG23 H 1 1.015 0.020 . 2 . . . . 54 VAL HG23 . 17327 1 312 . 1 1 37 37 VAL C C 13 175.131 0.400 . 1 . . . . 54 VAL C . 17327 1 313 . 1 1 37 37 VAL CA C 13 59.283 0.400 . 1 . . . . 54 VAL CA . 17327 1 314 . 1 1 37 37 VAL CB C 13 34.679 0.400 . 1 . . . . 54 VAL CB . 17327 1 315 . 1 1 37 37 VAL CG1 C 13 21.473 0.400 . 1 . . . . 54 VAL CG1 . 17327 1 316 . 1 1 37 37 VAL CG2 C 13 17.916 0.400 . 1 . . . . 54 VAL CG2 . 17327 1 317 . 1 1 37 37 VAL N N 15 109.778 0.400 . 1 . . . . 54 VAL N . 17327 1 318 . 1 1 38 38 SER H H 1 8.584 0.020 . 1 . . . . 55 SER H . 17327 1 319 . 1 1 38 38 SER C C 13 175.138 0.400 . 1 . . . . 55 SER C . 17327 1 320 . 1 1 38 38 SER CA C 13 58.410 0.400 . 1 . . . . 55 SER CA . 17327 1 321 . 1 1 38 38 SER CB C 13 64.660 0.400 . 1 . . . . 55 SER CB . 17327 1 322 . 1 1 38 38 SER N N 15 114.565 0.400 . 1 . . . . 55 SER N . 17327 1 323 . 1 1 39 39 ALA H H 1 8.791 0.020 . 1 . . . . 56 ALA H . 17327 1 324 . 1 1 39 39 ALA HA H 1 4.099 0.020 . 1 . . . . 56 ALA HA . 17327 1 325 . 1 1 39 39 ALA HB1 H 1 1.373 0.020 . 1 . . . . 56 ALA HB1 . 17327 1 326 . 1 1 39 39 ALA HB2 H 1 1.373 0.020 . 1 . . . . 56 ALA HB2 . 17327 1 327 . 1 1 39 39 ALA HB3 H 1 1.373 0.020 . 1 . . . . 56 ALA HB3 . 17327 1 328 . 1 1 39 39 ALA C C 13 179.596 0.400 . 1 . . . . 56 ALA C . 17327 1 329 . 1 1 39 39 ALA CA C 13 55.888 0.400 . 1 . . . . 56 ALA CA . 17327 1 330 . 1 1 39 39 ALA CB C 13 19.189 0.400 . 1 . . . . 56 ALA CB . 17327 1 331 . 1 1 39 39 ALA N N 15 124.091 0.400 . 1 . . . . 56 ALA N . 17327 1 332 . 1 1 40 40 LYS H H 1 8.066 0.020 . 1 . . . . 57 LYS H . 17327 1 333 . 1 1 40 40 LYS HA H 1 3.963 0.020 . 1 . . . . 57 LYS HA . 17327 1 334 . 1 1 40 40 LYS C C 13 177.912 0.400 . 1 . . . . 57 LYS C . 17327 1 335 . 1 1 40 40 LYS CA C 13 58.543 0.400 . 1 . . . . 57 LYS CA . 17327 1 336 . 1 1 40 40 LYS CB C 13 32.390 0.400 . 1 . . . . 57 LYS CB . 17327 1 337 . 1 1 40 40 LYS N N 15 116.124 0.400 . 1 . . . . 57 LYS N . 17327 1 338 . 1 1 41 41 TRP H H 1 7.722 0.020 . 1 . . . . 58 TRP H . 17327 1 339 . 1 1 41 41 TRP HA H 1 4.724 0.020 . 1 . . . . 58 TRP HA . 17327 1 340 . 1 1 41 41 TRP HD1 H 1 7.256 0.020 . 1 . . . . 58 TRP HD1 . 17327 1 341 . 1 1 41 41 TRP HE3 H 1 7.543 0.020 . 1 . . . . 58 TRP HE3 . 17327 1 342 . 1 1 41 41 TRP HZ2 H 1 7.315 0.020 . 1 . . . . 58 TRP HZ2 . 17327 1 343 . 1 1 41 41 TRP HZ3 H 1 6.939 0.020 . 1 . . . . 58 TRP HZ3 . 17327 1 344 . 1 1 41 41 TRP HH2 H 1 6.995 0.020 . 1 . . . . 58 TRP HH2 . 17327 1 345 . 1 1 41 41 TRP C C 13 176.758 0.400 . 1 . . . . 58 TRP C . 17327 1 346 . 1 1 41 41 TRP CA C 13 57.264 0.400 . 1 . . . . 58 TRP CA . 17327 1 347 . 1 1 41 41 TRP CB C 13 32.001 0.400 . 1 . . . . 58 TRP CB . 17327 1 348 . 1 1 41 41 TRP CD1 C 13 127.420 0.400 . 1 . . . . 58 TRP CD1 . 17327 1 349 . 1 1 41 41 TRP CE3 C 13 120.082 0.400 . 1 . . . . 58 TRP CE3 . 17327 1 350 . 1 1 41 41 TRP CZ2 C 13 114.464 0.400 . 1 . . . . 58 TRP CZ2 . 17327 1 351 . 1 1 41 41 TRP CZ3 C 13 121.412 0.400 . 1 . . . . 58 TRP CZ3 . 17327 1 352 . 1 1 41 41 TRP CH2 C 13 124.087 0.400 . 1 . . . . 58 TRP CH2 . 17327 1 353 . 1 1 41 41 TRP N N 15 117.409 0.400 . 1 . . . . 58 TRP N . 17327 1 354 . 1 1 41 41 TRP NE1 N 15 129.300 0.400 . 1 . . . . 58 TRP NE1 . 17327 1 355 . 1 1 42 42 LYS H H 1 7.767 0.020 . 1 . . . . 59 LYS H . 17327 1 356 . 1 1 42 42 LYS HA H 1 3.867 0.020 . 1 . . . . 59 LYS HA . 17327 1 357 . 1 1 42 42 LYS HB2 H 1 1.962 0.020 . 1 . . . . 59 LYS HB2 . 17327 1 358 . 1 1 42 42 LYS HB3 H 1 1.962 0.020 . 1 . . . . 59 LYS HB3 . 17327 1 359 . 1 1 42 42 LYS C C 13 179.712 0.400 . 1 . . . . 59 LYS C . 17327 1 360 . 1 1 42 42 LYS CA C 13 61.522 0.400 . 1 . . . . 59 LYS CA . 17327 1 361 . 1 1 42 42 LYS CB C 13 33.077 0.400 . 1 . . . . 59 LYS CB . 17327 1 362 . 1 1 42 42 LYS N N 15 122.122 0.400 . 1 . . . . 59 LYS N . 17327 1 363 . 1 1 43 43 THR H H 1 8.584 0.020 . 1 . . . . 60 THR H . 17327 1 364 . 1 1 43 43 THR HA H 1 3.928 0.020 . 1 . . . . 60 THR HA . 17327 1 365 . 1 1 43 43 THR C C 13 176.206 0.400 . 1 . . . . 60 THR C . 17327 1 366 . 1 1 43 43 THR CA C 13 67.391 0.400 . 1 . . . . 60 THR CA . 17327 1 367 . 1 1 43 43 THR CB C 13 62.780 0.400 . 1 . . . . 60 THR CB . 17327 1 368 . 1 1 43 43 THR N N 15 116.694 0.400 . 1 . . . . 60 THR N . 17327 1 369 . 1 1 44 44 SER H H 1 8.244 0.020 . 1 . . . . 61 SER H . 17327 1 370 . 1 1 44 44 SER C C 13 174.067 0.400 . 1 . . . . 61 SER C . 17327 1 371 . 1 1 44 44 SER CA C 13 63.340 0.400 . 1 . . . . 61 SER CA . 17327 1 372 . 1 1 44 44 SER CB C 13 62.930 0.400 . 1 . . . . 61 SER CB . 17327 1 373 . 1 1 44 44 SER N N 15 118.426 0.400 . 1 . . . . 61 SER N . 17327 1 374 . 1 1 45 45 LEU H H 1 7.896 0.020 . 1 . . . . 62 LEU H . 17327 1 375 . 1 1 45 45 LEU HA H 1 4.096 0.020 . 1 . . . . 62 LEU HA . 17327 1 376 . 1 1 45 45 LEU HG H 1 1.934 0.020 . 1 . . . . 62 LEU HG . 17327 1 377 . 1 1 45 45 LEU HD11 H 1 1.077 0.020 . 2 . . . . 62 LEU HD11 . 17327 1 378 . 1 1 45 45 LEU HD12 H 1 1.077 0.020 . 2 . . . . 62 LEU HD12 . 17327 1 379 . 1 1 45 45 LEU HD13 H 1 1.077 0.020 . 2 . . . . 62 LEU HD13 . 17327 1 380 . 1 1 45 45 LEU HD21 H 1 1.004 0.020 . 2 . . . . 62 LEU HD21 . 17327 1 381 . 1 1 45 45 LEU HD22 H 1 1.004 0.020 . 2 . . . . 62 LEU HD22 . 17327 1 382 . 1 1 45 45 LEU HD23 H 1 1.004 0.020 . 2 . . . . 62 LEU HD23 . 17327 1 383 . 1 1 45 45 LEU C C 13 178.273 0.400 . 1 . . . . 62 LEU C . 17327 1 384 . 1 1 45 45 LEU CA C 13 57.876 0.400 . 1 . . . . 62 LEU CA . 17327 1 385 . 1 1 45 45 LEU CB C 13 41.380 0.400 . 1 . . . . 62 LEU CB . 17327 1 386 . 1 1 45 45 LEU CG C 13 28.964 0.400 . 1 . . . . 62 LEU CG . 17327 1 387 . 1 1 45 45 LEU CD1 C 13 26.130 0.400 . 1 . . . . 62 LEU CD1 . 17327 1 388 . 1 1 45 45 LEU CD2 C 13 24.317 0.400 . 1 . . . . 62 LEU CD2 . 17327 1 389 . 1 1 45 45 LEU N N 15 123.718 0.400 . 1 . . . . 62 LEU N . 17327 1 390 . 1 1 46 46 THR H H 1 8.090 0.020 . 1 . . . . 63 THR H . 17327 1 391 . 1 1 46 46 THR HA H 1 3.673 0.020 . 1 . . . . 63 THR HA . 17327 1 392 . 1 1 46 46 THR HG21 H 1 1.298 0.020 . 1 . . . . 63 THR HG21 . 17327 1 393 . 1 1 46 46 THR HG22 H 1 1.298 0.020 . 1 . . . . 63 THR HG22 . 17327 1 394 . 1 1 46 46 THR HG23 H 1 1.298 0.020 . 1 . . . . 63 THR HG23 . 17327 1 395 . 1 1 46 46 THR C C 13 175.931 0.400 . 1 . . . . 63 THR C . 17327 1 396 . 1 1 46 46 THR CA C 13 67.758 0.400 . 1 . . . . 63 THR CA . 17327 1 397 . 1 1 46 46 THR CG2 C 13 21.423 0.400 . 1 . . . . 63 THR CG2 . 17327 1 398 . 1 1 46 46 THR N N 15 116.733 0.400 . 1 . . . . 63 THR N . 17327 1 399 . 1 1 47 47 VAL H H 1 8.360 0.020 . 1 . . . . 64 VAL H . 17327 1 400 . 1 1 47 47 VAL HA H 1 3.551 0.020 . 1 . . . . 64 VAL HA . 17327 1 401 . 1 1 47 47 VAL HB H 1 2.244 0.020 . 1 . . . . 64 VAL HB . 17327 1 402 . 1 1 47 47 VAL HG11 H 1 0.594 0.020 . 2 . . . . 64 VAL HG11 . 17327 1 403 . 1 1 47 47 VAL HG12 H 1 0.594 0.020 . 2 . . . . 64 VAL HG12 . 17327 1 404 . 1 1 47 47 VAL HG13 H 1 0.594 0.020 . 2 . . . . 64 VAL HG13 . 17327 1 405 . 1 1 47 47 VAL HG21 H 1 1.010 0.020 . 2 . . . . 64 VAL HG21 . 17327 1 406 . 1 1 47 47 VAL HG22 H 1 1.010 0.020 . 2 . . . . 64 VAL HG22 . 17327 1 407 . 1 1 47 47 VAL HG23 H 1 1.010 0.020 . 2 . . . . 64 VAL HG23 . 17327 1 408 . 1 1 47 47 VAL C C 13 177.189 0.400 . 1 . . . . 64 VAL C . 17327 1 409 . 1 1 47 47 VAL CA C 13 67.874 0.400 . 1 . . . . 64 VAL CA . 17327 1 410 . 1 1 47 47 VAL CB C 13 31.481 0.400 . 1 . . . . 64 VAL CB . 17327 1 411 . 1 1 47 47 VAL CG1 C 13 20.941 0.400 . 1 . . . . 64 VAL CG1 . 17327 1 412 . 1 1 47 47 VAL CG2 C 13 24.088 0.400 . 1 . . . . 64 VAL CG2 . 17327 1 413 . 1 1 47 47 VAL N N 15 120.331 0.400 . 1 . . . . 64 VAL N . 17327 1 414 . 1 1 48 48 SER H H 1 7.979 0.020 . 1 . . . . 65 SER H . 17327 1 415 . 1 1 48 48 SER HA H 1 4.089 0.020 . 1 . . . . 65 SER HA . 17327 1 416 . 1 1 48 48 SER HB2 H 1 3.478 0.020 . 1 . . . . 65 SER HB2 . 17327 1 417 . 1 1 48 48 SER HB3 H 1 3.478 0.020 . 1 . . . . 65 SER HB3 . 17327 1 418 . 1 1 48 48 SER C C 13 176.144 0.400 . 1 . . . . 65 SER C . 17327 1 419 . 1 1 48 48 SER CA C 13 63.672 0.400 . 1 . . . . 65 SER CA . 17327 1 420 . 1 1 48 48 SER CB C 13 62.735 0.400 . 1 . . . . 65 SER CB . 17327 1 421 . 1 1 48 48 SER N N 15 115.856 0.400 . 1 . . . . 65 SER N . 17327 1 422 . 1 1 49 49 GLY H H 1 7.790 0.020 . 1 . . . . 66 GLY H . 17327 1 423 . 1 1 49 49 GLY C C 13 175.403 0.400 . 1 . . . . 66 GLY C . 17327 1 424 . 1 1 49 49 GLY CA C 13 47.100 0.400 . 1 . . . . 66 GLY CA . 17327 1 425 . 1 1 49 49 GLY N N 15 105.894 0.400 . 1 . . . . 66 GLY N . 17327 1 426 . 1 1 50 50 LEU H H 1 8.431 0.020 . 1 . . . . 67 LEU H . 17327 1 427 . 1 1 50 50 LEU HA H 1 4.354 0.020 . 1 . . . . 67 LEU HA . 17327 1 428 . 1 1 50 50 LEU HD11 H 1 0.975 0.020 . 1 . . . . 67 LEU HD11 . 17327 1 429 . 1 1 50 50 LEU HD12 H 1 0.975 0.020 . 1 . . . . 67 LEU HD12 . 17327 1 430 . 1 1 50 50 LEU HD13 H 1 0.975 0.020 . 1 . . . . 67 LEU HD13 . 17327 1 431 . 1 1 50 50 LEU C C 13 178.407 0.400 . 1 . . . . 67 LEU C . 17327 1 432 . 1 1 50 50 LEU CA C 13 58.336 0.400 . 1 . . . . 67 LEU CA . 17327 1 433 . 1 1 50 50 LEU CB C 13 42.560 0.400 . 1 . . . . 67 LEU CB . 17327 1 434 . 1 1 50 50 LEU CD1 C 13 25.177 0.400 . 1 . . . . 67 LEU CD1 . 17327 1 435 . 1 1 50 50 LEU N N 15 123.482 0.400 . 1 . . . . 67 LEU N . 17327 1 436 . 1 1 51 51 VAL H H 1 8.511 0.020 . 1 . . . . 68 VAL H . 17327 1 437 . 1 1 51 51 VAL HA H 1 3.584 0.020 . 1 . . . . 68 VAL HA . 17327 1 438 . 1 1 51 51 VAL HG11 H 1 1.073 0.020 . 2 . . . . 68 VAL HG11 . 17327 1 439 . 1 1 51 51 VAL HG12 H 1 1.073 0.020 . 2 . . . . 68 VAL HG12 . 17327 1 440 . 1 1 51 51 VAL HG13 H 1 1.073 0.020 . 2 . . . . 68 VAL HG13 . 17327 1 441 . 1 1 51 51 VAL HG21 H 1 1.213 0.020 . 2 . . . . 68 VAL HG21 . 17327 1 442 . 1 1 51 51 VAL HG22 H 1 1.213 0.020 . 2 . . . . 68 VAL HG22 . 17327 1 443 . 1 1 51 51 VAL HG23 H 1 1.213 0.020 . 2 . . . . 68 VAL HG23 . 17327 1 444 . 1 1 51 51 VAL C C 13 177.961 0.400 . 1 . . . . 68 VAL C . 17327 1 445 . 1 1 51 51 VAL CA C 13 68.136 0.400 . 1 . . . . 68 VAL CA . 17327 1 446 . 1 1 51 51 VAL CB C 13 31.780 0.400 . 1 . . . . 68 VAL CB . 17327 1 447 . 1 1 51 51 VAL CG1 C 13 21.889 0.400 . 1 . . . . 68 VAL CG1 . 17327 1 448 . 1 1 51 51 VAL CG2 C 13 25.098 0.400 . 1 . . . . 68 VAL CG2 . 17327 1 449 . 1 1 51 51 VAL N N 15 117.894 0.400 . 1 . . . . 68 VAL N . 17327 1 450 . 1 1 52 52 THR H H 1 8.194 0.020 . 1 . . . . 69 THR H . 17327 1 451 . 1 1 52 52 THR HA H 1 4.133 0.020 . 1 . . . . 69 THR HA . 17327 1 452 . 1 1 52 52 THR HG21 H 1 1.410 0.020 . 1 . . . . 69 THR HG21 . 17327 1 453 . 1 1 52 52 THR HG22 H 1 1.410 0.020 . 1 . . . . 69 THR HG22 . 17327 1 454 . 1 1 52 52 THR HG23 H 1 1.410 0.020 . 1 . . . . 69 THR HG23 . 17327 1 455 . 1 1 52 52 THR C C 13 177.261 0.400 . 1 . . . . 69 THR C . 17327 1 456 . 1 1 52 52 THR CA C 13 66.173 0.400 . 1 . . . . 69 THR CA . 17327 1 457 . 1 1 52 52 THR CB C 13 72.260 0.400 . 1 . . . . 69 THR CB . 17327 1 458 . 1 1 52 52 THR CG2 C 13 22.884 0.400 . 1 . . . . 69 THR CG2 . 17327 1 459 . 1 1 52 52 THR N N 15 107.470 0.400 . 1 . . . . 69 THR N . 17327 1 460 . 1 1 53 53 GLY H H 1 8.787 0.020 . 1 . . . . 70 GLY H . 17327 1 461 . 1 1 53 53 GLY C C 13 175.232 0.400 . 1 . . . . 70 GLY C . 17327 1 462 . 1 1 53 53 GLY CA C 13 48.270 0.400 . 1 . . . . 70 GLY CA . 17327 1 463 . 1 1 53 53 GLY N N 15 114.824 0.400 . 1 . . . . 70 GLY N . 17327 1 464 . 1 1 54 54 ILE H H 1 8.704 0.020 . 1 . . . . 71 ILE H . 17327 1 465 . 1 1 54 54 ILE HG21 H 1 1.003 0.020 . 1 . . . . 71 ILE HG21 . 17327 1 466 . 1 1 54 54 ILE HG22 H 1 1.003 0.020 . 1 . . . . 71 ILE HG22 . 17327 1 467 . 1 1 54 54 ILE HG23 H 1 1.003 0.020 . 1 . . . . 71 ILE HG23 . 17327 1 468 . 1 1 54 54 ILE HD11 H 1 0.851 0.020 . 1 . . . . 71 ILE HD11 . 17327 1 469 . 1 1 54 54 ILE HD12 H 1 0.851 0.020 . 1 . . . . 71 ILE HD12 . 17327 1 470 . 1 1 54 54 ILE HD13 H 1 0.851 0.020 . 1 . . . . 71 ILE HD13 . 17327 1 471 . 1 1 54 54 ILE CA C 13 65.920 0.400 . 1 . . . . 71 ILE CA . 17327 1 472 . 1 1 54 54 ILE CG2 C 13 17.895 0.400 . 1 . . . . 71 ILE CG2 . 17327 1 473 . 1 1 54 54 ILE CD1 C 13 14.037 0.400 . 1 . . . . 71 ILE CD1 . 17327 1 474 . 1 1 54 54 ILE N N 15 122.340 0.400 . 1 . . . . 71 ILE N . 17327 1 475 . 1 1 55 55 ALA H H 1 7.831 0.020 . 1 . . . . 72 ALA H . 17327 1 476 . 1 1 55 55 ALA HA H 1 5.088 0.020 . 1 . . . . 72 ALA HA . 17327 1 477 . 1 1 55 55 ALA C C 13 179.652 0.400 . 1 . . . . 72 ALA C . 17327 1 478 . 1 1 55 55 ALA CA C 13 55.284 0.400 . 1 . . . . 72 ALA CA . 17327 1 479 . 1 1 55 55 ALA N N 15 119.465 0.400 . 1 . . . . 72 ALA N . 17327 1 480 . 1 1 56 56 PHE H H 1 9.055 0.020 . 1 . . . . 73 PHE H . 17327 1 481 . 1 1 56 56 PHE C C 13 175.100 0.400 . 1 . . . . 73 PHE C . 17327 1 482 . 1 1 56 56 PHE CA C 13 61.940 0.400 . 1 . . . . 73 PHE CA . 17327 1 483 . 1 1 56 56 PHE N N 15 120.530 0.400 . 1 . . . . 73 PHE N . 17327 1 484 . 1 1 57 57 TRP H H 1 7.875 0.020 . 1 . . . . 74 TRP H . 17327 1 485 . 1 1 57 57 TRP C C 13 178.200 0.400 . 1 . . . . 74 TRP C . 17327 1 486 . 1 1 57 57 TRP CA C 13 59.930 0.400 . 1 . . . . 74 TRP CA . 17327 1 487 . 1 1 57 57 TRP N N 15 120.399 0.400 . 1 . . . . 74 TRP N . 17327 1 488 . 1 1 58 58 HIS H H 1 8.251 0.020 . 1 . . . . 75 HIS H . 17327 1 489 . 1 1 58 58 HIS CA C 13 59.530 0.400 . 1 . . . . 75 HIS CA . 17327 1 490 . 1 1 58 58 HIS N N 15 114.172 0.400 . 1 . . . . 75 HIS N . 17327 1 491 . 1 1 61 61 TYR HA H 1 3.990 0.020 . 1 . . . . 78 TYR HA . 17327 1 492 . 1 1 61 61 TYR C C 13 178.968 0.400 . 1 . . . . 78 TYR C . 17327 1 493 . 1 1 61 61 TYR CA C 13 64.217 0.400 . 1 . . . . 78 TYR CA . 17327 1 494 . 1 1 62 62 MET H H 1 7.750 0.020 . 1 . . . . 79 MET H . 17327 1 495 . 1 1 62 62 MET N N 15 117.378 0.400 . 1 . . . . 79 MET N . 17327 1 496 . 1 1 63 63 ARG HA H 1 3.061 0.020 . 1 . . . . 80 ARG HA . 17327 1 497 . 1 1 63 63 ARG C C 13 177.216 0.400 . 1 . . . . 80 ARG C . 17327 1 498 . 1 1 63 63 ARG CA C 13 59.283 0.400 . 1 . . . . 80 ARG CA . 17327 1 499 . 1 1 63 63 ARG CB C 13 29.873 0.400 . 1 . . . . 80 ARG CB . 17327 1 500 . 1 1 64 64 GLY H H 1 7.161 0.020 . 1 . . . . 81 GLY H . 17327 1 501 . 1 1 64 64 GLY C C 13 175.520 0.400 . 1 . . . . 81 GLY C . 17327 1 502 . 1 1 64 64 GLY CA C 13 47.370 0.400 . 1 . . . . 81 GLY CA . 17327 1 503 . 1 1 64 64 GLY N N 15 104.370 0.400 . 1 . . . . 81 GLY N . 17327 1 504 . 1 1 65 65 VAL H H 1 7.760 0.020 . 1 . . . . 82 VAL H . 17327 1 505 . 1 1 65 65 VAL HA H 1 3.806 0.020 . 1 . . . . 82 VAL HA . 17327 1 506 . 1 1 65 65 VAL HG11 H 1 0.968 0.020 . 2 . . . . 82 VAL HG11 . 17327 1 507 . 1 1 65 65 VAL HG12 H 1 0.968 0.020 . 2 . . . . 82 VAL HG12 . 17327 1 508 . 1 1 65 65 VAL HG13 H 1 0.968 0.020 . 2 . . . . 82 VAL HG13 . 17327 1 509 . 1 1 65 65 VAL HG21 H 1 1.104 0.020 . 2 . . . . 82 VAL HG21 . 17327 1 510 . 1 1 65 65 VAL HG22 H 1 1.104 0.020 . 2 . . . . 82 VAL HG22 . 17327 1 511 . 1 1 65 65 VAL HG23 H 1 1.104 0.020 . 2 . . . . 82 VAL HG23 . 17327 1 512 . 1 1 65 65 VAL C C 13 179.262 0.400 . 1 . . . . 82 VAL C . 17327 1 513 . 1 1 65 65 VAL CA C 13 66.342 0.400 . 1 . . . . 82 VAL CA . 17327 1 514 . 1 1 65 65 VAL CB C 13 32.595 0.400 . 1 . . . . 82 VAL CB . 17327 1 515 . 1 1 65 65 VAL CG1 C 13 21.516 0.400 . 1 . . . . 82 VAL CG1 . 17327 1 516 . 1 1 65 65 VAL CG2 C 13 22.975 0.400 . 1 . . . . 82 VAL CG2 . 17327 1 517 . 1 1 65 65 VAL N N 15 120.990 0.400 . 1 . . . . 82 VAL N . 17327 1 518 . 1 1 66 66 TRP H H 1 8.214 0.020 . 1 . . . . 83 TRP H . 17327 1 519 . 1 1 66 66 TRP HA H 1 4.334 0.020 . 1 . . . . 83 TRP HA . 17327 1 520 . 1 1 66 66 TRP HD1 H 1 6.954 0.020 . 1 . . . . 83 TRP HD1 . 17327 1 521 . 1 1 66 66 TRP HE3 H 1 7.419 0.020 . 1 . . . . 83 TRP HE3 . 17327 1 522 . 1 1 66 66 TRP HZ2 H 1 7.512 0.020 . 1 . . . . 83 TRP HZ2 . 17327 1 523 . 1 1 66 66 TRP HZ3 H 1 6.810 0.020 . 1 . . . . 83 TRP HZ3 . 17327 1 524 . 1 1 66 66 TRP HH2 H 1 7.023 0.020 . 1 . . . . 83 TRP HH2 . 17327 1 525 . 1 1 66 66 TRP C C 13 178.793 0.400 . 1 . . . . 83 TRP C . 17327 1 526 . 1 1 66 66 TRP CA C 13 60.809 0.400 . 1 . . . . 83 TRP CA . 17327 1 527 . 1 1 66 66 TRP CB C 13 29.700 0.400 . 1 . . . . 83 TRP CB . 17327 1 528 . 1 1 66 66 TRP CD1 C 13 125.798 0.400 . 1 . . . . 83 TRP CD1 . 17327 1 529 . 1 1 66 66 TRP CE3 C 13 120.421 0.400 . 1 . . . . 83 TRP CE3 . 17327 1 530 . 1 1 66 66 TRP CZ2 C 13 114.444 0.400 . 1 . . . . 83 TRP CZ2 . 17327 1 531 . 1 1 66 66 TRP CZ3 C 13 121.793 0.400 . 1 . . . . 83 TRP CZ3 . 17327 1 532 . 1 1 66 66 TRP CH2 C 13 124.041 0.400 . 1 . . . . 83 TRP CH2 . 17327 1 533 . 1 1 66 66 TRP N N 15 123.010 0.400 . 1 . . . . 83 TRP N . 17327 1 534 . 1 1 66 66 TRP NE1 N 15 129.400 0.400 . 1 . . . . 83 TRP NE1 . 17327 1 535 . 1 1 67 67 ILE H H 1 8.320 0.020 . 1 . . . . 84 ILE H . 17327 1 536 . 1 1 67 67 ILE HA H 1 3.655 0.020 . 1 . . . . 84 ILE HA . 17327 1 537 . 1 1 67 67 ILE HG21 H 1 1.003 0.020 . 1 . . . . 84 ILE HG21 . 17327 1 538 . 1 1 67 67 ILE HG22 H 1 1.003 0.020 . 1 . . . . 84 ILE HG22 . 17327 1 539 . 1 1 67 67 ILE HG23 H 1 1.003 0.020 . 1 . . . . 84 ILE HG23 . 17327 1 540 . 1 1 67 67 ILE HD11 H 1 0.939 0.020 . 1 . . . . 84 ILE HD11 . 17327 1 541 . 1 1 67 67 ILE HD12 H 1 0.939 0.020 . 1 . . . . 84 ILE HD12 . 17327 1 542 . 1 1 67 67 ILE HD13 H 1 0.939 0.020 . 1 . . . . 84 ILE HD13 . 17327 1 543 . 1 1 67 67 ILE C C 13 177.669 0.400 . 1 . . . . 84 ILE C . 17327 1 544 . 1 1 67 67 ILE CA C 13 63.920 0.400 . 1 . . . . 84 ILE CA . 17327 1 545 . 1 1 67 67 ILE CB C 13 38.097 0.400 . 1 . . . . 84 ILE CB . 17327 1 546 . 1 1 67 67 ILE CG2 C 13 17.617 0.400 . 1 . . . . 84 ILE CG2 . 17327 1 547 . 1 1 67 67 ILE CD1 C 13 13.325 0.400 . 1 . . . . 84 ILE CD1 . 17327 1 548 . 1 1 67 67 ILE N N 15 116.823 0.400 . 1 . . . . 84 ILE N . 17327 1 549 . 1 1 68 68 GLU H H 1 7.938 0.020 . 1 . . . . 85 GLU H . 17327 1 550 . 1 1 68 68 GLU C C 13 178.200 0.400 . 1 . . . . 85 GLU C . 17327 1 551 . 1 1 68 68 GLU CA C 13 58.740 0.400 . 1 . . . . 85 GLU CA . 17327 1 552 . 1 1 68 68 GLU CB C 13 30.380 0.400 . 1 . . . . 85 GLU CB . 17327 1 553 . 1 1 68 68 GLU N N 15 117.508 0.400 . 1 . . . . 85 GLU N . 17327 1 554 . 1 1 69 69 THR H H 1 7.971 0.020 . 1 . . . . 86 THR H . 17327 1 555 . 1 1 69 69 THR HA H 1 4.545 0.020 . 1 . . . . 86 THR HA . 17327 1 556 . 1 1 69 69 THR HG21 H 1 1.261 0.020 . 1 . . . . 86 THR HG21 . 17327 1 557 . 1 1 69 69 THR HG22 H 1 1.261 0.020 . 1 . . . . 86 THR HG22 . 17327 1 558 . 1 1 69 69 THR HG23 H 1 1.261 0.020 . 1 . . . . 86 THR HG23 . 17327 1 559 . 1 1 69 69 THR C C 13 175.619 0.400 . 1 . . . . 86 THR C . 17327 1 560 . 1 1 69 69 THR CA C 13 62.072 0.400 . 1 . . . . 86 THR CA . 17327 1 561 . 1 1 69 69 THR CB C 13 72.453 0.400 . 1 . . . . 86 THR CB . 17327 1 562 . 1 1 69 69 THR CG2 C 13 21.563 0.400 . 1 . . . . 86 THR CG2 . 17327 1 563 . 1 1 69 69 THR N N 15 105.302 0.400 . 1 . . . . 86 THR N . 17327 1 564 . 1 1 70 70 GLY H H 1 7.915 0.020 . 1 . . . . 87 GLY H . 17327 1 565 . 1 1 70 70 GLY C C 13 172.158 0.400 . 1 . . . . 87 GLY C . 17327 1 566 . 1 1 70 70 GLY CA C 13 45.655 0.400 . 1 . . . . 87 GLY CA . 17327 1 567 . 1 1 70 70 GLY N N 15 111.590 0.400 . 1 . . . . 87 GLY N . 17327 1 568 . 1 1 71 71 ASP H H 1 7.684 0.020 . 1 . . . . 88 ASP H . 17327 1 569 . 1 1 71 71 ASP HA H 1 4.892 0.020 . 1 . . . . 88 ASP HA . 17327 1 570 . 1 1 71 71 ASP C C 13 174.884 0.400 . 1 . . . . 88 ASP C . 17327 1 571 . 1 1 71 71 ASP CA C 13 51.956 0.400 . 1 . . . . 88 ASP CA . 17327 1 572 . 1 1 71 71 ASP CB C 13 42.173 0.400 . 1 . . . . 88 ASP CB . 17327 1 573 . 1 1 71 71 ASP N N 15 118.129 0.400 . 1 . . . . 88 ASP N . 17327 1 574 . 1 1 72 72 SER H H 1 8.520 0.020 . 1 . . . . 89 SER H . 17327 1 575 . 1 1 72 72 SER CA C 13 57.190 0.400 . 1 . . . . 89 SER CA . 17327 1 576 . 1 1 72 72 SER CB C 13 63.710 0.400 . 1 . . . . 89 SER CB . 17327 1 577 . 1 1 72 72 SER N N 15 114.120 0.400 . 1 . . . . 89 SER N . 17327 1 578 . 1 1 73 73 PRO HA H 1 4.211 0.020 . 1 . . . . 90 PRO HA . 17327 1 579 . 1 1 73 73 PRO HB2 H 1 2.926 0.020 . 1 . . . . 90 PRO HB2 . 17327 1 580 . 1 1 73 73 PRO HB3 H 1 2.926 0.020 . 1 . . . . 90 PRO HB3 . 17327 1 581 . 1 1 73 73 PRO C C 13 176.298 0.400 . 1 . . . . 90 PRO C . 17327 1 582 . 1 1 73 73 PRO CA C 13 63.964 0.400 . 1 . . . . 90 PRO CA . 17327 1 583 . 1 1 73 73 PRO CB C 13 26.334 0.400 . 1 . . . . 90 PRO CB . 17327 1 584 . 1 1 74 74 THR H H 1 8.251 0.020 . 1 . . . . 91 THR H . 17327 1 585 . 1 1 74 74 THR HA H 1 3.928 0.020 . 1 . . . . 91 THR HA . 17327 1 586 . 1 1 74 74 THR HG21 H 1 1.252 0.020 . 1 . . . . 91 THR HG21 . 17327 1 587 . 1 1 74 74 THR HG22 H 1 1.252 0.020 . 1 . . . . 91 THR HG22 . 17327 1 588 . 1 1 74 74 THR HG23 H 1 1.252 0.020 . 1 . . . . 91 THR HG23 . 17327 1 589 . 1 1 74 74 THR C C 13 175.496 0.400 . 1 . . . . 91 THR C . 17327 1 590 . 1 1 74 74 THR CA C 13 66.818 0.400 . 1 . . . . 91 THR CA . 17327 1 591 . 1 1 74 74 THR CB C 13 69.527 0.400 . 1 . . . . 91 THR CB . 17327 1 592 . 1 1 74 74 THR CG2 C 13 23.220 0.400 . 1 . . . . 91 THR CG2 . 17327 1 593 . 1 1 74 74 THR N N 15 119.882 0.400 . 1 . . . . 91 THR N . 17327 1 594 . 1 1 75 75 VAL H H 1 8.420 0.020 . 1 . . . . 92 VAL H . 17327 1 595 . 1 1 75 75 VAL HA H 1 3.648 0.020 . 1 . . . . 92 VAL HA . 17327 1 596 . 1 1 75 75 VAL HB H 1 1.847 0.020 . 1 . . . . 92 VAL HB . 17327 1 597 . 1 1 75 75 VAL HG11 H 1 0.550 0.020 . 2 . . . . 92 VAL HG11 . 17327 1 598 . 1 1 75 75 VAL HG12 H 1 0.550 0.020 . 2 . . . . 92 VAL HG12 . 17327 1 599 . 1 1 75 75 VAL HG13 H 1 0.550 0.020 . 2 . . . . 92 VAL HG13 . 17327 1 600 . 1 1 75 75 VAL HG21 H 1 1.003 0.020 . 2 . . . . 92 VAL HG21 . 17327 1 601 . 1 1 75 75 VAL HG22 H 1 1.003 0.020 . 2 . . . . 92 VAL HG22 . 17327 1 602 . 1 1 75 75 VAL HG23 H 1 1.003 0.020 . 2 . . . . 92 VAL HG23 . 17327 1 603 . 1 1 75 75 VAL C C 13 176.659 0.400 . 1 . . . . 92 VAL C . 17327 1 604 . 1 1 75 75 VAL CA C 13 67.701 0.400 . 1 . . . . 92 VAL CA . 17327 1 605 . 1 1 75 75 VAL CB C 13 31.450 0.400 . 1 . . . . 92 VAL CB . 17327 1 606 . 1 1 75 75 VAL CG1 C 13 20.833 0.400 . 1 . . . . 92 VAL CG1 . 17327 1 607 . 1 1 75 75 VAL CG2 C 13 23.099 0.400 . 1 . . . . 92 VAL CG2 . 17327 1 608 . 1 1 75 75 VAL N N 15 119.082 0.400 . 1 . . . . 92 VAL N . 17327 1 609 . 1 1 76 76 PHE H H 1 7.115 0.020 . 1 . . . . 93 PHE H . 17327 1 610 . 1 1 76 76 PHE HA H 1 3.985 0.020 . 1 . . . . 93 PHE HA . 17327 1 611 . 1 1 76 76 PHE C C 13 176.999 0.400 . 1 . . . . 93 PHE C . 17327 1 612 . 1 1 76 76 PHE CA C 13 61.280 0.400 . 1 . . . . 93 PHE CA . 17327 1 613 . 1 1 76 76 PHE CB C 13 40.060 0.400 . 1 . . . . 93 PHE CB . 17327 1 614 . 1 1 76 76 PHE N N 15 115.915 0.400 . 1 . . . . 93 PHE N . 17327 1 615 . 1 1 77 77 ARG H H 1 8.321 0.020 . 1 . . . . 94 ARG H . 17327 1 616 . 1 1 77 77 ARG HA H 1 3.433 0.020 . 1 . . . . 94 ARG HA . 17327 1 617 . 1 1 77 77 ARG C C 13 176.627 0.400 . 1 . . . . 94 ARG C . 17327 1 618 . 1 1 77 77 ARG CA C 13 58.673 0.400 . 1 . . . . 94 ARG CA . 17327 1 619 . 1 1 77 77 ARG CB C 13 28.532 0.400 . 1 . . . . 94 ARG CB . 17327 1 620 . 1 1 77 77 ARG N N 15 120.203 0.400 . 1 . . . . 94 ARG N . 17327 1 621 . 1 1 78 78 TYR H H 1 7.960 0.020 . 1 . . . . 95 TYR H . 17327 1 622 . 1 1 78 78 TYR HA H 1 3.705 0.020 . 1 . . . . 95 TYR HA . 17327 1 623 . 1 1 78 78 TYR C C 13 179.060 0.400 . 1 . . . . 95 TYR C . 17327 1 624 . 1 1 78 78 TYR CA C 13 64.071 0.400 . 1 . . . . 95 TYR CA . 17327 1 625 . 1 1 78 78 TYR CB C 13 38.563 0.400 . 1 . . . . 95 TYR CB . 17327 1 626 . 1 1 78 78 TYR N N 15 114.279 0.400 . 1 . . . . 95 TYR N . 17327 1 627 . 1 1 79 79 ILE H H 1 8.325 0.020 . 1 . . . . 96 ILE H . 17327 1 628 . 1 1 79 79 ILE HG21 H 1 0.656 0.020 . 1 . . . . 96 ILE HG21 . 17327 1 629 . 1 1 79 79 ILE HG22 H 1 0.656 0.020 . 1 . . . . 96 ILE HG22 . 17327 1 630 . 1 1 79 79 ILE HG23 H 1 0.656 0.020 . 1 . . . . 96 ILE HG23 . 17327 1 631 . 1 1 79 79 ILE HD11 H 1 0.563 0.020 . 1 . . . . 96 ILE HD11 . 17327 1 632 . 1 1 79 79 ILE HD12 H 1 0.563 0.020 . 1 . . . . 96 ILE HD12 . 17327 1 633 . 1 1 79 79 ILE HD13 H 1 0.563 0.020 . 1 . . . . 96 ILE HD13 . 17327 1 634 . 1 1 79 79 ILE CA C 13 65.542 0.400 . 1 . . . . 96 ILE CA . 17327 1 635 . 1 1 79 79 ILE CG2 C 13 17.245 0.400 . 1 . . . . 96 ILE CG2 . 17327 1 636 . 1 1 79 79 ILE CD1 C 13 13.364 0.400 . 1 . . . . 96 ILE CD1 . 17327 1 637 . 1 1 79 79 ILE N N 15 119.805 0.400 . 1 . . . . 96 ILE N . 17327 1 638 . 1 1 80 80 ASP H H 1 7.676 0.020 . 1 . . . . 97 ASP H . 17327 1 639 . 1 1 80 80 ASP N N 15 116.003 0.400 . 1 . . . . 97 ASP N . 17327 1 640 . 1 1 81 81 TRP HA H 1 4.373 0.020 . 1 . . . . 98 TRP HA . 17327 1 641 . 1 1 81 81 TRP C C 13 177.043 0.400 . 1 . . . . 98 TRP C . 17327 1 642 . 1 1 81 81 TRP CA C 13 58.181 0.400 . 1 . . . . 98 TRP CA . 17327 1 643 . 1 1 82 82 LEU H H 1 8.867 0.020 . 1 . . . . 99 LEU H . 17327 1 644 . 1 1 82 82 LEU HA H 1 3.800 0.020 . 1 . . . . 99 LEU HA . 17327 1 645 . 1 1 82 82 LEU HG H 1 1.588 0.020 . 1 . . . . 99 LEU HG . 17327 1 646 . 1 1 82 82 LEU HD11 H 1 0.884 0.020 . 2 . . . . 99 LEU HD11 . 17327 1 647 . 1 1 82 82 LEU HD12 H 1 0.884 0.020 . 2 . . . . 99 LEU HD12 . 17327 1 648 . 1 1 82 82 LEU HD13 H 1 0.884 0.020 . 2 . . . . 99 LEU HD13 . 17327 1 649 . 1 1 82 82 LEU HD21 H 1 0.784 0.020 . 2 . . . . 99 LEU HD21 . 17327 1 650 . 1 1 82 82 LEU HD22 H 1 0.784 0.020 . 2 . . . . 99 LEU HD22 . 17327 1 651 . 1 1 82 82 LEU HD23 H 1 0.784 0.020 . 2 . . . . 99 LEU HD23 . 17327 1 652 . 1 1 82 82 LEU C C 13 174.914 0.400 . 1 . . . . 99 LEU C . 17327 1 653 . 1 1 82 82 LEU CA C 13 58.068 0.400 . 1 . . . . 99 LEU CA . 17327 1 654 . 1 1 82 82 LEU CB C 13 41.998 0.400 . 1 . . . . 99 LEU CB . 17327 1 655 . 1 1 82 82 LEU CG C 13 27.097 0.400 . 1 . . . . 99 LEU CG . 17327 1 656 . 1 1 82 82 LEU CD1 C 13 25.086 0.400 . 1 . . . . 99 LEU CD1 . 17327 1 657 . 1 1 82 82 LEU CD2 C 13 24.117 0.400 . 1 . . . . 99 LEU CD2 . 17327 1 658 . 1 1 82 82 LEU N N 15 120.536 0.400 . 1 . . . . 99 LEU N . 17327 1 659 . 1 1 83 83 LEU H H 1 7.154 0.020 . 1 . . . . 100 LEU H . 17327 1 660 . 1 1 83 83 LEU HA H 1 4.496 0.020 . 1 . . . . 100 LEU HA . 17327 1 661 . 1 1 83 83 LEU HG H 1 2.038 0.020 . 1 . . . . 100 LEU HG . 17327 1 662 . 1 1 83 83 LEU HD11 H 1 1.024 0.020 . 2 . . . . 100 LEU HD11 . 17327 1 663 . 1 1 83 83 LEU HD12 H 1 1.024 0.020 . 2 . . . . 100 LEU HD12 . 17327 1 664 . 1 1 83 83 LEU HD13 H 1 1.024 0.020 . 2 . . . . 100 LEU HD13 . 17327 1 665 . 1 1 83 83 LEU HD21 H 1 0.901 0.020 . 2 . . . . 100 LEU HD21 . 17327 1 666 . 1 1 83 83 LEU HD22 H 1 0.901 0.020 . 2 . . . . 100 LEU HD22 . 17327 1 667 . 1 1 83 83 LEU HD23 H 1 0.901 0.020 . 2 . . . . 100 LEU HD23 . 17327 1 668 . 1 1 83 83 LEU C C 13 178.137 0.400 . 1 . . . . 100 LEU C . 17327 1 669 . 1 1 83 83 LEU CA C 13 56.106 0.400 . 1 . . . . 100 LEU CA . 17327 1 670 . 1 1 83 83 LEU CB C 13 43.973 0.400 . 1 . . . . 100 LEU CB . 17327 1 671 . 1 1 83 83 LEU CG C 13 27.514 0.400 . 1 . . . . 100 LEU CG . 17327 1 672 . 1 1 83 83 LEU CD1 C 13 25.956 0.400 . 1 . . . . 100 LEU CD1 . 17327 1 673 . 1 1 83 83 LEU CD2 C 13 23.274 0.400 . 1 . . . . 100 LEU CD2 . 17327 1 674 . 1 1 83 83 LEU N N 15 109.425 0.400 . 1 . . . . 100 LEU N . 17327 1 675 . 1 1 84 84 THR H H 1 8.321 0.020 . 1 . . . . 101 THR H . 17327 1 676 . 1 1 84 84 THR HA H 1 4.342 0.020 . 1 . . . . 101 THR HA . 17327 1 677 . 1 1 84 84 THR HG21 H 1 1.584 0.020 . 1 . . . . 101 THR HG21 . 17327 1 678 . 1 1 84 84 THR HG22 H 1 1.584 0.020 . 1 . . . . 101 THR HG22 . 17327 1 679 . 1 1 84 84 THR HG23 H 1 1.584 0.020 . 1 . . . . 101 THR HG23 . 17327 1 680 . 1 1 84 84 THR C C 13 177.538 0.400 . 1 . . . . 101 THR C . 17327 1 681 . 1 1 84 84 THR CA C 13 65.218 0.400 . 1 . . . . 101 THR CA . 17327 1 682 . 1 1 84 84 THR CB C 13 71.195 0.400 . 1 . . . . 101 THR CB . 17327 1 683 . 1 1 84 84 THR CG2 C 13 23.353 0.400 . 1 . . . . 101 THR CG2 . 17327 1 684 . 1 1 84 84 THR N N 15 105.330 0.400 . 1 . . . . 101 THR N . 17327 1 685 . 1 1 85 85 VAL H H 1 9.099 0.020 . 1 . . . . 102 VAL H . 17327 1 686 . 1 1 85 85 VAL HA H 1 3.749 0.020 . 1 . . . . 102 VAL HA . 17327 1 687 . 1 1 85 85 VAL HG11 H 1 0.759 0.020 . 2 . . . . 102 VAL HG11 . 17327 1 688 . 1 1 85 85 VAL HG12 H 1 0.759 0.020 . 2 . . . . 102 VAL HG12 . 17327 1 689 . 1 1 85 85 VAL HG13 H 1 0.759 0.020 . 2 . . . . 102 VAL HG13 . 17327 1 690 . 1 1 85 85 VAL HG21 H 1 0.151 0.020 . 2 . . . . 102 VAL HG21 . 17327 1 691 . 1 1 85 85 VAL HG22 H 1 0.151 0.020 . 2 . . . . 102 VAL HG22 . 17327 1 692 . 1 1 85 85 VAL HG23 H 1 0.151 0.020 . 2 . . . . 102 VAL HG23 . 17327 1 693 . 1 1 85 85 VAL C C 13 175.767 0.400 . 1 . . . . 102 VAL C . 17327 1 694 . 1 1 85 85 VAL CA C 13 69.562 0.400 . 1 . . . . 102 VAL CA . 17327 1 695 . 1 1 85 85 VAL CB C 13 28.138 0.400 . 1 . . . . 102 VAL CB . 17327 1 696 . 1 1 85 85 VAL CG1 C 13 21.439 0.400 . 1 . . . . 102 VAL CG1 . 17327 1 697 . 1 1 85 85 VAL CG2 C 13 24.548 0.400 . 1 . . . . 102 VAL CG2 . 17327 1 698 . 1 1 85 85 VAL N N 15 124.266 0.400 . 1 . . . . 102 VAL N . 17327 1 699 . 1 1 86 86 PRO HA H 1 4.141 0.020 . 1 . . . . 103 PRO HA . 17327 1 700 . 1 1 86 86 PRO HB2 H 1 2.267 0.020 . 1 . . . . 103 PRO HB2 . 17327 1 701 . 1 1 86 86 PRO HB3 H 1 2.267 0.020 . 1 . . . . 103 PRO HB3 . 17327 1 702 . 1 1 86 86 PRO C C 13 178.506 0.400 . 1 . . . . 103 PRO C . 17327 1 703 . 1 1 86 86 PRO CA C 13 66.553 0.400 . 1 . . . . 103 PRO CA . 17327 1 704 . 1 1 86 86 PRO CB C 13 31.511 0.400 . 1 . . . . 103 PRO CB . 17327 1 705 . 1 1 87 87 LEU H H 1 6.672 0.020 . 1 . . . . 104 LEU H . 17327 1 706 . 1 1 87 87 LEU HA H 1 4.114 0.020 . 1 . . . . 104 LEU HA . 17327 1 707 . 1 1 87 87 LEU HG H 1 2.013 0.020 . 1 . . . . 104 LEU HG . 17327 1 708 . 1 1 87 87 LEU HD11 H 1 0.927 0.020 . 2 . . . . 104 LEU HD11 . 17327 1 709 . 1 1 87 87 LEU HD12 H 1 0.927 0.020 . 2 . . . . 104 LEU HD12 . 17327 1 710 . 1 1 87 87 LEU HD13 H 1 0.927 0.020 . 2 . . . . 104 LEU HD13 . 17327 1 711 . 1 1 87 87 LEU HD21 H 1 0.848 0.020 . 2 . . . . 104 LEU HD21 . 17327 1 712 . 1 1 87 87 LEU HD22 H 1 0.848 0.020 . 2 . . . . 104 LEU HD22 . 17327 1 713 . 1 1 87 87 LEU HD23 H 1 0.848 0.020 . 2 . . . . 104 LEU HD23 . 17327 1 714 . 1 1 87 87 LEU C C 13 178.366 0.400 . 1 . . . . 104 LEU C . 17327 1 715 . 1 1 87 87 LEU CA C 13 58.148 0.400 . 1 . . . . 104 LEU CA . 17327 1 716 . 1 1 87 87 LEU CB C 13 42.488 0.400 . 1 . . . . 104 LEU CB . 17327 1 717 . 1 1 87 87 LEU CG C 13 27.067 0.400 . 1 . . . . 104 LEU CG . 17327 1 718 . 1 1 87 87 LEU CD1 C 13 26.043 0.400 . 1 . . . . 104 LEU CD1 . 17327 1 719 . 1 1 87 87 LEU CD2 C 13 22.804 0.400 . 1 . . . . 104 LEU CD2 . 17327 1 720 . 1 1 87 87 LEU N N 15 114.483 0.400 . 1 . . . . 104 LEU N . 17327 1 721 . 1 1 88 88 LEU H H 1 8.192 0.020 . 1 . . . . 105 LEU H . 17327 1 722 . 1 1 88 88 LEU HA H 1 4.071 0.020 . 1 . . . . 105 LEU HA . 17327 1 723 . 1 1 88 88 LEU HD11 H 1 1.076 0.020 . 2 . . . . 105 LEU HD11 . 17327 1 724 . 1 1 88 88 LEU HD12 H 1 1.076 0.020 . 2 . . . . 105 LEU HD12 . 17327 1 725 . 1 1 88 88 LEU HD13 H 1 1.076 0.020 . 2 . . . . 105 LEU HD13 . 17327 1 726 . 1 1 88 88 LEU HD21 H 1 1.094 0.020 . 2 . . . . 105 LEU HD21 . 17327 1 727 . 1 1 88 88 LEU HD22 H 1 1.094 0.020 . 2 . . . . 105 LEU HD22 . 17327 1 728 . 1 1 88 88 LEU HD23 H 1 1.094 0.020 . 2 . . . . 105 LEU HD23 . 17327 1 729 . 1 1 88 88 LEU C C 13 178.883 0.400 . 1 . . . . 105 LEU C . 17327 1 730 . 1 1 88 88 LEU CA C 13 58.406 0.400 . 1 . . . . 105 LEU CA . 17327 1 731 . 1 1 88 88 LEU CB C 13 41.912 0.400 . 1 . . . . 105 LEU CB . 17327 1 732 . 1 1 88 88 LEU CD1 C 13 26.821 0.400 . 1 . . . . 105 LEU CD1 . 17327 1 733 . 1 1 88 88 LEU CD2 C 13 23.942 0.400 . 1 . . . . 105 LEU CD2 . 17327 1 734 . 1 1 88 88 LEU N N 15 120.950 0.400 . 1 . . . . 105 LEU N . 17327 1 735 . 1 1 89 89 ILE H H 1 8.276 0.020 . 1 . . . . 106 ILE H . 17327 1 736 . 1 1 89 89 ILE N N 15 117.664 0.400 . 1 . . . . 106 ILE N . 17327 1 737 . 1 1 91 91 GLU HA H 1 4.184 0.020 . 1 . . . . 108 GLU HA . 17327 1 738 . 1 1 91 91 GLU C C 13 178.047 0.400 . 1 . . . . 108 GLU C . 17327 1 739 . 1 1 91 91 GLU CA C 13 59.838 0.400 . 1 . . . . 108 GLU CA . 17327 1 740 . 1 1 91 91 GLU CB C 13 28.194 0.400 . 1 . . . . 108 GLU CB . 17327 1 741 . 1 1 92 92 PHE H H 1 8.268 0.020 . 1 . . . . 109 PHE H . 17327 1 742 . 1 1 92 92 PHE N N 15 116.980 0.400 . 1 . . . . 109 PHE N . 17327 1 743 . 1 1 93 93 TYR HA H 1 3.636 0.020 . 1 . . . . 110 TYR HA . 17327 1 744 . 1 1 93 93 TYR C C 13 176.030 0.400 . 1 . . . . 110 TYR C . 17327 1 745 . 1 1 93 93 TYR CA C 13 62.098 0.400 . 1 . . . . 110 TYR CA . 17327 1 746 . 1 1 93 93 TYR CB C 13 37.982 0.400 . 1 . . . . 110 TYR CB . 17327 1 747 . 1 1 94 94 LEU H H 1 8.401 0.020 . 1 . . . . 111 LEU H . 17327 1 748 . 1 1 94 94 LEU C C 13 176.841 0.400 . 1 . . . . 111 LEU C . 17327 1 749 . 1 1 94 94 LEU CA C 13 58.190 0.400 . 1 . . . . 111 LEU CA . 17327 1 750 . 1 1 94 94 LEU CB C 13 41.950 0.400 . 1 . . . . 111 LEU CB . 17327 1 751 . 1 1 94 94 LEU N N 15 117.989 0.400 . 1 . . . . 111 LEU N . 17327 1 752 . 1 1 95 95 ILE H H 1 7.970 0.020 . 1 . . . . 112 ILE H . 17327 1 753 . 1 1 95 95 ILE N N 15 117.576 0.400 . 1 . . . . 112 ILE N . 17327 1 754 . 1 1 96 96 LEU HA H 1 4.035 0.020 . 1 . . . . 113 LEU HA . 17327 1 755 . 1 1 96 96 LEU HB2 H 1 1.772 0.020 . 1 . . . . 113 LEU HB2 . 17327 1 756 . 1 1 96 96 LEU HB3 H 1 1.772 0.020 . 1 . . . . 113 LEU HB3 . 17327 1 757 . 1 1 96 96 LEU HD11 H 1 0.964 0.020 . 1 . . . . 113 LEU HD11 . 17327 1 758 . 1 1 96 96 LEU HD12 H 1 0.964 0.020 . 1 . . . . 113 LEU HD12 . 17327 1 759 . 1 1 96 96 LEU HD13 H 1 0.964 0.020 . 1 . . . . 113 LEU HD13 . 17327 1 760 . 1 1 96 96 LEU C C 13 179.033 0.400 . 1 . . . . 113 LEU C . 17327 1 761 . 1 1 96 96 LEU CA C 13 57.669 0.400 . 1 . . . . 113 LEU CA . 17327 1 762 . 1 1 96 96 LEU CB C 13 42.193 0.400 . 1 . . . . 113 LEU CB . 17327 1 763 . 1 1 96 96 LEU CD1 C 13 25.375 0.400 . 1 . . . . 113 LEU CD1 . 17327 1 764 . 1 1 97 97 ALA H H 1 8.744 0.020 . 1 . . . . 114 ALA H . 17327 1 765 . 1 1 97 97 ALA HA H 1 4.193 0.020 . 1 . . . . 114 ALA HA . 17327 1 766 . 1 1 97 97 ALA HB1 H 1 0.927 0.020 . 1 . . . . 114 ALA HB1 . 17327 1 767 . 1 1 97 97 ALA HB2 H 1 0.927 0.020 . 1 . . . . 114 ALA HB2 . 17327 1 768 . 1 1 97 97 ALA HB3 H 1 0.927 0.020 . 1 . . . . 114 ALA HB3 . 17327 1 769 . 1 1 97 97 ALA C C 13 178.661 0.400 . 1 . . . . 114 ALA C . 17327 1 770 . 1 1 97 97 ALA CA C 13 53.918 0.400 . 1 . . . . 114 ALA CA . 17327 1 771 . 1 1 97 97 ALA CB C 13 17.569 0.400 . 1 . . . . 114 ALA CB . 17327 1 772 . 1 1 97 97 ALA N N 15 121.207 0.400 . 1 . . . . 114 ALA N . 17327 1 773 . 1 1 98 98 ALA H H 1 7.257 0.020 . 1 . . . . 115 ALA H . 17327 1 774 . 1 1 98 98 ALA HA H 1 4.124 0.020 . 1 . . . . 115 ALA HA . 17327 1 775 . 1 1 98 98 ALA HB1 H 1 1.280 0.020 . 1 . . . . 115 ALA HB1 . 17327 1 776 . 1 1 98 98 ALA HB2 H 1 1.280 0.020 . 1 . . . . 115 ALA HB2 . 17327 1 777 . 1 1 98 98 ALA HB3 H 1 1.280 0.020 . 1 . . . . 115 ALA HB3 . 17327 1 778 . 1 1 98 98 ALA C C 13 178.047 0.400 . 1 . . . . 115 ALA C . 17327 1 779 . 1 1 98 98 ALA CA C 13 53.248 0.400 . 1 . . . . 115 ALA CA . 17327 1 780 . 1 1 98 98 ALA CB C 13 18.281 0.400 . 1 . . . . 115 ALA CB . 17327 1 781 . 1 1 98 98 ALA N N 15 118.008 0.400 . 1 . . . . 115 ALA N . 17327 1 782 . 1 1 99 99 ALA H H 1 7.697 0.020 . 1 . . . . 116 ALA H . 17327 1 783 . 1 1 99 99 ALA HA H 1 4.476 0.020 . 1 . . . . 116 ALA HA . 17327 1 784 . 1 1 99 99 ALA HB1 H 1 1.436 0.020 . 1 . . . . 116 ALA HB1 . 17327 1 785 . 1 1 99 99 ALA HB2 H 1 1.436 0.020 . 1 . . . . 116 ALA HB2 . 17327 1 786 . 1 1 99 99 ALA HB3 H 1 1.436 0.020 . 1 . . . . 116 ALA HB3 . 17327 1 787 . 1 1 99 99 ALA C C 13 176.916 0.400 . 1 . . . . 116 ALA C . 17327 1 788 . 1 1 99 99 ALA CA C 13 52.642 0.400 . 1 . . . . 116 ALA CA . 17327 1 789 . 1 1 99 99 ALA CB C 13 21.454 0.400 . 1 . . . . 116 ALA CB . 17327 1 790 . 1 1 99 99 ALA N N 15 118.812 0.400 . 1 . . . . 116 ALA N . 17327 1 791 . 1 1 100 100 THR H H 1 8.117 0.020 . 1 . . . . 117 THR H . 17327 1 792 . 1 1 100 100 THR HA H 1 4.633 0.020 . 1 . . . . 117 THR HA . 17327 1 793 . 1 1 100 100 THR HG21 H 1 1.102 0.020 . 1 . . . . 117 THR HG21 . 17327 1 794 . 1 1 100 100 THR HG22 H 1 1.102 0.020 . 1 . . . . 117 THR HG22 . 17327 1 795 . 1 1 100 100 THR HG23 H 1 1.102 0.020 . 1 . . . . 117 THR HG23 . 17327 1 796 . 1 1 100 100 THR C C 13 172.531 0.400 . 1 . . . . 117 THR C . 17327 1 797 . 1 1 100 100 THR CA C 13 60.308 0.400 . 1 . . . . 117 THR CA . 17327 1 798 . 1 1 100 100 THR CB C 13 70.219 0.400 . 1 . . . . 117 THR CB . 17327 1 799 . 1 1 100 100 THR CG2 C 13 20.001 0.400 . 1 . . . . 117 THR CG2 . 17327 1 800 . 1 1 100 100 THR N N 15 111.906 0.400 . 1 . . . . 117 THR N . 17327 1 801 . 1 1 101 101 ASN H H 1 8.180 0.020 . 1 . . . . 118 ASN H . 17327 1 802 . 1 1 101 101 ASN HA H 1 4.905 0.020 . 1 . . . . 118 ASN HA . 17327 1 803 . 1 1 101 101 ASN HB2 H 1 2.841 0.020 . 1 . . . . 118 ASN HB2 . 17327 1 804 . 1 1 101 101 ASN HB3 H 1 2.841 0.020 . 1 . . . . 118 ASN HB3 . 17327 1 805 . 1 1 101 101 ASN C C 13 175.430 0.400 . 1 . . . . 118 ASN C . 17327 1 806 . 1 1 101 101 ASN CA C 13 53.385 0.400 . 1 . . . . 118 ASN CA . 17327 1 807 . 1 1 101 101 ASN CB C 13 38.644 0.400 . 1 . . . . 118 ASN CB . 17327 1 808 . 1 1 101 101 ASN N N 15 119.741 0.400 . 1 . . . . 118 ASN N . 17327 1 809 . 1 1 102 102 VAL H H 1 7.951 0.020 . 1 . . . . 119 VAL H . 17327 1 810 . 1 1 102 102 VAL HA H 1 4.384 0.020 . 1 . . . . 119 VAL HA . 17327 1 811 . 1 1 102 102 VAL HB H 1 2.106 0.020 . 1 . . . . 119 VAL HB . 17327 1 812 . 1 1 102 102 VAL HG11 H 1 0.949 0.020 . 2 . . . . 119 VAL HG11 . 17327 1 813 . 1 1 102 102 VAL HG12 H 1 0.949 0.020 . 2 . . . . 119 VAL HG12 . 17327 1 814 . 1 1 102 102 VAL HG13 H 1 0.949 0.020 . 2 . . . . 119 VAL HG13 . 17327 1 815 . 1 1 102 102 VAL HG21 H 1 0.941 0.020 . 2 . . . . 119 VAL HG21 . 17327 1 816 . 1 1 102 102 VAL HG22 H 1 0.941 0.020 . 2 . . . . 119 VAL HG22 . 17327 1 817 . 1 1 102 102 VAL HG23 H 1 0.941 0.020 . 2 . . . . 119 VAL HG23 . 17327 1 818 . 1 1 102 102 VAL C C 13 174.726 0.400 . 1 . . . . 119 VAL C . 17327 1 819 . 1 1 102 102 VAL CA C 13 61.316 0.400 . 1 . . . . 119 VAL CA . 17327 1 820 . 1 1 102 102 VAL CB C 13 33.322 0.400 . 1 . . . . 119 VAL CB . 17327 1 821 . 1 1 102 102 VAL CG1 C 13 21.221 0.400 . 1 . . . . 119 VAL CG1 . 17327 1 822 . 1 1 102 102 VAL CG2 C 13 20.872 0.400 . 1 . . . . 119 VAL CG2 . 17327 1 823 . 1 1 102 102 VAL N N 15 119.868 0.400 . 1 . . . . 119 VAL N . 17327 1 824 . 1 1 103 103 ALA H H 1 8.320 0.020 . 1 . . . . 120 ALA H . 17327 1 825 . 1 1 103 103 ALA HA H 1 4.462 0.020 . 1 . . . . 120 ALA HA . 17327 1 826 . 1 1 103 103 ALA HB1 H 1 1.551 0.020 . 1 . . . . 120 ALA HB1 . 17327 1 827 . 1 1 103 103 ALA HB2 H 1 1.551 0.020 . 1 . . . . 120 ALA HB2 . 17327 1 828 . 1 1 103 103 ALA HB3 H 1 1.551 0.020 . 1 . . . . 120 ALA HB3 . 17327 1 829 . 1 1 103 103 ALA C C 13 178.823 0.400 . 1 . . . . 120 ALA C . 17327 1 830 . 1 1 103 103 ALA CA C 13 53.016 0.400 . 1 . . . . 120 ALA CA . 17327 1 831 . 1 1 103 103 ALA CB C 13 19.819 0.400 . 1 . . . . 120 ALA CB . 17327 1 832 . 1 1 103 103 ALA N N 15 127.489 0.400 . 1 . . . . 120 ALA N . 17327 1 833 . 1 1 104 104 GLY H H 1 8.776 0.020 . 1 . . . . 121 GLY H . 17327 1 834 . 1 1 104 104 GLY C C 13 175.771 0.400 . 1 . . . . 121 GLY C . 17327 1 835 . 1 1 104 104 GLY CA C 13 47.440 0.400 . 1 . . . . 121 GLY CA . 17327 1 836 . 1 1 104 104 GLY N N 15 108.418 0.400 . 1 . . . . 121 GLY N . 17327 1 837 . 1 1 105 105 SER H H 1 8.133 0.020 . 1 . . . . 122 SER H . 17327 1 838 . 1 1 105 105 SER HA H 1 4.250 0.020 . 1 . . . . 122 SER HA . 17327 1 839 . 1 1 105 105 SER HB2 H 1 4.034 0.020 . 1 . . . . 122 SER HB2 . 17327 1 840 . 1 1 105 105 SER HB3 H 1 4.034 0.020 . 1 . . . . 122 SER HB3 . 17327 1 841 . 1 1 105 105 SER C C 13 176.671 0.400 . 1 . . . . 122 SER C . 17327 1 842 . 1 1 105 105 SER CA C 13 60.822 0.400 . 1 . . . . 122 SER CA . 17327 1 843 . 1 1 105 105 SER CB C 13 62.487 0.400 . 1 . . . . 122 SER CB . 17327 1 844 . 1 1 105 105 SER N N 15 115.168 0.400 . 1 . . . . 122 SER N . 17327 1 845 . 1 1 106 106 LEU H H 1 7.690 0.020 . 1 . . . . 123 LEU H . 17327 1 846 . 1 1 106 106 LEU HA H 1 4.025 0.020 . 1 . . . . 123 LEU HA . 17327 1 847 . 1 1 106 106 LEU HG H 1 2.025 0.020 . 1 . . . . 123 LEU HG . 17327 1 848 . 1 1 106 106 LEU HD11 H 1 0.728 0.020 . 2 . . . . 123 LEU HD11 . 17327 1 849 . 1 1 106 106 LEU HD12 H 1 0.728 0.020 . 2 . . . . 123 LEU HD12 . 17327 1 850 . 1 1 106 106 LEU HD13 H 1 0.728 0.020 . 2 . . . . 123 LEU HD13 . 17327 1 851 . 1 1 106 106 LEU HD21 H 1 0.617 0.020 . 2 . . . . 123 LEU HD21 . 17327 1 852 . 1 1 106 106 LEU HD22 H 1 0.617 0.020 . 2 . . . . 123 LEU HD22 . 17327 1 853 . 1 1 106 106 LEU HD23 H 1 0.617 0.020 . 2 . . . . 123 LEU HD23 . 17327 1 854 . 1 1 106 106 LEU C C 13 177.623 0.400 . 1 . . . . 123 LEU C . 17327 1 855 . 1 1 106 106 LEU CA C 13 58.209 0.400 . 1 . . . . 123 LEU CA . 17327 1 856 . 1 1 106 106 LEU CB C 13 42.130 0.400 . 1 . . . . 123 LEU CB . 17327 1 857 . 1 1 106 106 LEU CG C 13 26.867 0.400 . 1 . . . . 123 LEU CG . 17327 1 858 . 1 1 106 106 LEU CD1 C 13 25.913 0.400 . 1 . . . . 123 LEU CD1 . 17327 1 859 . 1 1 106 106 LEU CD2 C 13 23.473 0.400 . 1 . . . . 123 LEU CD2 . 17327 1 860 . 1 1 106 106 LEU N N 15 121.196 0.400 . 1 . . . . 123 LEU N . 17327 1 861 . 1 1 107 107 PHE H H 1 7.580 0.020 . 1 . . . . 124 PHE H . 17327 1 862 . 1 1 107 107 PHE HA H 1 3.961 0.020 . 1 . . . . 124 PHE HA . 17327 1 863 . 1 1 107 107 PHE C C 13 176.728 0.400 . 1 . . . . 124 PHE C . 17327 1 864 . 1 1 107 107 PHE CA C 13 62.252 0.400 . 1 . . . . 124 PHE CA . 17327 1 865 . 1 1 107 107 PHE CB C 13 37.997 0.400 . 1 . . . . 124 PHE CB . 17327 1 866 . 1 1 107 107 PHE N N 15 116.007 0.400 . 1 . . . . 124 PHE N . 17327 1 867 . 1 1 108 108 LYS H H 1 7.916 0.020 . 1 . . . . 125 LYS H . 17327 1 868 . 1 1 108 108 LYS CA C 13 60.850 0.400 . 1 . . . . 125 LYS CA . 17327 1 869 . 1 1 108 108 LYS N N 15 118.762 0.400 . 1 . . . . 125 LYS N . 17327 1 870 . 1 1 109 109 LYS HA H 1 4.064 0.020 . 1 . . . . 126 LYS HA . 17327 1 871 . 1 1 109 109 LYS C C 13 179.211 0.400 . 1 . . . . 126 LYS C . 17327 1 872 . 1 1 109 109 LYS CA C 13 60.754 0.400 . 1 . . . . 126 LYS CA . 17327 1 873 . 1 1 109 109 LYS CB C 13 32.750 0.400 . 1 . . . . 126 LYS CB . 17327 1 874 . 1 1 110 110 LEU H H 1 8.081 0.020 . 1 . . . . 127 LEU H . 17327 1 875 . 1 1 110 110 LEU HA H 1 4.209 0.020 . 1 . . . . 127 LEU HA . 17327 1 876 . 1 1 110 110 LEU HB2 H 1 1.389 0.020 . 1 . . . . 127 LEU HB2 . 17327 1 877 . 1 1 110 110 LEU HB3 H 1 1.389 0.020 . 1 . . . . 127 LEU HB3 . 17327 1 878 . 1 1 110 110 LEU HD11 H 1 0.706 0.020 . 1 . . . . 127 LEU HD11 . 17327 1 879 . 1 1 110 110 LEU HD12 H 1 0.706 0.020 . 1 . . . . 127 LEU HD12 . 17327 1 880 . 1 1 110 110 LEU HD13 H 1 0.706 0.020 . 1 . . . . 127 LEU HD13 . 17327 1 881 . 1 1 110 110 LEU C C 13 179.186 0.400 . 1 . . . . 127 LEU C . 17327 1 882 . 1 1 110 110 LEU CA C 13 57.809 0.400 . 1 . . . . 127 LEU CA . 17327 1 883 . 1 1 110 110 LEU CB C 13 42.298 0.400 . 1 . . . . 127 LEU CB . 17327 1 884 . 1 1 110 110 LEU CD1 C 13 25.548 0.400 . 1 . . . . 127 LEU CD1 . 17327 1 885 . 1 1 110 110 LEU N N 15 116.458 0.400 . 1 . . . . 127 LEU N . 17327 1 886 . 1 1 111 111 LEU H H 1 8.375 0.020 . 1 . . . . 128 LEU H . 17327 1 887 . 1 1 111 111 LEU HA H 1 4.072 0.020 . 1 . . . . 128 LEU HA . 17327 1 888 . 1 1 111 111 LEU C C 13 178.855 0.400 . 1 . . . . 128 LEU C . 17327 1 889 . 1 1 111 111 LEU CA C 13 58.367 0.400 . 1 . . . . 128 LEU CA . 17327 1 890 . 1 1 111 111 LEU CB C 13 42.153 0.400 . 1 . . . . 128 LEU CB . 17327 1 891 . 1 1 111 111 LEU N N 15 120.131 0.400 . 1 . . . . 128 LEU N . 17327 1 892 . 1 1 112 112 VAL H H 1 8.381 0.020 . 1 . . . . 129 VAL H . 17327 1 893 . 1 1 112 112 VAL HA H 1 3.596 0.020 . 1 . . . . 129 VAL HA . 17327 1 894 . 1 1 112 112 VAL HG11 H 1 0.961 0.020 . 2 . . . . 129 VAL HG11 . 17327 1 895 . 1 1 112 112 VAL HG12 H 1 0.961 0.020 . 2 . . . . 129 VAL HG12 . 17327 1 896 . 1 1 112 112 VAL HG13 H 1 0.961 0.020 . 2 . . . . 129 VAL HG13 . 17327 1 897 . 1 1 112 112 VAL HG21 H 1 1.124 0.020 . 2 . . . . 129 VAL HG21 . 17327 1 898 . 1 1 112 112 VAL HG22 H 1 1.124 0.020 . 2 . . . . 129 VAL HG22 . 17327 1 899 . 1 1 112 112 VAL HG23 H 1 1.124 0.020 . 2 . . . . 129 VAL HG23 . 17327 1 900 . 1 1 112 112 VAL C C 13 177.959 0.400 . 1 . . . . 129 VAL C . 17327 1 901 . 1 1 112 112 VAL CA C 13 67.826 0.400 . 1 . . . . 129 VAL CA . 17327 1 902 . 1 1 112 112 VAL CB C 13 31.730 0.400 . 1 . . . . 129 VAL CB . 17327 1 903 . 1 1 112 112 VAL CG1 C 13 21.912 0.400 . 1 . . . . 129 VAL CG1 . 17327 1 904 . 1 1 112 112 VAL CG2 C 13 23.441 0.400 . 1 . . . . 129 VAL CG2 . 17327 1 905 . 1 1 112 112 VAL N N 15 118.064 0.400 . 1 . . . . 129 VAL N . 17327 1 906 . 1 1 113 113 GLY H H 1 8.700 0.020 . 1 . . . . 130 GLY H . 17327 1 907 . 1 1 113 113 GLY C C 13 175.146 0.400 . 1 . . . . 130 GLY C . 17327 1 908 . 1 1 113 113 GLY CA C 13 48.150 0.400 . 1 . . . . 130 GLY CA . 17327 1 909 . 1 1 113 113 GLY N N 15 105.892 0.400 . 1 . . . . 130 GLY N . 17327 1 910 . 1 1 114 114 SER H H 1 8.401 0.020 . 1 . . . . 131 SER H . 17327 1 911 . 1 1 114 114 SER HA H 1 4.255 0.020 . 1 . . . . 131 SER HA . 17327 1 912 . 1 1 114 114 SER C C 13 175.560 0.400 . 1 . . . . 131 SER C . 17327 1 913 . 1 1 114 114 SER CA C 13 63.134 0.400 . 1 . . . . 131 SER CA . 17327 1 914 . 1 1 114 114 SER N N 15 117.535 0.400 . 1 . . . . 131 SER N . 17327 1 915 . 1 1 115 115 LEU H H 1 7.862 0.020 . 1 . . . . 132 LEU H . 17327 1 916 . 1 1 115 115 LEU HA H 1 4.143 0.020 . 1 . . . . 132 LEU HA . 17327 1 917 . 1 1 115 115 LEU HD11 H 1 0.825 0.020 . 2 . . . . 132 LEU HD11 . 17327 1 918 . 1 1 115 115 LEU HD12 H 1 0.825 0.020 . 2 . . . . 132 LEU HD12 . 17327 1 919 . 1 1 115 115 LEU HD13 H 1 0.825 0.020 . 2 . . . . 132 LEU HD13 . 17327 1 920 . 1 1 115 115 LEU HD21 H 1 0.835 0.020 . 2 . . . . 132 LEU HD21 . 17327 1 921 . 1 1 115 115 LEU HD22 H 1 0.835 0.020 . 2 . . . . 132 LEU HD22 . 17327 1 922 . 1 1 115 115 LEU HD23 H 1 0.835 0.020 . 2 . . . . 132 LEU HD23 . 17327 1 923 . 1 1 115 115 LEU C C 13 178.476 0.400 . 1 . . . . 132 LEU C . 17327 1 924 . 1 1 115 115 LEU CA C 13 58.200 0.400 . 1 . . . . 132 LEU CA . 17327 1 925 . 1 1 115 115 LEU CB C 13 42.050 0.400 . 1 . . . . 132 LEU CB . 17327 1 926 . 1 1 115 115 LEU CD1 C 13 25.402 0.400 . 1 . . . . 132 LEU CD1 . 17327 1 927 . 1 1 115 115 LEU CD2 C 13 23.400 0.400 . 1 . . . . 132 LEU CD2 . 17327 1 928 . 1 1 115 115 LEU N N 15 122.645 0.400 . 1 . . . . 132 LEU N . 17327 1 929 . 1 1 116 116 VAL H H 1 8.134 0.020 . 1 . . . . 133 VAL H . 17327 1 930 . 1 1 116 116 VAL HA H 1 3.524 0.020 . 1 . . . . 133 VAL HA . 17327 1 931 . 1 1 116 116 VAL HG21 H 1 1.089 0.020 . 1 . . . . 133 VAL HG21 . 17327 1 932 . 1 1 116 116 VAL HG22 H 1 1.089 0.020 . 1 . . . . 133 VAL HG22 . 17327 1 933 . 1 1 116 116 VAL HG23 H 1 1.089 0.020 . 1 . . . . 133 VAL HG23 . 17327 1 934 . 1 1 116 116 VAL C C 13 176.887 0.400 . 1 . . . . 133 VAL C . 17327 1 935 . 1 1 116 116 VAL CA C 13 67.953 0.400 . 1 . . . . 133 VAL CA . 17327 1 936 . 1 1 116 116 VAL CG2 C 13 23.448 0.400 . 1 . . . . 133 VAL CG2 . 17327 1 937 . 1 1 116 116 VAL N N 15 118.554 0.400 . 1 . . . . 133 VAL N . 17327 1 938 . 1 1 117 117 MET H H 1 8.037 0.020 . 1 . . . . 134 MET H . 17327 1 939 . 1 1 117 117 MET HA H 1 3.990 0.020 . 1 . . . . 134 MET HA . 17327 1 940 . 1 1 117 117 MET HE1 H 1 1.576 0.020 . 1 . . . . 134 MET HE1 . 17327 1 941 . 1 1 117 117 MET HE2 H 1 1.576 0.020 . 1 . . . . 134 MET HE2 . 17327 1 942 . 1 1 117 117 MET HE3 H 1 1.576 0.020 . 1 . . . . 134 MET HE3 . 17327 1 943 . 1 1 117 117 MET C C 13 176.718 0.400 . 1 . . . . 134 MET C . 17327 1 944 . 1 1 117 117 MET CA C 13 59.908 0.400 . 1 . . . . 134 MET CA . 17327 1 945 . 1 1 117 117 MET CB C 13 35.442 0.400 . 1 . . . . 134 MET CB . 17327 1 946 . 1 1 117 117 MET CE C 13 15.970 0.400 . 1 . . . . 134 MET CE . 17327 1 947 . 1 1 117 117 MET N N 15 118.647 0.400 . 1 . . . . 134 MET N . 17327 1 948 . 1 1 118 118 LEU H H 1 7.871 0.020 . 1 . . . . 135 LEU H . 17327 1 949 . 1 1 118 118 LEU HA H 1 4.288 0.020 . 1 . . . . 135 LEU HA . 17327 1 950 . 1 1 118 118 LEU HD11 H 1 0.715 0.020 . 2 . . . . 135 LEU HD11 . 17327 1 951 . 1 1 118 118 LEU HD12 H 1 0.715 0.020 . 2 . . . . 135 LEU HD12 . 17327 1 952 . 1 1 118 118 LEU HD13 H 1 0.715 0.020 . 2 . . . . 135 LEU HD13 . 17327 1 953 . 1 1 118 118 LEU HD21 H 1 0.701 0.020 . 2 . . . . 135 LEU HD21 . 17327 1 954 . 1 1 118 118 LEU HD22 H 1 0.701 0.020 . 2 . . . . 135 LEU HD22 . 17327 1 955 . 1 1 118 118 LEU HD23 H 1 0.701 0.020 . 2 . . . . 135 LEU HD23 . 17327 1 956 . 1 1 118 118 LEU C C 13 178.875 0.400 . 1 . . . . 135 LEU C . 17327 1 957 . 1 1 118 118 LEU CA C 13 57.858 0.400 . 1 . . . . 135 LEU CA . 17327 1 958 . 1 1 118 118 LEU CB C 13 43.416 0.400 . 1 . . . . 135 LEU CB . 17327 1 959 . 1 1 118 118 LEU CD1 C 13 23.254 0.400 . 1 . . . . 135 LEU CD1 . 17327 1 960 . 1 1 118 118 LEU CD2 C 13 25.691 0.400 . 1 . . . . 135 LEU CD2 . 17327 1 961 . 1 1 118 118 LEU N N 15 114.284 0.400 . 1 . . . . 135 LEU N . 17327 1 962 . 1 1 119 119 VAL H H 1 8.598 0.020 . 1 . . . . 136 VAL H . 17327 1 963 . 1 1 119 119 VAL HA H 1 3.633 0.020 . 1 . . . . 136 VAL HA . 17327 1 964 . 1 1 119 119 VAL HB H 1 2.149 0.020 . 1 . . . . 136 VAL HB . 17327 1 965 . 1 1 119 119 VAL HG11 H 1 0.703 0.020 . 2 . . . . 136 VAL HG11 . 17327 1 966 . 1 1 119 119 VAL HG12 H 1 0.703 0.020 . 2 . . . . 136 VAL HG12 . 17327 1 967 . 1 1 119 119 VAL HG13 H 1 0.703 0.020 . 2 . . . . 136 VAL HG13 . 17327 1 968 . 1 1 119 119 VAL HG21 H 1 0.992 0.020 . 2 . . . . 136 VAL HG21 . 17327 1 969 . 1 1 119 119 VAL HG22 H 1 0.992 0.020 . 2 . . . . 136 VAL HG22 . 17327 1 970 . 1 1 119 119 VAL HG23 H 1 0.992 0.020 . 2 . . . . 136 VAL HG23 . 17327 1 971 . 1 1 119 119 VAL C C 13 177.791 0.400 . 1 . . . . 136 VAL C . 17327 1 972 . 1 1 119 119 VAL CA C 13 67.233 0.400 . 1 . . . . 136 VAL CA . 17327 1 973 . 1 1 119 119 VAL CB C 13 31.419 0.400 . 1 . . . . 136 VAL CB . 17327 1 974 . 1 1 119 119 VAL CG1 C 13 21.354 0.400 . 1 . . . . 136 VAL CG1 . 17327 1 975 . 1 1 119 119 VAL CG2 C 13 23.386 0.400 . 1 . . . . 136 VAL CG2 . 17327 1 976 . 1 1 119 119 VAL N N 15 117.549 0.400 . 1 . . . . 136 VAL N . 17327 1 977 . 1 1 120 120 PHE H H 1 8.111 0.020 . 1 . . . . 137 PHE H . 17327 1 978 . 1 1 120 120 PHE HA H 1 4.101 0.020 . 1 . . . . 137 PHE HA . 17327 1 979 . 1 1 120 120 PHE HB2 H 1 2.853 0.020 . 1 . . . . 137 PHE HB2 . 17327 1 980 . 1 1 120 120 PHE HB3 H 1 2.853 0.020 . 1 . . . . 137 PHE HB3 . 17327 1 981 . 1 1 120 120 PHE C C 13 178.012 0.400 . 1 . . . . 137 PHE C . 17327 1 982 . 1 1 120 120 PHE CA C 13 64.179 0.400 . 1 . . . . 137 PHE CA . 17327 1 983 . 1 1 120 120 PHE CB C 13 37.362 0.400 . 1 . . . . 137 PHE CB . 17327 1 984 . 1 1 120 120 PHE N N 15 116.958 0.400 . 1 . . . . 137 PHE N . 17327 1 985 . 1 1 121 121 GLY H H 1 8.238 0.020 . 1 . . . . 138 GLY H . 17327 1 986 . 1 1 121 121 GLY C C 13 175.371 0.400 . 1 . . . . 138 GLY C . 17327 1 987 . 1 1 121 121 GLY CA C 13 49.240 0.400 . 1 . . . . 138 GLY CA . 17327 1 988 . 1 1 121 121 GLY N N 15 106.199 0.400 . 1 . . . . 138 GLY N . 17327 1 989 . 1 1 122 122 TYR H H 1 8.418 0.020 . 1 . . . . 139 TYR H . 17327 1 990 . 1 1 122 122 TYR HA H 1 3.930 0.020 . 1 . . . . 139 TYR HA . 17327 1 991 . 1 1 122 122 TYR HB2 H 1 3.190 0.020 . 1 . . . . 139 TYR HB2 . 17327 1 992 . 1 1 122 122 TYR HB3 H 1 3.190 0.020 . 1 . . . . 139 TYR HB3 . 17327 1 993 . 1 1 122 122 TYR C C 13 176.619 0.400 . 1 . . . . 139 TYR C . 17327 1 994 . 1 1 122 122 TYR CA C 13 62.200 0.400 . 1 . . . . 139 TYR CA . 17327 1 995 . 1 1 122 122 TYR CB C 13 39.556 0.400 . 1 . . . . 139 TYR CB . 17327 1 996 . 1 1 122 122 TYR N N 15 122.007 0.400 . 1 . . . . 139 TYR N . 17327 1 997 . 1 1 123 123 MET H H 1 8.024 0.020 . 1 . . . . 140 MET H . 17327 1 998 . 1 1 123 123 MET HA H 1 3.507 0.020 . 1 . . . . 140 MET HA . 17327 1 999 . 1 1 123 123 MET HE1 H 1 1.404 0.020 . 1 . . . . 140 MET HE1 . 17327 1 1000 . 1 1 123 123 MET HE2 H 1 1.404 0.020 . 1 . . . . 140 MET HE2 . 17327 1 1001 . 1 1 123 123 MET HE3 H 1 1.404 0.020 . 1 . . . . 140 MET HE3 . 17327 1 1002 . 1 1 123 123 MET C C 13 179.245 0.400 . 1 . . . . 140 MET C . 17327 1 1003 . 1 1 123 123 MET CA C 13 60.744 0.400 . 1 . . . . 140 MET CA . 17327 1 1004 . 1 1 123 123 MET CB C 13 34.199 0.400 . 1 . . . . 140 MET CB . 17327 1 1005 . 1 1 123 123 MET CE C 13 17.011 0.400 . 1 . . . . 140 MET CE . 17327 1 1006 . 1 1 123 123 MET N N 15 114.587 0.400 . 1 . . . . 140 MET N . 17327 1 1007 . 1 1 124 124 GLY H H 1 8.043 0.020 . 1 . . . . 141 GLY H . 17327 1 1008 . 1 1 124 124 GLY C C 13 176.143 0.400 . 1 . . . . 141 GLY C . 17327 1 1009 . 1 1 124 124 GLY CA C 13 46.514 0.400 . 1 . . . . 141 GLY CA . 17327 1 1010 . 1 1 124 124 GLY N N 15 106.591 0.400 . 1 . . . . 141 GLY N . 17327 1 1011 . 1 1 125 125 GLU H H 1 8.389 0.020 . 1 . . . . 142 GLU H . 17327 1 1012 . 1 1 125 125 GLU HA H 1 3.223 0.020 . 1 . . . . 142 GLU HA . 17327 1 1013 . 1 1 125 125 GLU C C 13 178.649 0.400 . 1 . . . . 142 GLU C . 17327 1 1014 . 1 1 125 125 GLU CA C 13 61.138 0.400 . 1 . . . . 142 GLU CA . 17327 1 1015 . 1 1 125 125 GLU CB C 13 30.070 0.400 . 1 . . . . 142 GLU CB . 17327 1 1016 . 1 1 125 125 GLU N N 15 122.107 0.400 . 1 . . . . 142 GLU N . 17327 1 1017 . 1 1 126 126 ALA H H 1 8.540 0.020 . 1 . . . . 143 ALA H . 17327 1 1018 . 1 1 126 126 ALA HA H 1 4.174 0.020 . 1 . . . . 143 ALA HA . 17327 1 1019 . 1 1 126 126 ALA HB1 H 1 0.727 0.020 . 1 . . . . 143 ALA HB1 . 17327 1 1020 . 1 1 126 126 ALA HB2 H 1 0.727 0.020 . 1 . . . . 143 ALA HB2 . 17327 1 1021 . 1 1 126 126 ALA HB3 H 1 0.727 0.020 . 1 . . . . 143 ALA HB3 . 17327 1 1022 . 1 1 126 126 ALA C C 13 178.234 0.400 . 1 . . . . 143 ALA C . 17327 1 1023 . 1 1 126 126 ALA CA C 13 51.694 0.400 . 1 . . . . 143 ALA CA . 17327 1 1024 . 1 1 126 126 ALA CB C 13 18.695 0.400 . 1 . . . . 143 ALA CB . 17327 1 1025 . 1 1 126 126 ALA N N 15 117.992 0.400 . 1 . . . . 143 ALA N . 17327 1 1026 . 1 1 127 127 GLY H H 1 7.246 0.020 . 1 . . . . 144 GLY H . 17327 1 1027 . 1 1 127 127 GLY C C 13 174.738 0.400 . 1 . . . . 144 GLY C . 17327 1 1028 . 1 1 127 127 GLY CA C 13 45.924 0.400 . 1 . . . . 144 GLY CA . 17327 1 1029 . 1 1 127 127 GLY N N 15 105.497 0.400 . 1 . . . . 144 GLY N . 17327 1 1030 . 1 1 128 128 ILE H H 1 8.012 0.020 . 1 . . . . 145 ILE H . 17327 1 1031 . 1 1 128 128 ILE HA H 1 3.740 0.020 . 1 . . . . 145 ILE HA . 17327 1 1032 . 1 1 128 128 ILE HB H 1 1.585 0.020 . 1 . . . . 145 ILE HB . 17327 1 1033 . 1 1 128 128 ILE HG21 H 1 0.925 0.020 . 1 . . . . 145 ILE HG21 . 17327 1 1034 . 1 1 128 128 ILE HG22 H 1 0.925 0.020 . 1 . . . . 145 ILE HG22 . 17327 1 1035 . 1 1 128 128 ILE HG23 H 1 0.925 0.020 . 1 . . . . 145 ILE HG23 . 17327 1 1036 . 1 1 128 128 ILE HD11 H 1 0.878 0.020 . 1 . . . . 145 ILE HD11 . 17327 1 1037 . 1 1 128 128 ILE HD12 H 1 0.878 0.020 . 1 . . . . 145 ILE HD12 . 17327 1 1038 . 1 1 128 128 ILE HD13 H 1 0.878 0.020 . 1 . . . . 145 ILE HD13 . 17327 1 1039 . 1 1 128 128 ILE C C 13 175.152 0.400 . 1 . . . . 145 ILE C . 17327 1 1040 . 1 1 128 128 ILE CA C 13 63.312 0.400 . 1 . . . . 145 ILE CA . 17327 1 1041 . 1 1 128 128 ILE CB C 13 39.248 0.400 . 1 . . . . 145 ILE CB . 17327 1 1042 . 1 1 128 128 ILE CG2 C 13 17.733 0.400 . 1 . . . . 145 ILE CG2 . 17327 1 1043 . 1 1 128 128 ILE CD1 C 13 13.919 0.400 . 1 . . . . 145 ILE CD1 . 17327 1 1044 . 1 1 128 128 ILE N N 15 121.104 0.400 . 1 . . . . 145 ILE N . 17327 1 1045 . 1 1 129 129 MET H H 1 7.345 0.020 . 1 . . . . 146 MET H . 17327 1 1046 . 1 1 129 129 MET HA H 1 4.602 0.020 . 1 . . . . 146 MET HA . 17327 1 1047 . 1 1 129 129 MET HB2 H 1 1.851 0.020 . 1 . . . . 146 MET HB2 . 17327 1 1048 . 1 1 129 129 MET HB3 H 1 1.851 0.020 . 1 . . . . 146 MET HB3 . 17327 1 1049 . 1 1 129 129 MET HE1 H 1 2.151 0.020 . 1 . . . . 146 MET HE1 . 17327 1 1050 . 1 1 129 129 MET HE2 H 1 2.151 0.020 . 1 . . . . 146 MET HE2 . 17327 1 1051 . 1 1 129 129 MET HE3 H 1 2.151 0.020 . 1 . . . . 146 MET HE3 . 17327 1 1052 . 1 1 129 129 MET C C 13 173.854 0.400 . 1 . . . . 146 MET C . 17327 1 1053 . 1 1 129 129 MET CA C 13 53.272 0.400 . 1 . . . . 146 MET CA . 17327 1 1054 . 1 1 129 129 MET CB C 13 38.074 0.400 . 1 . . . . 146 MET CB . 17327 1 1055 . 1 1 129 129 MET CE C 13 16.958 0.400 . 1 . . . . 146 MET CE . 17327 1 1056 . 1 1 129 129 MET N N 15 115.427 0.400 . 1 . . . . 146 MET N . 17327 1 1057 . 1 1 130 130 ALA H H 1 8.522 0.020 . 1 . . . . 147 ALA H . 17327 1 1058 . 1 1 130 130 ALA HA H 1 4.265 0.020 . 1 . . . . 147 ALA HA . 17327 1 1059 . 1 1 130 130 ALA HB1 H 1 1.632 0.020 . 1 . . . . 147 ALA HB1 . 17327 1 1060 . 1 1 130 130 ALA HB2 H 1 1.632 0.020 . 1 . . . . 147 ALA HB2 . 17327 1 1061 . 1 1 130 130 ALA HB3 H 1 1.632 0.020 . 1 . . . . 147 ALA HB3 . 17327 1 1062 . 1 1 130 130 ALA C C 13 177.501 0.400 . 1 . . . . 147 ALA C . 17327 1 1063 . 1 1 130 130 ALA CA C 13 53.334 0.400 . 1 . . . . 147 ALA CA . 17327 1 1064 . 1 1 130 130 ALA CB C 13 18.528 0.400 . 1 . . . . 147 ALA CB . 17327 1 1065 . 1 1 130 130 ALA N N 15 124.527 0.400 . 1 . . . . 147 ALA N . 17327 1 1066 . 1 1 131 131 ALA H H 1 8.252 0.020 . 1 . . . . 148 ALA H . 17327 1 1067 . 1 1 131 131 ALA HA H 1 3.994 0.020 . 1 . . . . 148 ALA HA . 17327 1 1068 . 1 1 131 131 ALA HB1 H 1 1.373 0.020 . 1 . . . . 148 ALA HB1 . 17327 1 1069 . 1 1 131 131 ALA HB2 H 1 1.373 0.020 . 1 . . . . 148 ALA HB2 . 17327 1 1070 . 1 1 131 131 ALA HB3 H 1 1.373 0.020 . 1 . . . . 148 ALA HB3 . 17327 1 1071 . 1 1 131 131 ALA C C 13 181.789 0.400 . 1 . . . . 148 ALA C . 17327 1 1072 . 1 1 131 131 ALA CA C 13 56.034 0.400 . 1 . . . . 148 ALA CA . 17327 1 1073 . 1 1 131 131 ALA CB C 13 18.951 0.400 . 1 . . . . 148 ALA CB . 17327 1 1074 . 1 1 131 131 ALA N N 15 123.538 0.400 . 1 . . . . 148 ALA N . 17327 1 1075 . 1 1 132 132 TRP H H 1 9.400 0.020 . 1 . . . . 149 TRP H . 17327 1 1076 . 1 1 132 132 TRP HD1 H 1 7.487 0.020 . 1 . . . . 149 TRP HD1 . 17327 1 1077 . 1 1 132 132 TRP HE3 H 1 7.812 0.020 . 1 . . . . 149 TRP HE3 . 17327 1 1078 . 1 1 132 132 TRP HZ2 H 1 7.660 0.020 . 1 . . . . 149 TRP HZ2 . 17327 1 1079 . 1 1 132 132 TRP HZ3 H 1 7.242 0.020 . 1 . . . . 149 TRP HZ3 . 17327 1 1080 . 1 1 132 132 TRP HH2 H 1 7.364 0.020 . 1 . . . . 149 TRP HH2 . 17327 1 1081 . 1 1 132 132 TRP CA C 13 62.400 0.400 . 1 . . . . 149 TRP CA . 17327 1 1082 . 1 1 132 132 TRP CB C 13 28.070 0.400 . 1 . . . . 149 TRP CB . 17327 1 1083 . 1 1 132 132 TRP CD1 C 13 127.313 0.400 . 1 . . . . 149 TRP CD1 . 17327 1 1084 . 1 1 132 132 TRP CE3 C 13 120.817 0.400 . 1 . . . . 149 TRP CE3 . 17327 1 1085 . 1 1 132 132 TRP CZ2 C 13 115.379 0.400 . 1 . . . . 149 TRP CZ2 . 17327 1 1086 . 1 1 132 132 TRP CZ3 C 13 121.484 0.400 . 1 . . . . 149 TRP CZ3 . 17327 1 1087 . 1 1 132 132 TRP CH2 C 13 124.207 0.400 . 1 . . . . 149 TRP CH2 . 17327 1 1088 . 1 1 132 132 TRP N N 15 118.163 0.400 . 1 . . . . 149 TRP N . 17327 1 1089 . 1 1 132 132 TRP NE1 N 15 129.200 0.400 . 1 . . . . 149 TRP NE1 . 17327 1 1090 . 1 1 133 133 PRO HA H 1 4.243 0.020 . 1 . . . . 150 PRO HA . 17327 1 1091 . 1 1 133 133 PRO HB2 H 1 1.930 0.020 . 1 . . . . 150 PRO HB2 . 17327 1 1092 . 1 1 133 133 PRO HB3 H 1 1.930 0.020 . 1 . . . . 150 PRO HB3 . 17327 1 1093 . 1 1 133 133 PRO C C 13 177.359 0.400 . 1 . . . . 150 PRO C . 17327 1 1094 . 1 1 133 133 PRO CA C 13 66.517 0.400 . 1 . . . . 150 PRO CA . 17327 1 1095 . 1 1 133 133 PRO CB C 13 30.714 0.400 . 1 . . . . 150 PRO CB . 17327 1 1096 . 1 1 134 134 ALA H H 1 7.407 0.020 . 1 . . . . 151 ALA H . 17327 1 1097 . 1 1 134 134 ALA HA H 1 4.144 0.020 . 1 . . . . 151 ALA HA . 17327 1 1098 . 1 1 134 134 ALA HB1 H 1 1.674 0.020 . 1 . . . . 151 ALA HB1 . 17327 1 1099 . 1 1 134 134 ALA HB2 H 1 1.674 0.020 . 1 . . . . 151 ALA HB2 . 17327 1 1100 . 1 1 134 134 ALA HB3 H 1 1.674 0.020 . 1 . . . . 151 ALA HB3 . 17327 1 1101 . 1 1 134 134 ALA C C 13 178.386 0.400 . 1 . . . . 151 ALA C . 17327 1 1102 . 1 1 134 134 ALA CA C 13 56.539 0.400 . 1 . . . . 151 ALA CA . 17327 1 1103 . 1 1 134 134 ALA CB C 13 18.519 0.400 . 1 . . . . 151 ALA CB . 17327 1 1104 . 1 1 134 134 ALA N N 15 118.099 0.400 . 1 . . . . 151 ALA N . 17327 1 1105 . 1 1 135 135 PHE H H 1 7.644 0.020 . 1 . . . . 152 PHE H . 17327 1 1106 . 1 1 135 135 PHE HA H 1 3.878 0.020 . 1 . . . . 152 PHE HA . 17327 1 1107 . 1 1 135 135 PHE C C 13 177.548 0.400 . 1 . . . . 152 PHE C . 17327 1 1108 . 1 1 135 135 PHE CA C 13 60.831 0.400 . 1 . . . . 152 PHE CA . 17327 1 1109 . 1 1 135 135 PHE CB C 13 40.202 0.400 . 1 . . . . 152 PHE CB . 17327 1 1110 . 1 1 135 135 PHE N N 15 116.753 0.400 . 1 . . . . 152 PHE N . 17327 1 1111 . 1 1 136 136 ILE H H 1 8.457 0.020 . 1 . . . . 153 ILE H . 17327 1 1112 . 1 1 136 136 ILE HA H 1 3.435 0.020 . 1 . . . . 153 ILE HA . 17327 1 1113 . 1 1 136 136 ILE HB H 1 2.026 0.020 . 1 . . . . 153 ILE HB . 17327 1 1114 . 1 1 136 136 ILE HG21 H 1 0.816 0.020 . 1 . . . . 153 ILE HG21 . 17327 1 1115 . 1 1 136 136 ILE HG22 H 1 0.816 0.020 . 1 . . . . 153 ILE HG22 . 17327 1 1116 . 1 1 136 136 ILE HG23 H 1 0.816 0.020 . 1 . . . . 153 ILE HG23 . 17327 1 1117 . 1 1 136 136 ILE HD11 H 1 0.848 0.020 . 1 . . . . 153 ILE HD11 . 17327 1 1118 . 1 1 136 136 ILE HD12 H 1 0.848 0.020 . 1 . . . . 153 ILE HD12 . 17327 1 1119 . 1 1 136 136 ILE HD13 H 1 0.848 0.020 . 1 . . . . 153 ILE HD13 . 17327 1 1120 . 1 1 136 136 ILE C C 13 177.312 0.400 . 1 . . . . 153 ILE C . 17327 1 1121 . 1 1 136 136 ILE CA C 13 65.004 0.400 . 1 . . . . 153 ILE CA . 17327 1 1122 . 1 1 136 136 ILE CB C 13 37.221 0.400 . 1 . . . . 153 ILE CB . 17327 1 1123 . 1 1 136 136 ILE CG2 C 13 17.215 0.400 . 1 . . . . 153 ILE CG2 . 17327 1 1124 . 1 1 136 136 ILE CD1 C 13 12.381 0.400 . 1 . . . . 153 ILE CD1 . 17327 1 1125 . 1 1 136 136 ILE N N 15 118.495 0.400 . 1 . . . . 153 ILE N . 17327 1 1126 . 1 1 137 137 ILE H H 1 7.944 0.020 . 1 . . . . 154 ILE H . 17327 1 1127 . 1 1 137 137 ILE HA H 1 3.348 0.020 . 1 . . . . 154 ILE HA . 17327 1 1128 . 1 1 137 137 ILE HB H 1 1.324 0.020 . 1 . . . . 154 ILE HB . 17327 1 1129 . 1 1 137 137 ILE HG21 H 1 -0.279 0.020 . 1 . . . . 154 ILE HG21 . 17327 1 1130 . 1 1 137 137 ILE HG22 H 1 -0.279 0.020 . 1 . . . . 154 ILE HG22 . 17327 1 1131 . 1 1 137 137 ILE HG23 H 1 -0.279 0.020 . 1 . . . . 154 ILE HG23 . 17327 1 1132 . 1 1 137 137 ILE HD11 H 1 0.503 0.020 . 1 . . . . 154 ILE HD11 . 17327 1 1133 . 1 1 137 137 ILE HD12 H 1 0.503 0.020 . 1 . . . . 154 ILE HD12 . 17327 1 1134 . 1 1 137 137 ILE HD13 H 1 0.503 0.020 . 1 . . . . 154 ILE HD13 . 17327 1 1135 . 1 1 137 137 ILE C C 13 177.719 0.400 . 1 . . . . 154 ILE C . 17327 1 1136 . 1 1 137 137 ILE CA C 13 65.414 0.400 . 1 . . . . 154 ILE CA . 17327 1 1137 . 1 1 137 137 ILE CB C 13 36.768 0.400 . 1 . . . . 154 ILE CB . 17327 1 1138 . 1 1 137 137 ILE CG2 C 13 16.373 0.400 . 1 . . . . 154 ILE CG2 . 17327 1 1139 . 1 1 137 137 ILE CD1 C 13 12.370 0.400 . 1 . . . . 154 ILE CD1 . 17327 1 1140 . 1 1 137 137 ILE N N 15 118.102 0.400 . 1 . . . . 154 ILE N . 17327 1 1141 . 1 1 138 138 GLY H H 1 8.409 0.020 . 1 . . . . 155 GLY H . 17327 1 1142 . 1 1 138 138 GLY C C 13 175.880 0.400 . 1 . . . . 155 GLY C . 17327 1 1143 . 1 1 138 138 GLY CA C 13 48.214 0.400 . 1 . . . . 155 GLY CA . 17327 1 1144 . 1 1 138 138 GLY N N 15 105.830 0.400 . 1 . . . . 155 GLY N . 17327 1 1145 . 1 1 139 139 CYS H H 1 8.758 0.020 . 1 . . . . 156 CYS H . 17327 1 1146 . 1 1 139 139 CYS HA H 1 4.444 0.020 . 1 . . . . 156 CYS HA . 17327 1 1147 . 1 1 139 139 CYS HB2 H 1 2.439 0.020 . 1 . . . . 156 CYS HB2 . 17327 1 1148 . 1 1 139 139 CYS HB3 H 1 2.439 0.020 . 1 . . . . 156 CYS HB3 . 17327 1 1149 . 1 1 139 139 CYS C C 13 177.154 0.400 . 1 . . . . 156 CYS C . 17327 1 1150 . 1 1 139 139 CYS CA C 13 64.969 0.400 . 1 . . . . 156 CYS CA . 17327 1 1151 . 1 1 139 139 CYS CB C 13 27.243 0.400 . 1 . . . . 156 CYS CB . 17327 1 1152 . 1 1 139 139 CYS N N 15 118.822 0.400 . 1 . . . . 156 CYS N . 17327 1 1153 . 1 1 140 140 LEU H H 1 8.337 0.020 . 1 . . . . 157 LEU H . 17327 1 1154 . 1 1 140 140 LEU HA H 1 3.974 0.020 . 1 . . . . 157 LEU HA . 17327 1 1155 . 1 1 140 140 LEU HB2 H 1 1.754 0.020 . 1 . . . . 157 LEU HB2 . 17327 1 1156 . 1 1 140 140 LEU HB3 H 1 1.754 0.020 . 1 . . . . 157 LEU HB3 . 17327 1 1157 . 1 1 140 140 LEU HD11 H 1 0.708 0.020 . 2 . . . . 157 LEU HD11 . 17327 1 1158 . 1 1 140 140 LEU HD12 H 1 0.708 0.020 . 2 . . . . 157 LEU HD12 . 17327 1 1159 . 1 1 140 140 LEU HD13 H 1 0.708 0.020 . 2 . . . . 157 LEU HD13 . 17327 1 1160 . 1 1 140 140 LEU HD21 H 1 0.703 0.020 . 2 . . . . 157 LEU HD21 . 17327 1 1161 . 1 1 140 140 LEU HD22 H 1 0.703 0.020 . 2 . . . . 157 LEU HD22 . 17327 1 1162 . 1 1 140 140 LEU HD23 H 1 0.703 0.020 . 2 . . . . 157 LEU HD23 . 17327 1 1163 . 1 1 140 140 LEU C C 13 177.946 0.400 . 1 . . . . 157 LEU C . 17327 1 1164 . 1 1 140 140 LEU CA C 13 58.242 0.400 . 1 . . . . 157 LEU CA . 17327 1 1165 . 1 1 140 140 LEU CB C 13 41.379 0.400 . 1 . . . . 157 LEU CB . 17327 1 1166 . 1 1 140 140 LEU CD1 C 13 25.245 0.400 . 1 . . . . 157 LEU CD1 . 17327 1 1167 . 1 1 140 140 LEU CD2 C 13 23.141 0.400 . 1 . . . . 157 LEU CD2 . 17327 1 1168 . 1 1 140 140 LEU N N 15 120.913 0.400 . 1 . . . . 157 LEU N . 17327 1 1169 . 1 1 141 141 ALA H H 1 7.856 0.020 . 1 . . . . 158 ALA H . 17327 1 1170 . 1 1 141 141 ALA HA H 1 4.065 0.020 . 1 . . . . 158 ALA HA . 17327 1 1171 . 1 1 141 141 ALA HB1 H 1 1.676 0.020 . 1 . . . . 158 ALA HB1 . 17327 1 1172 . 1 1 141 141 ALA HB2 H 1 1.676 0.020 . 1 . . . . 158 ALA HB2 . 17327 1 1173 . 1 1 141 141 ALA HB3 H 1 1.676 0.020 . 1 . . . . 158 ALA HB3 . 17327 1 1174 . 1 1 141 141 ALA C C 13 178.303 0.400 . 1 . . . . 158 ALA C . 17327 1 1175 . 1 1 141 141 ALA CA C 13 55.781 0.400 . 1 . . . . 158 ALA CA . 17327 1 1176 . 1 1 141 141 ALA CB C 13 17.863 0.400 . 1 . . . . 158 ALA CB . 17327 1 1177 . 1 1 141 141 ALA N N 15 121.229 0.400 . 1 . . . . 158 ALA N . 17327 1 1178 . 1 1 142 142 TRP H H 1 7.692 0.020 . 1 . . . . 159 TRP H . 17327 1 1179 . 1 1 142 142 TRP HA H 1 4.758 0.020 . 1 . . . . 159 TRP HA . 17327 1 1180 . 1 1 142 142 TRP HB2 H 1 3.361 0.020 . 1 . . . . 159 TRP HB2 . 17327 1 1181 . 1 1 142 142 TRP HB3 H 1 3.361 0.020 . 1 . . . . 159 TRP HB3 . 17327 1 1182 . 1 1 142 142 TRP HD1 H 1 7.222 0.020 . 1 . . . . 159 TRP HD1 . 17327 1 1183 . 1 1 142 142 TRP HE3 H 1 7.470 0.020 . 1 . . . . 159 TRP HE3 . 17327 1 1184 . 1 1 142 142 TRP HZ2 H 1 8.135 0.020 . 1 . . . . 159 TRP HZ2 . 17327 1 1185 . 1 1 142 142 TRP HZ3 H 1 6.790 0.020 . 1 . . . . 159 TRP HZ3 . 17327 1 1186 . 1 1 142 142 TRP HH2 H 1 6.951 0.020 . 1 . . . . 159 TRP HH2 . 17327 1 1187 . 1 1 142 142 TRP C C 13 177.691 0.400 . 1 . . . . 159 TRP C . 17327 1 1188 . 1 1 142 142 TRP CA C 13 59.642 0.400 . 1 . . . . 159 TRP CA . 17327 1 1189 . 1 1 142 142 TRP CB C 13 29.323 0.400 . 1 . . . . 159 TRP CB . 17327 1 1190 . 1 1 142 142 TRP CD1 C 13 124.225 0.400 . 1 . . . . 159 TRP CD1 . 17327 1 1191 . 1 1 142 142 TRP CE3 C 13 119.291 0.400 . 1 . . . . 159 TRP CE3 . 17327 1 1192 . 1 1 142 142 TRP CZ2 C 13 114.923 0.400 . 1 . . . . 159 TRP CZ2 . 17327 1 1193 . 1 1 142 142 TRP CZ3 C 13 120.511 0.400 . 1 . . . . 159 TRP CZ3 . 17327 1 1194 . 1 1 142 142 TRP CH2 C 13 123.020 0.400 . 1 . . . . 159 TRP CH2 . 17327 1 1195 . 1 1 142 142 TRP N N 15 119.274 0.400 . 1 . . . . 159 TRP N . 17327 1 1196 . 1 1 142 142 TRP NE1 N 15 127.400 0.400 . 1 . . . . 159 TRP NE1 . 17327 1 1197 . 1 1 143 143 VAL H H 1 8.823 0.020 . 1 . . . . 160 VAL H . 17327 1 1198 . 1 1 143 143 VAL HA H 1 3.140 0.020 . 1 . . . . 160 VAL HA . 17327 1 1199 . 1 1 143 143 VAL HG11 H 1 0.720 0.020 . 2 . . . . 160 VAL HG11 . 17327 1 1200 . 1 1 143 143 VAL HG12 H 1 0.720 0.020 . 2 . . . . 160 VAL HG12 . 17327 1 1201 . 1 1 143 143 VAL HG13 H 1 0.720 0.020 . 2 . . . . 160 VAL HG13 . 17327 1 1202 . 1 1 143 143 VAL HG21 H 1 0.815 0.020 . 2 . . . . 160 VAL HG21 . 17327 1 1203 . 1 1 143 143 VAL HG22 H 1 0.815 0.020 . 2 . . . . 160 VAL HG22 . 17327 1 1204 . 1 1 143 143 VAL HG23 H 1 0.815 0.020 . 2 . . . . 160 VAL HG23 . 17327 1 1205 . 1 1 143 143 VAL C C 13 177.499 0.400 . 1 . . . . 160 VAL C . 17327 1 1206 . 1 1 143 143 VAL CA C 13 66.415 0.400 . 1 . . . . 160 VAL CA . 17327 1 1207 . 1 1 143 143 VAL CB C 13 30.849 0.400 . 1 . . . . 160 VAL CB . 17327 1 1208 . 1 1 143 143 VAL CG1 C 13 21.741 0.400 . 1 . . . . 160 VAL CG1 . 17327 1 1209 . 1 1 143 143 VAL CG2 C 13 23.132 0.400 . 1 . . . . 160 VAL CG2 . 17327 1 1210 . 1 1 143 143 VAL N N 15 117.385 0.400 . 1 . . . . 160 VAL N . 17327 1 1211 . 1 1 144 144 TYR H H 1 8.557 0.020 . 1 . . . . 161 TYR H . 17327 1 1212 . 1 1 144 144 TYR HA H 1 4.113 0.020 . 1 . . . . 161 TYR HA . 17327 1 1213 . 1 1 144 144 TYR C C 13 176.452 0.400 . 1 . . . . 161 TYR C . 17327 1 1214 . 1 1 144 144 TYR CA C 13 62.206 0.400 . 1 . . . . 161 TYR CA . 17327 1 1215 . 1 1 144 144 TYR CB C 13 37.766 0.400 . 1 . . . . 161 TYR CB . 17327 1 1216 . 1 1 144 144 TYR N N 15 121.375 0.400 . 1 . . . . 161 TYR N . 17327 1 1217 . 1 1 145 145 MET H H 1 7.758 0.020 . 1 . . . . 162 MET H . 17327 1 1218 . 1 1 145 145 MET HA H 1 4.007 0.020 . 1 . . . . 162 MET HA . 17327 1 1219 . 1 1 145 145 MET HE1 H 1 1.721 0.020 . 1 . . . . 162 MET HE1 . 17327 1 1220 . 1 1 145 145 MET HE2 H 1 1.721 0.020 . 1 . . . . 162 MET HE2 . 17327 1 1221 . 1 1 145 145 MET HE3 H 1 1.721 0.020 . 1 . . . . 162 MET HE3 . 17327 1 1222 . 1 1 145 145 MET C C 13 177.320 0.400 . 1 . . . . 162 MET C . 17327 1 1223 . 1 1 145 145 MET CA C 13 58.591 0.400 . 1 . . . . 162 MET CA . 17327 1 1224 . 1 1 145 145 MET CE C 13 16.805 0.400 . 1 . . . . 162 MET CE . 17327 1 1225 . 1 1 145 145 MET N N 15 118.297 0.400 . 1 . . . . 162 MET N . 17327 1 1226 . 1 1 146 146 ILE H H 1 7.710 0.020 . 1 . . . . 163 ILE H . 17327 1 1227 . 1 1 146 146 ILE HA H 1 3.155 0.020 . 1 . . . . 163 ILE HA . 17327 1 1228 . 1 1 146 146 ILE HB H 1 1.621 0.020 . 1 . . . . 163 ILE HB . 17327 1 1229 . 1 1 146 146 ILE HG21 H 1 0.516 0.020 . 1 . . . . 163 ILE HG21 . 17327 1 1230 . 1 1 146 146 ILE HG22 H 1 0.516 0.020 . 1 . . . . 163 ILE HG22 . 17327 1 1231 . 1 1 146 146 ILE HG23 H 1 0.516 0.020 . 1 . . . . 163 ILE HG23 . 17327 1 1232 . 1 1 146 146 ILE HD11 H 1 -0.250 0.020 . 1 . . . . 163 ILE HD11 . 17327 1 1233 . 1 1 146 146 ILE HD12 H 1 -0.250 0.020 . 1 . . . . 163 ILE HD12 . 17327 1 1234 . 1 1 146 146 ILE HD13 H 1 -0.250 0.020 . 1 . . . . 163 ILE HD13 . 17327 1 1235 . 1 1 146 146 ILE C C 13 177.551 0.400 . 1 . . . . 163 ILE C . 17327 1 1236 . 1 1 146 146 ILE CA C 13 66.276 0.400 . 1 . . . . 163 ILE CA . 17327 1 1237 . 1 1 146 146 ILE CB C 13 37.695 0.400 . 1 . . . . 163 ILE CB . 17327 1 1238 . 1 1 146 146 ILE CG2 C 13 17.513 0.400 . 1 . . . . 163 ILE CG2 . 17327 1 1239 . 1 1 146 146 ILE CD1 C 13 12.318 0.400 . 1 . . . . 163 ILE CD1 . 17327 1 1240 . 1 1 146 146 ILE N N 15 117.273 0.400 . 1 . . . . 163 ILE N . 17327 1 1241 . 1 1 147 147 TYR H H 1 8.922 0.020 . 1 . . . . 164 TYR H . 17327 1 1242 . 1 1 147 147 TYR C C 13 177.490 0.400 . 1 . . . . 164 TYR C . 17327 1 1243 . 1 1 147 147 TYR CA C 13 62.390 0.400 . 1 . . . . 164 TYR CA . 17327 1 1244 . 1 1 147 147 TYR CB C 13 38.050 0.400 . 1 . . . . 164 TYR CB . 17327 1 1245 . 1 1 147 147 TYR N N 15 119.839 0.400 . 1 . . . . 164 TYR N . 17327 1 1246 . 1 1 148 148 GLU H H 1 8.355 0.020 . 1 . . . . 165 GLU H . 17327 1 1247 . 1 1 148 148 GLU HA H 1 3.672 0.020 . 1 . . . . 165 GLU HA . 17327 1 1248 . 1 1 148 148 GLU HB2 H 1 1.743 0.020 . 1 . . . . 165 GLU HB2 . 17327 1 1249 . 1 1 148 148 GLU HB3 H 1 1.743 0.020 . 1 . . . . 165 GLU HB3 . 17327 1 1250 . 1 1 148 148 GLU C C 13 178.853 0.400 . 1 . . . . 165 GLU C . 17327 1 1251 . 1 1 148 148 GLU CA C 13 58.925 0.400 . 1 . . . . 165 GLU CA . 17327 1 1252 . 1 1 148 148 GLU CB C 13 28.439 0.400 . 1 . . . . 165 GLU CB . 17327 1 1253 . 1 1 148 148 GLU N N 15 118.920 0.400 . 1 . . . . 165 GLU N . 17327 1 1254 . 1 1 149 149 LEU H H 1 7.731 0.020 . 1 . . . . 166 LEU H . 17327 1 1255 . 1 1 149 149 LEU HA H 1 4.005 0.020 . 1 . . . . 166 LEU HA . 17327 1 1256 . 1 1 149 149 LEU C C 13 177.794 0.400 . 1 . . . . 166 LEU C . 17327 1 1257 . 1 1 149 149 LEU CA C 13 57.139 0.400 . 1 . . . . 166 LEU CA . 17327 1 1258 . 1 1 149 149 LEU CB C 13 42.426 0.400 . 1 . . . . 166 LEU CB . 17327 1 1259 . 1 1 149 149 LEU N N 15 117.945 0.400 . 1 . . . . 166 LEU N . 17327 1 1260 . 1 1 150 150 TRP H H 1 8.595 0.020 . 1 . . . . 167 TRP H . 17327 1 1261 . 1 1 150 150 TRP HA H 1 4.338 0.020 . 1 . . . . 167 TRP HA . 17327 1 1262 . 1 1 150 150 TRP HB2 H 1 3.086 0.020 . 1 . . . . 167 TRP HB2 . 17327 1 1263 . 1 1 150 150 TRP HB3 H 1 3.086 0.020 . 1 . . . . 167 TRP HB3 . 17327 1 1264 . 1 1 150 150 TRP HD1 H 1 7.027 0.020 . 1 . . . . 167 TRP HD1 . 17327 1 1265 . 1 1 150 150 TRP HE3 H 1 7.392 0.020 . 1 . . . . 167 TRP HE3 . 17327 1 1266 . 1 1 150 150 TRP HZ2 H 1 7.400 0.020 . 1 . . . . 167 TRP HZ2 . 17327 1 1267 . 1 1 150 150 TRP HZ3 H 1 6.991 0.020 . 1 . . . . 167 TRP HZ3 . 17327 1 1268 . 1 1 150 150 TRP HH2 H 1 7.159 0.020 . 1 . . . . 167 TRP HH2 . 17327 1 1269 . 1 1 150 150 TRP C C 13 176.541 0.400 . 1 . . . . 167 TRP C . 17327 1 1270 . 1 1 150 150 TRP CA C 13 59.664 0.400 . 1 . . . . 167 TRP CA . 17327 1 1271 . 1 1 150 150 TRP CB C 13 30.302 0.400 . 1 . . . . 167 TRP CB . 17327 1 1272 . 1 1 150 150 TRP CD1 C 13 126.095 0.400 . 1 . . . . 167 TRP CD1 . 17327 1 1273 . 1 1 150 150 TRP CE3 C 13 120.365 0.400 . 1 . . . . 167 TRP CE3 . 17327 1 1274 . 1 1 150 150 TRP CZ2 C 13 114.534 0.400 . 1 . . . . 167 TRP CZ2 . 17327 1 1275 . 1 1 150 150 TRP CZ3 C 13 121.298 0.400 . 1 . . . . 167 TRP CZ3 . 17327 1 1276 . 1 1 150 150 TRP CH2 C 13 124.184 0.400 . 1 . . . . 167 TRP CH2 . 17327 1 1277 . 1 1 150 150 TRP N N 15 119.475 0.400 . 1 . . . . 167 TRP N . 17327 1 1278 . 1 1 150 150 TRP NE1 N 15 128.900 0.400 . 1 . . . . 167 TRP NE1 . 17327 1 1279 . 1 1 151 151 ALA H H 1 8.541 0.020 . 1 . . . . 168 ALA H . 17327 1 1280 . 1 1 151 151 ALA HA H 1 4.152 0.020 . 1 . . . . 168 ALA HA . 17327 1 1281 . 1 1 151 151 ALA HB1 H 1 1.016 0.020 . 1 . . . . 168 ALA HB1 . 17327 1 1282 . 1 1 151 151 ALA HB2 H 1 1.016 0.020 . 1 . . . . 168 ALA HB2 . 17327 1 1283 . 1 1 151 151 ALA HB3 H 1 1.016 0.020 . 1 . . . . 168 ALA HB3 . 17327 1 1284 . 1 1 151 151 ALA C C 13 177.717 0.400 . 1 . . . . 168 ALA C . 17327 1 1285 . 1 1 151 151 ALA CA C 13 52.202 0.400 . 1 . . . . 168 ALA CA . 17327 1 1286 . 1 1 151 151 ALA CB C 13 20.764 0.400 . 1 . . . . 168 ALA CB . 17327 1 1287 . 1 1 151 151 ALA N N 15 118.480 0.400 . 1 . . . . 168 ALA N . 17327 1 1288 . 1 1 152 152 GLY H H 1 7.378 0.020 . 1 . . . . 169 GLY H . 17327 1 1289 . 1 1 152 152 GLY C C 13 175.594 0.400 . 1 . . . . 169 GLY C . 17327 1 1290 . 1 1 152 152 GLY CA C 13 45.238 0.400 . 1 . . . . 169 GLY CA . 17327 1 1291 . 1 1 152 152 GLY N N 15 107.855 0.400 . 1 . . . . 169 GLY N . 17327 1 1292 . 1 1 153 153 GLU H H 1 8.730 0.020 . 1 . . . . 170 GLU H . 17327 1 1293 . 1 1 153 153 GLU HA H 1 4.137 0.020 . 1 . . . . 170 GLU HA . 17327 1 1294 . 1 1 153 153 GLU HB2 H 1 1.973 0.020 . 1 . . . . 170 GLU HB2 . 17327 1 1295 . 1 1 153 153 GLU HB3 H 1 1.973 0.020 . 1 . . . . 170 GLU HB3 . 17327 1 1296 . 1 1 153 153 GLU C C 13 178.122 0.400 . 1 . . . . 170 GLU C . 17327 1 1297 . 1 1 153 153 GLU CA C 13 58.567 0.400 . 1 . . . . 170 GLU CA . 17327 1 1298 . 1 1 153 153 GLU CB C 13 30.000 0.400 . 1 . . . . 170 GLU CB . 17327 1 1299 . 1 1 153 153 GLU N N 15 123.904 0.400 . 1 . . . . 170 GLU N . 17327 1 1300 . 1 1 154 154 GLY H H 1 8.476 0.020 . 1 . . . . 171 GLY H . 17327 1 1301 . 1 1 154 154 GLY C C 13 174.502 0.400 . 1 . . . . 171 GLY C . 17327 1 1302 . 1 1 154 154 GLY CA C 13 46.717 0.400 . 1 . . . . 171 GLY CA . 17327 1 1303 . 1 1 154 154 GLY N N 15 106.295 0.400 . 1 . . . . 171 GLY N . 17327 1 1304 . 1 1 155 155 LYS H H 1 7.236 0.020 . 1 . . . . 172 LYS H . 17327 1 1305 . 1 1 155 155 LYS HA H 1 3.917 0.020 . 1 . . . . 172 LYS HA . 17327 1 1306 . 1 1 155 155 LYS C C 13 177.929 0.400 . 1 . . . . 172 LYS C . 17327 1 1307 . 1 1 155 155 LYS CA C 13 57.915 0.400 . 1 . . . . 172 LYS CA . 17327 1 1308 . 1 1 155 155 LYS CB C 13 31.400 0.400 . 1 . . . . 172 LYS CB . 17327 1 1309 . 1 1 155 155 LYS N N 15 120.180 0.400 . 1 . . . . 172 LYS N . 17327 1 1310 . 1 1 156 156 SER H H 1 7.756 0.020 . 1 . . . . 173 SER H . 17327 1 1311 . 1 1 156 156 SER HA H 1 4.295 0.020 . 1 . . . . 173 SER HA . 17327 1 1312 . 1 1 156 156 SER HB2 H 1 3.899 0.020 . 1 . . . . 173 SER HB2 . 17327 1 1313 . 1 1 156 156 SER HB3 H 1 3.899 0.020 . 1 . . . . 173 SER HB3 . 17327 1 1314 . 1 1 156 156 SER C C 13 175.632 0.400 . 1 . . . . 173 SER C . 17327 1 1315 . 1 1 156 156 SER CA C 13 59.756 0.400 . 1 . . . . 173 SER CA . 17327 1 1316 . 1 1 156 156 SER CB C 13 63.301 0.400 . 1 . . . . 173 SER CB . 17327 1 1317 . 1 1 156 156 SER N N 15 113.512 0.400 . 1 . . . . 173 SER N . 17327 1 1318 . 1 1 157 157 ALA H H 1 7.712 0.020 . 1 . . . . 174 ALA H . 17327 1 1319 . 1 1 157 157 ALA HA H 1 4.202 0.020 . 1 . . . . 174 ALA HA . 17327 1 1320 . 1 1 157 157 ALA HB1 H 1 1.439 0.020 . 1 . . . . 174 ALA HB1 . 17327 1 1321 . 1 1 157 157 ALA HB2 H 1 1.439 0.020 . 1 . . . . 174 ALA HB2 . 17327 1 1322 . 1 1 157 157 ALA HB3 H 1 1.439 0.020 . 1 . . . . 174 ALA HB3 . 17327 1 1323 . 1 1 157 157 ALA C C 13 178.135 0.400 . 1 . . . . 174 ALA C . 17327 1 1324 . 1 1 157 157 ALA CA C 13 53.814 0.400 . 1 . . . . 174 ALA CA . 17327 1 1325 . 1 1 157 157 ALA CB C 13 19.368 0.400 . 1 . . . . 174 ALA CB . 17327 1 1326 . 1 1 157 157 ALA N N 15 123.299 0.400 . 1 . . . . 174 ALA N . 17327 1 1327 . 1 1 158 158 CYS H H 1 7.789 0.020 . 1 . . . . 175 CYS H . 17327 1 1328 . 1 1 158 158 CYS HA H 1 4.169 0.020 . 1 . . . . 175 CYS HA . 17327 1 1329 . 1 1 158 158 CYS HB2 H 1 2.486 0.020 . 1 . . . . 175 CYS HB2 . 17327 1 1330 . 1 1 158 158 CYS HB3 H 1 2.486 0.020 . 1 . . . . 175 CYS HB3 . 17327 1 1331 . 1 1 158 158 CYS C C 13 175.107 0.400 . 1 . . . . 175 CYS C . 17327 1 1332 . 1 1 158 158 CYS CA C 13 59.528 0.400 . 1 . . . . 175 CYS CA . 17327 1 1333 . 1 1 158 158 CYS CB C 13 27.301 0.400 . 1 . . . . 175 CYS CB . 17327 1 1334 . 1 1 158 158 CYS N N 15 114.531 0.400 . 1 . . . . 175 CYS N . 17327 1 1335 . 1 1 159 159 ASN H H 1 7.909 0.020 . 1 . . . . 176 ASN H . 17327 1 1336 . 1 1 159 159 ASN HA H 1 4.575 0.020 . 1 . . . . 176 ASN HA . 17327 1 1337 . 1 1 159 159 ASN HB2 H 1 2.861 0.020 . 1 . . . . 176 ASN HB2 . 17327 1 1338 . 1 1 159 159 ASN HB3 H 1 2.861 0.020 . 1 . . . . 176 ASN HB3 . 17327 1 1339 . 1 1 159 159 ASN C C 13 175.783 0.400 . 1 . . . . 176 ASN C . 17327 1 1340 . 1 1 159 159 ASN CA C 13 54.620 0.400 . 1 . . . . 176 ASN CA . 17327 1 1341 . 1 1 159 159 ASN CB C 13 38.589 0.400 . 1 . . . . 176 ASN CB . 17327 1 1342 . 1 1 159 159 ASN N N 15 118.545 0.400 . 1 . . . . 176 ASN N . 17327 1 1343 . 1 1 160 160 THR H H 1 7.717 0.020 . 1 . . . . 177 THR H . 17327 1 1344 . 1 1 160 160 THR HA H 1 4.386 0.020 . 1 . . . . 177 THR HA . 17327 1 1345 . 1 1 160 160 THR HB H 1 4.403 0.020 . 1 . . . . 177 THR HB . 17327 1 1346 . 1 1 160 160 THR HG21 H 1 1.180 0.020 . 1 . . . . 177 THR HG21 . 17327 1 1347 . 1 1 160 160 THR HG22 H 1 1.180 0.020 . 1 . . . . 177 THR HG22 . 17327 1 1348 . 1 1 160 160 THR HG23 H 1 1.180 0.020 . 1 . . . . 177 THR HG23 . 17327 1 1349 . 1 1 160 160 THR C C 13 173.954 0.400 . 1 . . . . 177 THR C . 17327 1 1350 . 1 1 160 160 THR CA C 13 61.472 0.400 . 1 . . . . 177 THR CA . 17327 1 1351 . 1 1 160 160 THR CB C 13 69.321 0.400 . 1 . . . . 177 THR CB . 17327 1 1352 . 1 1 160 160 THR CG2 C 13 21.555 0.400 . 1 . . . . 177 THR CG2 . 17327 1 1353 . 1 1 160 160 THR N N 15 110.504 0.400 . 1 . . . . 177 THR N . 17327 1 1354 . 1 1 161 161 ALA H H 1 7.697 0.020 . 1 . . . . 178 ALA H . 17327 1 1355 . 1 1 161 161 ALA HA H 1 4.476 0.020 . 1 . . . . 178 ALA HA . 17327 1 1356 . 1 1 161 161 ALA HB1 H 1 1.465 0.020 . 1 . . . . 178 ALA HB1 . 17327 1 1357 . 1 1 161 161 ALA HB2 H 1 1.465 0.020 . 1 . . . . 178 ALA HB2 . 17327 1 1358 . 1 1 161 161 ALA HB3 H 1 1.465 0.020 . 1 . . . . 178 ALA HB3 . 17327 1 1359 . 1 1 161 161 ALA C C 13 177.012 0.400 . 1 . . . . 178 ALA C . 17327 1 1360 . 1 1 161 161 ALA CA C 13 51.826 0.400 . 1 . . . . 178 ALA CA . 17327 1 1361 . 1 1 161 161 ALA CB C 13 19.867 0.400 . 1 . . . . 178 ALA CB . 17327 1 1362 . 1 1 161 161 ALA N N 15 125.091 0.400 . 1 . . . . 178 ALA N . 17327 1 1363 . 1 1 162 162 SER H H 1 8.070 0.020 . 1 . . . . 179 SER H . 17327 1 1364 . 1 1 162 162 SER CA C 13 56.330 0.400 . 1 . . . . 179 SER CA . 17327 1 1365 . 1 1 162 162 SER CB C 13 63.240 0.400 . 1 . . . . 179 SER CB . 17327 1 1366 . 1 1 162 162 SER N N 15 115.764 0.400 . 1 . . . . 179 SER N . 17327 1 1367 . 1 1 163 163 PRO HA H 1 4.312 0.020 . 1 . . . . 180 PRO HA . 17327 1 1368 . 1 1 163 163 PRO HB2 H 1 2.446 0.020 . 1 . . . . 180 PRO HB2 . 17327 1 1369 . 1 1 163 163 PRO HB3 H 1 2.446 0.020 . 1 . . . . 180 PRO HB3 . 17327 1 1370 . 1 1 163 163 PRO C C 13 178.933 0.400 . 1 . . . . 180 PRO C . 17327 1 1371 . 1 1 163 163 PRO CA C 13 65.827 0.400 . 1 . . . . 180 PRO CA . 17327 1 1372 . 1 1 163 163 PRO CB C 13 32.023 0.400 . 1 . . . . 180 PRO CB . 17327 1 1373 . 1 1 164 164 ALA H H 1 8.163 0.020 . 1 . . . . 181 ALA H . 17327 1 1374 . 1 1 164 164 ALA HA H 1 4.204 0.020 . 1 . . . . 181 ALA HA . 17327 1 1375 . 1 1 164 164 ALA HB1 H 1 1.485 0.020 . 1 . . . . 181 ALA HB1 . 17327 1 1376 . 1 1 164 164 ALA HB2 H 1 1.485 0.020 . 1 . . . . 181 ALA HB2 . 17327 1 1377 . 1 1 164 164 ALA HB3 H 1 1.485 0.020 . 1 . . . . 181 ALA HB3 . 17327 1 1378 . 1 1 164 164 ALA C C 13 180.060 0.400 . 1 . . . . 181 ALA C . 17327 1 1379 . 1 1 164 164 ALA CA C 13 55.213 0.400 . 1 . . . . 181 ALA CA . 17327 1 1380 . 1 1 164 164 ALA CB C 13 18.915 0.400 . 1 . . . . 181 ALA CB . 17327 1 1381 . 1 1 164 164 ALA N N 15 119.475 0.400 . 1 . . . . 181 ALA N . 17327 1 1382 . 1 1 165 165 VAL H H 1 7.476 0.020 . 1 . . . . 182 VAL H . 17327 1 1383 . 1 1 165 165 VAL HA H 1 3.663 0.020 . 1 . . . . 182 VAL HA . 17327 1 1384 . 1 1 165 165 VAL HG11 H 1 0.970 0.020 . 2 . . . . 182 VAL HG11 . 17327 1 1385 . 1 1 165 165 VAL HG12 H 1 0.970 0.020 . 2 . . . . 182 VAL HG12 . 17327 1 1386 . 1 1 165 165 VAL HG13 H 1 0.970 0.020 . 2 . . . . 182 VAL HG13 . 17327 1 1387 . 1 1 165 165 VAL HG21 H 1 1.102 0.020 . 2 . . . . 182 VAL HG21 . 17327 1 1388 . 1 1 165 165 VAL HG22 H 1 1.102 0.020 . 2 . . . . 182 VAL HG22 . 17327 1 1389 . 1 1 165 165 VAL HG23 H 1 1.102 0.020 . 2 . . . . 182 VAL HG23 . 17327 1 1390 . 1 1 165 165 VAL C C 13 177.650 0.400 . 1 . . . . 182 VAL C . 17327 1 1391 . 1 1 165 165 VAL CA C 13 66.330 0.400 . 1 . . . . 182 VAL CA . 17327 1 1392 . 1 1 165 165 VAL CB C 13 31.542 0.400 . 1 . . . . 182 VAL CB . 17327 1 1393 . 1 1 165 165 VAL CG1 C 13 21.765 0.400 . 1 . . . . 182 VAL CG1 . 17327 1 1394 . 1 1 165 165 VAL CG2 C 13 23.573 0.400 . 1 . . . . 182 VAL CG2 . 17327 1 1395 . 1 1 165 165 VAL N N 15 118.856 0.400 . 1 . . . . 182 VAL N . 17327 1 1396 . 1 1 166 166 GLN H H 1 8.369 0.020 . 1 . . . . 183 GLN H . 17327 1 1397 . 1 1 166 166 GLN HA H 1 3.996 0.020 . 1 . . . . 183 GLN HA . 17327 1 1398 . 1 1 166 166 GLN HB2 H 1 2.173 0.020 . 1 . . . . 183 GLN HB2 . 17327 1 1399 . 1 1 166 166 GLN HB3 H 1 2.173 0.020 . 1 . . . . 183 GLN HB3 . 17327 1 1400 . 1 1 166 166 GLN C C 13 178.549 0.400 . 1 . . . . 183 GLN C . 17327 1 1401 . 1 1 166 166 GLN CA C 13 59.779 0.400 . 1 . . . . 183 GLN CA . 17327 1 1402 . 1 1 166 166 GLN CB C 13 28.513 0.400 . 1 . . . . 183 GLN CB . 17327 1 1403 . 1 1 166 166 GLN N N 15 119.310 0.400 . 1 . . . . 183 GLN N . 17327 1 1404 . 1 1 167 167 SER H H 1 8.261 0.020 . 1 . . . . 184 SER H . 17327 1 1405 . 1 1 167 167 SER HA H 1 4.084 0.020 . 1 . . . . 184 SER HA . 17327 1 1406 . 1 1 167 167 SER C C 13 177.241 0.400 . 1 . . . . 184 SER C . 17327 1 1407 . 1 1 167 167 SER CA C 13 62.109 0.400 . 1 . . . . 184 SER CA . 17327 1 1408 . 1 1 167 167 SER CB C 13 63.220 0.400 . 1 . . . . 184 SER CB . 17327 1 1409 . 1 1 167 167 SER N N 15 113.405 0.400 . 1 . . . . 184 SER N . 17327 1 1410 . 1 1 168 168 ALA H H 1 7.930 0.020 . 1 . . . . 185 ALA H . 17327 1 1411 . 1 1 168 168 ALA HA H 1 4.069 0.020 . 1 . . . . 185 ALA HA . 17327 1 1412 . 1 1 168 168 ALA HB1 H 1 1.564 0.020 . 1 . . . . 185 ALA HB1 . 17327 1 1413 . 1 1 168 168 ALA HB2 H 1 1.564 0.020 . 1 . . . . 185 ALA HB2 . 17327 1 1414 . 1 1 168 168 ALA HB3 H 1 1.564 0.020 . 1 . . . . 185 ALA HB3 . 17327 1 1415 . 1 1 168 168 ALA C C 13 178.295 0.400 . 1 . . . . 185 ALA C . 17327 1 1416 . 1 1 168 168 ALA CA C 13 55.880 0.400 . 1 . . . . 185 ALA CA . 17327 1 1417 . 1 1 168 168 ALA CB C 13 18.606 0.400 . 1 . . . . 185 ALA CB . 17327 1 1418 . 1 1 168 168 ALA N N 15 125.910 0.400 . 1 . . . . 185 ALA N . 17327 1 1419 . 1 1 169 169 TYR H H 1 8.756 0.020 . 1 . . . . 186 TYR H . 17327 1 1420 . 1 1 169 169 TYR HA H 1 4.377 0.020 . 1 . . . . 186 TYR HA . 17327 1 1421 . 1 1 169 169 TYR C C 13 177.370 0.400 . 1 . . . . 186 TYR C . 17327 1 1422 . 1 1 169 169 TYR CA C 13 62.016 0.400 . 1 . . . . 186 TYR CA . 17327 1 1423 . 1 1 169 169 TYR CB C 13 38.750 0.400 . 1 . . . . 186 TYR CB . 17327 1 1424 . 1 1 169 169 TYR N N 15 119.378 0.400 . 1 . . . . 186 TYR N . 17327 1 1425 . 1 1 170 170 ASN H H 1 8.635 0.020 . 1 . . . . 187 ASN H . 17327 1 1426 . 1 1 170 170 ASN HA H 1 4.262 0.020 . 1 . . . . 187 ASN HA . 17327 1 1427 . 1 1 170 170 ASN HB2 H 1 2.674 0.020 . 1 . . . . 187 ASN HB2 . 17327 1 1428 . 1 1 170 170 ASN HB3 H 1 2.674 0.020 . 1 . . . . 187 ASN HB3 . 17327 1 1429 . 1 1 170 170 ASN C C 13 177.092 0.400 . 1 . . . . 187 ASN C . 17327 1 1430 . 1 1 170 170 ASN CA C 13 56.245 0.400 . 1 . . . . 187 ASN CA . 17327 1 1431 . 1 1 170 170 ASN CB C 13 38.005 0.400 . 1 . . . . 187 ASN CB . 17327 1 1432 . 1 1 170 170 ASN N N 15 117.158 0.400 . 1 . . . . 187 ASN N . 17327 1 1433 . 1 1 171 171 THR H H 1 8.040 0.020 . 1 . . . . 188 THR H . 17327 1 1434 . 1 1 171 171 THR HG21 H 1 1.306 0.020 . 1 . . . . 188 THR HG21 . 17327 1 1435 . 1 1 171 171 THR HG22 H 1 1.306 0.020 . 1 . . . . 188 THR HG22 . 17327 1 1436 . 1 1 171 171 THR HG23 H 1 1.306 0.020 . 1 . . . . 188 THR HG23 . 17327 1 1437 . 1 1 171 171 THR C C 13 176.019 0.400 . 1 . . . . 188 THR C . 17327 1 1438 . 1 1 171 171 THR CA C 13 68.110 0.400 . 1 . . . . 188 THR CA . 17327 1 1439 . 1 1 171 171 THR CG2 C 13 21.672 0.400 . 1 . . . . 188 THR CG2 . 17327 1 1440 . 1 1 171 171 THR N N 15 115.973 0.400 . 1 . . . . 188 THR N . 17327 1 1441 . 1 1 172 172 MET H H 1 7.958 0.020 . 1 . . . . 189 MET H . 17327 1 1442 . 1 1 172 172 MET HA H 1 3.570 0.020 . 1 . . . . 189 MET HA . 17327 1 1443 . 1 1 172 172 MET HE1 H 1 2.331 0.020 . 1 . . . . 189 MET HE1 . 17327 1 1444 . 1 1 172 172 MET HE2 H 1 2.331 0.020 . 1 . . . . 189 MET HE2 . 17327 1 1445 . 1 1 172 172 MET HE3 H 1 2.331 0.020 . 1 . . . . 189 MET HE3 . 17327 1 1446 . 1 1 172 172 MET C C 13 177.136 0.400 . 1 . . . . 189 MET C . 17327 1 1447 . 1 1 172 172 MET CA C 13 59.535 0.400 . 1 . . . . 189 MET CA . 17327 1 1448 . 1 1 172 172 MET CE C 13 17.764 0.400 . 1 . . . . 189 MET CE . 17327 1 1449 . 1 1 172 172 MET N N 15 120.296 0.400 . 1 . . . . 189 MET N . 17327 1 1450 . 1 1 173 173 MET H H 1 8.065 0.020 . 1 . . . . 190 MET H . 17327 1 1451 . 1 1 173 173 MET HA H 1 3.867 0.020 . 1 . . . . 190 MET HA . 17327 1 1452 . 1 1 173 173 MET HE1 H 1 1.778 0.020 . 1 . . . . 190 MET HE1 . 17327 1 1453 . 1 1 173 173 MET HE2 H 1 1.778 0.020 . 1 . . . . 190 MET HE2 . 17327 1 1454 . 1 1 173 173 MET HE3 H 1 1.778 0.020 . 1 . . . . 190 MET HE3 . 17327 1 1455 . 1 1 173 173 MET C C 13 177.688 0.400 . 1 . . . . 190 MET C . 17327 1 1456 . 1 1 173 173 MET CA C 13 58.764 0.400 . 1 . . . . 190 MET CA . 17327 1 1457 . 1 1 173 173 MET CB C 13 31.951 0.400 . 1 . . . . 190 MET CB . 17327 1 1458 . 1 1 173 173 MET CE C 13 16.597 0.400 . 1 . . . . 190 MET CE . 17327 1 1459 . 1 1 173 173 MET N N 15 116.857 0.400 . 1 . . . . 190 MET N . 17327 1 1460 . 1 1 174 174 TYR H H 1 8.365 0.020 . 1 . . . . 191 TYR H . 17327 1 1461 . 1 1 174 174 TYR HA H 1 4.409 0.020 . 1 . . . . 191 TYR HA . 17327 1 1462 . 1 1 174 174 TYR HB2 H 1 3.235 0.020 . 1 . . . . 191 TYR HB2 . 17327 1 1463 . 1 1 174 174 TYR HB3 H 1 3.235 0.020 . 1 . . . . 191 TYR HB3 . 17327 1 1464 . 1 1 174 174 TYR C C 13 178.795 0.400 . 1 . . . . 191 TYR C . 17327 1 1465 . 1 1 174 174 TYR CA C 13 61.456 0.400 . 1 . . . . 191 TYR CA . 17327 1 1466 . 1 1 174 174 TYR CB C 13 38.153 0.400 . 1 . . . . 191 TYR CB . 17327 1 1467 . 1 1 174 174 TYR N N 15 116.807 0.400 . 1 . . . . 191 TYR N . 17327 1 1468 . 1 1 175 175 ILE H H 1 8.189 0.020 . 1 . . . . 192 ILE H . 17327 1 1469 . 1 1 175 175 ILE HA H 1 3.101 0.020 . 1 . . . . 192 ILE HA . 17327 1 1470 . 1 1 175 175 ILE HG21 H 1 0.476 0.020 . 1 . . . . 192 ILE HG21 . 17327 1 1471 . 1 1 175 175 ILE HG22 H 1 0.476 0.020 . 1 . . . . 192 ILE HG22 . 17327 1 1472 . 1 1 175 175 ILE HG23 H 1 0.476 0.020 . 1 . . . . 192 ILE HG23 . 17327 1 1473 . 1 1 175 175 ILE HD11 H 1 0.099 0.020 . 1 . . . . 192 ILE HD11 . 17327 1 1474 . 1 1 175 175 ILE HD12 H 1 0.099 0.020 . 1 . . . . 192 ILE HD12 . 17327 1 1475 . 1 1 175 175 ILE HD13 H 1 0.099 0.020 . 1 . . . . 192 ILE HD13 . 17327 1 1476 . 1 1 175 175 ILE C C 13 175.432 0.400 . 1 . . . . 192 ILE C . 17327 1 1477 . 1 1 175 175 ILE CA C 13 64.001 0.400 . 1 . . . . 192 ILE CA . 17327 1 1478 . 1 1 175 175 ILE CB C 13 37.283 0.400 . 1 . . . . 192 ILE CB . 17327 1 1479 . 1 1 175 175 ILE CG2 C 13 16.685 0.400 . 1 . . . . 192 ILE CG2 . 17327 1 1480 . 1 1 175 175 ILE CD1 C 13 12.359 0.400 . 1 . . . . 192 ILE CD1 . 17327 1 1481 . 1 1 175 175 ILE N N 15 119.828 0.400 . 1 . . . . 192 ILE N . 17327 1 1482 . 1 1 176 176 ILE H H 1 7.712 0.020 . 1 . . . . 193 ILE H . 17327 1 1483 . 1 1 176 176 ILE HA H 1 3.835 0.020 . 1 . . . . 193 ILE HA . 17327 1 1484 . 1 1 176 176 ILE HB H 1 1.934 0.020 . 1 . . . . 193 ILE HB . 17327 1 1485 . 1 1 176 176 ILE HG21 H 1 1.193 0.020 . 1 . . . . 193 ILE HG21 . 17327 1 1486 . 1 1 176 176 ILE HG22 H 1 1.193 0.020 . 1 . . . . 193 ILE HG22 . 17327 1 1487 . 1 1 176 176 ILE HG23 H 1 1.193 0.020 . 1 . . . . 193 ILE HG23 . 17327 1 1488 . 1 1 176 176 ILE HD11 H 1 0.938 0.020 . 1 . . . . 193 ILE HD11 . 17327 1 1489 . 1 1 176 176 ILE HD12 H 1 0.938 0.020 . 1 . . . . 193 ILE HD12 . 17327 1 1490 . 1 1 176 176 ILE HD13 H 1 0.938 0.020 . 1 . . . . 193 ILE HD13 . 17327 1 1491 . 1 1 176 176 ILE C C 13 176.866 0.400 . 1 . . . . 193 ILE C . 17327 1 1492 . 1 1 176 176 ILE CA C 13 65.277 0.400 . 1 . . . . 193 ILE CA . 17327 1 1493 . 1 1 176 176 ILE CB C 13 36.976 0.400 . 1 . . . . 193 ILE CB . 17327 1 1494 . 1 1 176 176 ILE CG2 C 13 19.151 0.400 . 1 . . . . 193 ILE CG2 . 17327 1 1495 . 1 1 176 176 ILE CD1 C 13 12.871 0.400 . 1 . . . . 193 ILE CD1 . 17327 1 1496 . 1 1 176 176 ILE N N 15 116.552 0.400 . 1 . . . . 193 ILE N . 17327 1 1497 . 1 1 177 177 ILE H H 1 7.672 0.020 . 1 . . . . 194 ILE H . 17327 1 1498 . 1 1 177 177 ILE HA H 1 3.953 0.020 . 1 . . . . 194 ILE HA . 17327 1 1499 . 1 1 177 177 ILE HB H 1 1.370 0.020 . 1 . . . . 194 ILE HB . 17327 1 1500 . 1 1 177 177 ILE HG21 H 1 0.050 0.020 . 1 . . . . 194 ILE HG21 . 17327 1 1501 . 1 1 177 177 ILE HG22 H 1 0.050 0.020 . 1 . . . . 194 ILE HG22 . 17327 1 1502 . 1 1 177 177 ILE HG23 H 1 0.050 0.020 . 1 . . . . 194 ILE HG23 . 17327 1 1503 . 1 1 177 177 ILE HD11 H 1 0.527 0.020 . 1 . . . . 194 ILE HD11 . 17327 1 1504 . 1 1 177 177 ILE HD12 H 1 0.527 0.020 . 1 . . . . 194 ILE HD12 . 17327 1 1505 . 1 1 177 177 ILE HD13 H 1 0.527 0.020 . 1 . . . . 194 ILE HD13 . 17327 1 1506 . 1 1 177 177 ILE C C 13 174.552 0.400 . 1 . . . . 194 ILE C . 17327 1 1507 . 1 1 177 177 ILE CA C 13 65.018 0.400 . 1 . . . . 194 ILE CA . 17327 1 1508 . 1 1 177 177 ILE CB C 13 38.952 0.400 . 1 . . . . 194 ILE CB . 17327 1 1509 . 1 1 177 177 ILE CG2 C 13 16.576 0.400 . 1 . . . . 194 ILE CG2 . 17327 1 1510 . 1 1 177 177 ILE CD1 C 13 14.080 0.400 . 1 . . . . 194 ILE CD1 . 17327 1 1511 . 1 1 177 177 ILE N N 15 119.512 0.400 . 1 . . . . 194 ILE N . 17327 1 1512 . 1 1 178 178 PHE H H 1 8.035 0.020 . 1 . . . . 195 PHE H . 17327 1 1513 . 1 1 178 178 PHE HA H 1 4.481 0.020 . 1 . . . . 195 PHE HA . 17327 1 1514 . 1 1 178 178 PHE HB2 H 1 3.060 0.020 . 1 . . . . 195 PHE HB2 . 17327 1 1515 . 1 1 178 178 PHE HB3 H 1 3.060 0.020 . 1 . . . . 195 PHE HB3 . 17327 1 1516 . 1 1 178 178 PHE C C 13 176.939 0.400 . 1 . . . . 195 PHE C . 17327 1 1517 . 1 1 178 178 PHE CA C 13 61.019 0.400 . 1 . . . . 195 PHE CA . 17327 1 1518 . 1 1 178 178 PHE CB C 13 40.193 0.400 . 1 . . . . 195 PHE CB . 17327 1 1519 . 1 1 178 178 PHE N N 15 111.560 0.400 . 1 . . . . 195 PHE N . 17327 1 1520 . 1 1 179 179 GLY H H 1 8.244 0.020 . 1 . . . . 196 GLY H . 17327 1 1521 . 1 1 179 179 GLY C C 13 179.304 0.400 . 1 . . . . 196 GLY C . 17327 1 1522 . 1 1 179 179 GLY CA C 13 48.162 0.400 . 1 . . . . 196 GLY CA . 17327 1 1523 . 1 1 179 179 GLY N N 15 105.334 0.400 . 1 . . . . 196 GLY N . 17327 1 1524 . 1 1 180 180 TRP H H 1 8.966 0.020 . 1 . . . . 197 TRP H . 17327 1 1525 . 1 1 180 180 TRP HD1 H 1 7.439 0.020 . 1 . . . . 197 TRP HD1 . 17327 1 1526 . 1 1 180 180 TRP HE3 H 1 7.504 0.020 . 1 . . . . 197 TRP HE3 . 17327 1 1527 . 1 1 180 180 TRP HZ2 H 1 7.152 0.020 . 1 . . . . 197 TRP HZ2 . 17327 1 1528 . 1 1 180 180 TRP HH2 H 1 6.992 0.020 . 1 . . . . 197 TRP HH2 . 17327 1 1529 . 1 1 180 180 TRP C C 13 177.335 0.400 . 1 . . . . 197 TRP C . 17327 1 1530 . 1 1 180 180 TRP CD1 C 13 125.576 0.400 . 1 . . . . 197 TRP CD1 . 17327 1 1531 . 1 1 180 180 TRP CE3 C 13 121.233 0.400 . 1 . . . . 197 TRP CE3 . 17327 1 1532 . 1 1 180 180 TRP CZ2 C 13 112.887 0.400 . 1 . . . . 197 TRP CZ2 . 17327 1 1533 . 1 1 180 180 TRP CH2 C 13 123.777 0.400 . 1 . . . . 197 TRP CH2 . 17327 1 1534 . 1 1 180 180 TRP N N 15 121.643 0.400 . 1 . . . . 197 TRP N . 17327 1 1535 . 1 1 180 180 TRP NE1 N 15 127.200 0.400 . 1 . . . . 197 TRP NE1 . 17327 1 1536 . 1 1 181 181 ALA H H 1 7.263 0.020 . 1 . . . . 198 ALA H . 17327 1 1537 . 1 1 181 181 ALA HA H 1 3.777 0.020 . 1 . . . . 198 ALA HA . 17327 1 1538 . 1 1 181 181 ALA HB1 H 1 1.841 0.020 . 1 . . . . 198 ALA HB1 . 17327 1 1539 . 1 1 181 181 ALA HB2 H 1 1.841 0.020 . 1 . . . . 198 ALA HB2 . 17327 1 1540 . 1 1 181 181 ALA HB3 H 1 1.841 0.020 . 1 . . . . 198 ALA HB3 . 17327 1 1541 . 1 1 181 181 ALA C C 13 177.015 0.400 . 1 . . . . 198 ALA C . 17327 1 1542 . 1 1 181 181 ALA CA C 13 54.284 0.400 . 1 . . . . 198 ALA CA . 17327 1 1543 . 1 1 181 181 ALA CB C 13 18.710 0.400 . 1 . . . . 198 ALA CB . 17327 1 1544 . 1 1 181 181 ALA N N 15 118.247 0.400 . 1 . . . . 198 ALA N . 17327 1 1545 . 1 1 182 182 ILE H H 1 7.131 0.020 . 1 . . . . 199 ILE H . 17327 1 1546 . 1 1 182 182 ILE HA H 1 3.338 0.020 . 1 . . . . 199 ILE HA . 17327 1 1547 . 1 1 182 182 ILE HG21 H 1 0.710 0.020 . 1 . . . . 199 ILE HG21 . 17327 1 1548 . 1 1 182 182 ILE HG22 H 1 0.710 0.020 . 1 . . . . 199 ILE HG22 . 17327 1 1549 . 1 1 182 182 ILE HG23 H 1 0.710 0.020 . 1 . . . . 199 ILE HG23 . 17327 1 1550 . 1 1 182 182 ILE HD11 H 1 0.896 0.020 . 1 . . . . 199 ILE HD11 . 17327 1 1551 . 1 1 182 182 ILE HD12 H 1 0.896 0.020 . 1 . . . . 199 ILE HD12 . 17327 1 1552 . 1 1 182 182 ILE HD13 H 1 0.896 0.020 . 1 . . . . 199 ILE HD13 . 17327 1 1553 . 1 1 182 182 ILE C C 13 176.885 0.400 . 1 . . . . 199 ILE C . 17327 1 1554 . 1 1 182 182 ILE CA C 13 65.017 0.400 . 1 . . . . 199 ILE CA . 17327 1 1555 . 1 1 182 182 ILE CB C 13 38.338 0.400 . 1 . . . . 199 ILE CB . 17327 1 1556 . 1 1 182 182 ILE CG2 C 13 19.654 0.400 . 1 . . . . 199 ILE CG2 . 17327 1 1557 . 1 1 182 182 ILE CD1 C 13 13.541 0.400 . 1 . . . . 199 ILE CD1 . 17327 1 1558 . 1 1 182 182 ILE N N 15 111.841 0.400 . 1 . . . . 199 ILE N . 17327 1 1559 . 1 1 183 183 TYR H H 1 7.031 0.020 . 1 . . . . 200 TYR H . 17327 1 1560 . 1 1 183 183 TYR CA C 13 64.070 0.400 . 1 . . . . 200 TYR CA . 17327 1 1561 . 1 1 183 183 TYR N N 15 114.318 0.400 . 1 . . . . 200 TYR N . 17327 1 1562 . 1 1 184 184 PRO HA H 1 3.943 0.020 . 1 . . . . 201 PRO HA . 17327 1 1563 . 1 1 184 184 PRO C C 13 178.524 0.400 . 1 . . . . 201 PRO C . 17327 1 1564 . 1 1 184 184 PRO CA C 13 61.426 0.400 . 1 . . . . 201 PRO CA . 17327 1 1565 . 1 1 184 184 PRO CB C 13 37.863 0.400 . 1 . . . . 201 PRO CB . 17327 1 1566 . 1 1 185 185 VAL H H 1 7.180 0.020 . 1 . . . . 202 VAL H . 17327 1 1567 . 1 1 185 185 VAL HA H 1 3.753 0.020 . 1 . . . . 202 VAL HA . 17327 1 1568 . 1 1 185 185 VAL HB H 1 2.456 0.020 . 1 . . . . 202 VAL HB . 17327 1 1569 . 1 1 185 185 VAL HG21 H 1 1.087 0.020 . 1 . . . . 202 VAL HG21 . 17327 1 1570 . 1 1 185 185 VAL HG22 H 1 1.087 0.020 . 1 . . . . 202 VAL HG22 . 17327 1 1571 . 1 1 185 185 VAL HG23 H 1 1.087 0.020 . 1 . . . . 202 VAL HG23 . 17327 1 1572 . 1 1 185 185 VAL C C 13 178.279 0.400 . 1 . . . . 202 VAL C . 17327 1 1573 . 1 1 185 185 VAL CA C 13 67.902 0.400 . 1 . . . . 202 VAL CA . 17327 1 1574 . 1 1 185 185 VAL CB C 13 30.836 0.400 . 1 . . . . 202 VAL CB . 17327 1 1575 . 1 1 185 185 VAL CG2 C 13 23.309 0.400 . 1 . . . . 202 VAL CG2 . 17327 1 1576 . 1 1 185 185 VAL N N 15 118.048 0.400 . 1 . . . . 202 VAL N . 17327 1 1577 . 1 1 186 186 GLY H H 1 8.406 0.020 . 1 . . . . 203 GLY H . 17327 1 1578 . 1 1 186 186 GLY C C 13 174.571 0.400 . 1 . . . . 203 GLY C . 17327 1 1579 . 1 1 186 186 GLY CA C 13 48.344 0.400 . 1 . . . . 203 GLY CA . 17327 1 1580 . 1 1 186 186 GLY N N 15 110.985 0.400 . 1 . . . . 203 GLY N . 17327 1 1581 . 1 1 187 187 TYR H H 1 8.484 0.020 . 1 . . . . 204 TYR H . 17327 1 1582 . 1 1 187 187 TYR HA H 1 4.208 0.020 . 1 . . . . 204 TYR HA . 17327 1 1583 . 1 1 187 187 TYR C C 13 178.303 0.400 . 1 . . . . 204 TYR C . 17327 1 1584 . 1 1 187 187 TYR CA C 13 61.775 0.400 . 1 . . . . 204 TYR CA . 17327 1 1585 . 1 1 187 187 TYR CB C 13 38.572 0.400 . 1 . . . . 204 TYR CB . 17327 1 1586 . 1 1 187 187 TYR N N 15 124.703 0.400 . 1 . . . . 204 TYR N . 17327 1 1587 . 1 1 188 188 PHE H H 1 8.979 0.020 . 1 . . . . 205 PHE H . 17327 1 1588 . 1 1 188 188 PHE HA H 1 3.580 0.020 . 1 . . . . 205 PHE HA . 17327 1 1589 . 1 1 188 188 PHE HB2 H 1 3.043 0.020 . 1 . . . . 205 PHE HB2 . 17327 1 1590 . 1 1 188 188 PHE HB3 H 1 3.043 0.020 . 1 . . . . 205 PHE HB3 . 17327 1 1591 . 1 1 188 188 PHE C C 13 178.078 0.400 . 1 . . . . 205 PHE C . 17327 1 1592 . 1 1 188 188 PHE CA C 13 61.808 0.400 . 1 . . . . 205 PHE CA . 17327 1 1593 . 1 1 188 188 PHE CB C 13 39.850 0.400 . 1 . . . . 205 PHE CB . 17327 1 1594 . 1 1 188 188 PHE N N 15 120.582 0.400 . 1 . . . . 205 PHE N . 17327 1 1595 . 1 1 189 189 THR H H 1 8.350 0.020 . 1 . . . . 206 THR H . 17327 1 1596 . 1 1 189 189 THR HA H 1 4.062 0.020 . 1 . . . . 206 THR HA . 17327 1 1597 . 1 1 189 189 THR HB H 1 4.223 0.020 . 1 . . . . 206 THR HB . 17327 1 1598 . 1 1 189 189 THR HG21 H 1 1.320 0.020 . 1 . . . . 206 THR HG21 . 17327 1 1599 . 1 1 189 189 THR HG22 H 1 1.320 0.020 . 1 . . . . 206 THR HG22 . 17327 1 1600 . 1 1 189 189 THR HG23 H 1 1.320 0.020 . 1 . . . . 206 THR HG23 . 17327 1 1601 . 1 1 189 189 THR C C 13 176.050 0.400 . 1 . . . . 206 THR C . 17327 1 1602 . 1 1 189 189 THR CA C 13 65.843 0.400 . 1 . . . . 206 THR CA . 17327 1 1603 . 1 1 189 189 THR CB C 13 69.097 0.400 . 1 . . . . 206 THR CB . 17327 1 1604 . 1 1 189 189 THR CG2 C 13 22.044 0.400 . 1 . . . . 206 THR CG2 . 17327 1 1605 . 1 1 189 189 THR N N 15 111.408 0.400 . 1 . . . . 206 THR N . 17327 1 1606 . 1 1 190 190 GLY H H 1 8.131 0.020 . 1 . . . . 207 GLY H . 17327 1 1607 . 1 1 190 190 GLY C C 13 174.580 0.400 . 1 . . . . 207 GLY C . 17327 1 1608 . 1 1 190 190 GLY CA C 13 46.571 0.400 . 1 . . . . 207 GLY CA . 17327 1 1609 . 1 1 190 190 GLY N N 15 107.635 0.400 . 1 . . . . 207 GLY N . 17327 1 1610 . 1 1 191 191 TYR H H 1 7.612 0.020 . 1 . . . . 208 TYR H . 17327 1 1611 . 1 1 191 191 TYR HA H 1 4.672 0.020 . 1 . . . . 208 TYR HA . 17327 1 1612 . 1 1 191 191 TYR C C 13 176.879 0.400 . 1 . . . . 208 TYR C . 17327 1 1613 . 1 1 191 191 TYR CA C 13 59.334 0.400 . 1 . . . . 208 TYR CA . 17327 1 1614 . 1 1 191 191 TYR CB C 13 42.024 0.400 . 1 . . . . 208 TYR CB . 17327 1 1615 . 1 1 191 191 TYR N N 15 112.784 0.400 . 1 . . . . 208 TYR N . 17327 1 1616 . 1 1 192 192 LEU H H 1 7.789 0.020 . 1 . . . . 209 LEU H . 17327 1 1617 . 1 1 192 192 LEU HA H 1 4.341 0.020 . 1 . . . . 209 LEU HA . 17327 1 1618 . 1 1 192 192 LEU HD11 H 1 -0.379 0.020 . 2 . . . . 209 LEU HD11 . 17327 1 1619 . 1 1 192 192 LEU HD12 H 1 -0.379 0.020 . 2 . . . . 209 LEU HD12 . 17327 1 1620 . 1 1 192 192 LEU HD13 H 1 -0.379 0.020 . 2 . . . . 209 LEU HD13 . 17327 1 1621 . 1 1 192 192 LEU HD21 H 1 -0.001 0.020 . 2 . . . . 209 LEU HD21 . 17327 1 1622 . 1 1 192 192 LEU HD22 H 1 -0.001 0.020 . 2 . . . . 209 LEU HD22 . 17327 1 1623 . 1 1 192 192 LEU HD23 H 1 -0.001 0.020 . 2 . . . . 209 LEU HD23 . 17327 1 1624 . 1 1 192 192 LEU C C 13 176.193 0.400 . 1 . . . . 209 LEU C . 17327 1 1625 . 1 1 192 192 LEU CA C 13 54.366 0.400 . 1 . . . . 209 LEU CA . 17327 1 1626 . 1 1 192 192 LEU CB C 13 40.783 0.400 . 1 . . . . 209 LEU CB . 17327 1 1627 . 1 1 192 192 LEU CD1 C 13 24.543 0.400 . 1 . . . . 209 LEU CD1 . 17327 1 1628 . 1 1 192 192 LEU CD2 C 13 22.087 0.400 . 1 . . . . 209 LEU CD2 . 17327 1 1629 . 1 1 192 192 LEU N N 15 116.417 0.400 . 1 . . . . 209 LEU N . 17327 1 1630 . 1 1 193 193 MET H H 1 7.456 0.020 . 1 . . . . 210 MET H . 17327 1 1631 . 1 1 193 193 MET HA H 1 4.231 0.020 . 1 . . . . 210 MET HA . 17327 1 1632 . 1 1 193 193 MET HB2 H 1 2.027 0.020 . 1 . . . . 210 MET HB2 . 17327 1 1633 . 1 1 193 193 MET HB3 H 1 2.027 0.020 . 1 . . . . 210 MET HB3 . 17327 1 1634 . 1 1 193 193 MET HE1 H 1 2.195 0.020 . 1 . . . . 210 MET HE1 . 17327 1 1635 . 1 1 193 193 MET HE2 H 1 2.195 0.020 . 1 . . . . 210 MET HE2 . 17327 1 1636 . 1 1 193 193 MET HE3 H 1 2.195 0.020 . 1 . . . . 210 MET HE3 . 17327 1 1637 . 1 1 193 193 MET C C 13 177.032 0.400 . 1 . . . . 210 MET C . 17327 1 1638 . 1 1 193 193 MET CA C 13 55.806 0.400 . 1 . . . . 210 MET CA . 17327 1 1639 . 1 1 193 193 MET CB C 13 33.588 0.400 . 1 . . . . 210 MET CB . 17327 1 1640 . 1 1 193 193 MET CE C 13 17.079 0.400 . 1 . . . . 210 MET CE . 17327 1 1641 . 1 1 193 193 MET N N 15 118.152 0.400 . 1 . . . . 210 MET N . 17327 1 1642 . 1 1 194 194 GLY H H 1 8.430 0.020 . 1 . . . . 211 GLY H . 17327 1 1643 . 1 1 194 194 GLY C C 13 174.520 0.400 . 1 . . . . 211 GLY C . 17327 1 1644 . 1 1 194 194 GLY CA C 13 46.197 0.400 . 1 . . . . 211 GLY CA . 17327 1 1645 . 1 1 194 194 GLY N N 15 109.852 0.400 . 1 . . . . 211 GLY N . 17327 1 1646 . 1 1 195 195 ASP H H 1 8.261 0.020 . 1 . . . . 212 ASP H . 17327 1 1647 . 1 1 195 195 ASP HA H 1 4.635 0.020 . 1 . . . . 212 ASP HA . 17327 1 1648 . 1 1 195 195 ASP HB2 H 1 2.746 0.020 . 1 . . . . 212 ASP HB2 . 17327 1 1649 . 1 1 195 195 ASP HB3 H 1 2.746 0.020 . 1 . . . . 212 ASP HB3 . 17327 1 1650 . 1 1 195 195 ASP C C 13 176.474 0.400 . 1 . . . . 212 ASP C . 17327 1 1651 . 1 1 195 195 ASP CA C 13 54.241 0.400 . 1 . . . . 212 ASP CA . 17327 1 1652 . 1 1 195 195 ASP CB C 13 40.691 0.400 . 1 . . . . 212 ASP CB . 17327 1 1653 . 1 1 195 195 ASP N N 15 120.789 0.400 . 1 . . . . 212 ASP N . 17327 1 1654 . 1 1 196 196 GLY H H 1 8.114 0.020 . 1 . . . . 213 GLY H . 17327 1 1655 . 1 1 196 196 GLY C C 13 174.541 0.400 . 1 . . . . 213 GLY C . 17327 1 1656 . 1 1 196 196 GLY CA C 13 45.466 0.400 . 1 . . . . 213 GLY CA . 17327 1 1657 . 1 1 196 196 GLY N N 15 108.736 0.400 . 1 . . . . 213 GLY N . 17327 1 1658 . 1 1 197 197 GLY H H 1 7.915 0.020 . 1 . . . . 214 GLY H . 17327 1 1659 . 1 1 197 197 GLY C C 13 173.818 0.400 . 1 . . . . 214 GLY C . 17327 1 1660 . 1 1 197 197 GLY CA C 13 45.214 0.400 . 1 . . . . 214 GLY CA . 17327 1 1661 . 1 1 197 197 GLY N N 15 108.745 0.400 . 1 . . . . 214 GLY N . 17327 1 1662 . 1 1 198 198 SER H H 1 8.012 0.020 . 1 . . . . 215 SER H . 17327 1 1663 . 1 1 198 198 SER C C 13 174.800 0.400 . 1 . . . . 215 SER C . 17327 1 1664 . 1 1 198 198 SER CA C 13 57.080 0.400 . 1 . . . . 215 SER CA . 17327 1 1665 . 1 1 198 198 SER CB C 13 64.610 0.400 . 1 . . . . 215 SER CB . 17327 1 1666 . 1 1 198 198 SER N N 15 113.545 0.400 . 1 . . . . 215 SER N . 17327 1 1667 . 1 1 199 199 ALA H H 1 8.880 0.020 . 1 . . . . 216 ALA H . 17327 1 1668 . 1 1 199 199 ALA HA H 1 4.190 0.020 . 1 . . . . 216 ALA HA . 17327 1 1669 . 1 1 199 199 ALA HB1 H 1 1.677 0.020 . 1 . . . . 216 ALA HB1 . 17327 1 1670 . 1 1 199 199 ALA HB2 H 1 1.677 0.020 . 1 . . . . 216 ALA HB2 . 17327 1 1671 . 1 1 199 199 ALA HB3 H 1 1.677 0.020 . 1 . . . . 216 ALA HB3 . 17327 1 1672 . 1 1 199 199 ALA C C 13 180.176 0.400 . 1 . . . . 216 ALA C . 17327 1 1673 . 1 1 199 199 ALA CA C 13 54.423 0.400 . 1 . . . . 216 ALA CA . 17327 1 1674 . 1 1 199 199 ALA CB C 13 18.729 0.400 . 1 . . . . 216 ALA CB . 17327 1 1675 . 1 1 199 199 ALA N N 15 129.971 0.400 . 1 . . . . 216 ALA N . 17327 1 1676 . 1 1 200 200 LEU H H 1 8.030 0.020 . 1 . . . . 217 LEU H . 17327 1 1677 . 1 1 200 200 LEU HA H 1 4.093 0.020 . 1 . . . . 217 LEU HA . 17327 1 1678 . 1 1 200 200 LEU C C 13 178.456 0.400 . 1 . . . . 217 LEU C . 17327 1 1679 . 1 1 200 200 LEU CA C 13 58.058 0.400 . 1 . . . . 217 LEU CA . 17327 1 1680 . 1 1 200 200 LEU N N 15 120.143 0.400 . 1 . . . . 217 LEU N . 17327 1 1681 . 1 1 201 201 ASN H H 1 7.625 0.020 . 1 . . . . 218 ASN H . 17327 1 1682 . 1 1 201 201 ASN HA H 1 4.449 0.020 . 1 . . . . 218 ASN HA . 17327 1 1683 . 1 1 201 201 ASN C C 13 176.181 0.400 . 1 . . . . 218 ASN C . 17327 1 1684 . 1 1 201 201 ASN CA C 13 55.241 0.400 . 1 . . . . 218 ASN CA . 17327 1 1685 . 1 1 201 201 ASN CB C 13 38.216 0.400 . 1 . . . . 218 ASN CB . 17327 1 1686 . 1 1 201 201 ASN N N 15 118.674 0.400 . 1 . . . . 218 ASN N . 17327 1 1687 . 1 1 202 202 LEU H H 1 7.636 0.020 . 1 . . . . 219 LEU H . 17327 1 1688 . 1 1 202 202 LEU HA H 1 4.042 0.020 . 1 . . . . 219 LEU HA . 17327 1 1689 . 1 1 202 202 LEU HD11 H 1 0.782 0.020 . 1 . . . . 219 LEU HD11 . 17327 1 1690 . 1 1 202 202 LEU HD12 H 1 0.782 0.020 . 1 . . . . 219 LEU HD12 . 17327 1 1691 . 1 1 202 202 LEU HD13 H 1 0.782 0.020 . 1 . . . . 219 LEU HD13 . 17327 1 1692 . 1 1 202 202 LEU C C 13 179.976 0.400 . 1 . . . . 219 LEU C . 17327 1 1693 . 1 1 202 202 LEU CA C 13 58.290 0.400 . 1 . . . . 219 LEU CA . 17327 1 1694 . 1 1 202 202 LEU CD1 C 13 23.390 0.400 . 1 . . . . 219 LEU CD1 . 17327 1 1695 . 1 1 202 202 LEU N N 15 121.492 0.400 . 1 . . . . 219 LEU N . 17327 1 1696 . 1 1 203 203 ASN H H 1 7.527 0.020 . 1 . . . . 220 ASN H . 17327 1 1697 . 1 1 203 203 ASN HA H 1 3.967 0.020 . 1 . . . . 220 ASN HA . 17327 1 1698 . 1 1 203 203 ASN C C 13 175.983 0.400 . 1 . . . . 220 ASN C . 17327 1 1699 . 1 1 203 203 ASN CA C 13 57.791 0.400 . 1 . . . . 220 ASN CA . 17327 1 1700 . 1 1 203 203 ASN CB C 13 39.830 0.400 . 1 . . . . 220 ASN CB . 17327 1 1701 . 1 1 203 203 ASN N N 15 111.402 0.400 . 1 . . . . 220 ASN N . 17327 1 1702 . 1 1 204 204 LEU H H 1 7.346 0.020 . 1 . . . . 221 LEU H . 17327 1 1703 . 1 1 204 204 LEU HA H 1 4.173 0.020 . 1 . . . . 221 LEU HA . 17327 1 1704 . 1 1 204 204 LEU HG H 1 1.876 0.020 . 1 . . . . 221 LEU HG . 17327 1 1705 . 1 1 204 204 LEU HD11 H 1 1.102 0.020 . 2 . . . . 221 LEU HD11 . 17327 1 1706 . 1 1 204 204 LEU HD12 H 1 1.102 0.020 . 2 . . . . 221 LEU HD12 . 17327 1 1707 . 1 1 204 204 LEU HD13 H 1 1.102 0.020 . 2 . . . . 221 LEU HD13 . 17327 1 1708 . 1 1 204 204 LEU HD21 H 1 1.088 0.020 . 2 . . . . 221 LEU HD21 . 17327 1 1709 . 1 1 204 204 LEU HD22 H 1 1.088 0.020 . 2 . . . . 221 LEU HD22 . 17327 1 1710 . 1 1 204 204 LEU HD23 H 1 1.088 0.020 . 2 . . . . 221 LEU HD23 . 17327 1 1711 . 1 1 204 204 LEU C C 13 177.990 0.400 . 1 . . . . 221 LEU C . 17327 1 1712 . 1 1 204 204 LEU CA C 13 58.597 0.400 . 1 . . . . 221 LEU CA . 17327 1 1713 . 1 1 204 204 LEU CB C 13 42.180 0.400 . 1 . . . . 221 LEU CB . 17327 1 1714 . 1 1 204 204 LEU CG C 13 27.886 0.400 . 1 . . . . 221 LEU CG . 17327 1 1715 . 1 1 204 204 LEU CD1 C 13 25.140 0.400 . 1 . . . . 221 LEU CD1 . 17327 1 1716 . 1 1 204 204 LEU CD2 C 13 24.833 0.400 . 1 . . . . 221 LEU CD2 . 17327 1 1717 . 1 1 204 204 LEU N N 15 119.832 0.400 . 1 . . . . 221 LEU N . 17327 1 1718 . 1 1 205 205 ILE H H 1 7.835 0.020 . 1 . . . . 222 ILE H . 17327 1 1719 . 1 1 205 205 ILE HA H 1 3.397 0.020 . 1 . . . . 222 ILE HA . 17327 1 1720 . 1 1 205 205 ILE HB H 1 1.707 0.020 . 1 . . . . 222 ILE HB . 17327 1 1721 . 1 1 205 205 ILE HG21 H 1 0.778 0.020 . 1 . . . . 222 ILE HG21 . 17327 1 1722 . 1 1 205 205 ILE HG22 H 1 0.778 0.020 . 1 . . . . 222 ILE HG22 . 17327 1 1723 . 1 1 205 205 ILE HG23 H 1 0.778 0.020 . 1 . . . . 222 ILE HG23 . 17327 1 1724 . 1 1 205 205 ILE HD11 H 1 0.805 0.020 . 1 . . . . 222 ILE HD11 . 17327 1 1725 . 1 1 205 205 ILE HD12 H 1 0.805 0.020 . 1 . . . . 222 ILE HD12 . 17327 1 1726 . 1 1 205 205 ILE HD13 H 1 0.805 0.020 . 1 . . . . 222 ILE HD13 . 17327 1 1727 . 1 1 205 205 ILE C C 13 177.889 0.400 . 1 . . . . 222 ILE C . 17327 1 1728 . 1 1 205 205 ILE CA C 13 66.288 0.400 . 1 . . . . 222 ILE CA . 17327 1 1729 . 1 1 205 205 ILE CB C 13 37.182 0.400 . 1 . . . . 222 ILE CB . 17327 1 1730 . 1 1 205 205 ILE CG2 C 13 19.170 0.400 . 1 . . . . 222 ILE CG2 . 17327 1 1731 . 1 1 205 205 ILE CD1 C 13 13.745 0.400 . 1 . . . . 222 ILE CD1 . 17327 1 1732 . 1 1 205 205 ILE N N 15 117.293 0.400 . 1 . . . . 222 ILE N . 17327 1 1733 . 1 1 206 206 TYR H H 1 8.573 0.020 . 1 . . . . 223 TYR H . 17327 1 1734 . 1 1 206 206 TYR HA H 1 4.537 0.020 . 1 . . . . 223 TYR HA . 17327 1 1735 . 1 1 206 206 TYR HB2 H 1 3.132 0.020 . 1 . . . . 223 TYR HB2 . 17327 1 1736 . 1 1 206 206 TYR HB3 H 1 3.132 0.020 . 1 . . . . 223 TYR HB3 . 17327 1 1737 . 1 1 206 206 TYR C C 13 178.222 0.400 . 1 . . . . 223 TYR C . 17327 1 1738 . 1 1 206 206 TYR CA C 13 57.603 0.400 . 1 . . . . 223 TYR CA . 17327 1 1739 . 1 1 206 206 TYR CB C 13 35.895 0.400 . 1 . . . . 223 TYR CB . 17327 1 1740 . 1 1 206 206 TYR N N 15 118.893 0.400 . 1 . . . . 223 TYR N . 17327 1 1741 . 1 1 207 207 ASN H H 1 8.125 0.020 . 1 . . . . 224 ASN H . 17327 1 1742 . 1 1 207 207 ASN HA H 1 5.272 0.020 . 1 . . . . 224 ASN HA . 17327 1 1743 . 1 1 207 207 ASN C C 13 177.987 0.400 . 1 . . . . 224 ASN C . 17327 1 1744 . 1 1 207 207 ASN CA C 13 55.105 0.400 . 1 . . . . 224 ASN CA . 17327 1 1745 . 1 1 207 207 ASN CB C 13 36.031 0.400 . 1 . . . . 224 ASN CB . 17327 1 1746 . 1 1 207 207 ASN N N 15 119.216 0.400 . 1 . . . . 224 ASN N . 17327 1 1747 . 1 1 208 208 LEU H H 1 8.174 0.020 . 1 . . . . 225 LEU H . 17327 1 1748 . 1 1 208 208 LEU HA H 1 4.001 0.020 . 1 . . . . 225 LEU HA . 17327 1 1749 . 1 1 208 208 LEU HG H 1 1.828 0.020 . 1 . . . . 225 LEU HG . 17327 1 1750 . 1 1 208 208 LEU HD11 H 1 0.727 0.020 . 2 . . . . 225 LEU HD11 . 17327 1 1751 . 1 1 208 208 LEU HD12 H 1 0.727 0.020 . 2 . . . . 225 LEU HD12 . 17327 1 1752 . 1 1 208 208 LEU HD13 H 1 0.727 0.020 . 2 . . . . 225 LEU HD13 . 17327 1 1753 . 1 1 208 208 LEU HD21 H 1 0.798 0.020 . 2 . . . . 225 LEU HD21 . 17327 1 1754 . 1 1 208 208 LEU HD22 H 1 0.798 0.020 . 2 . . . . 225 LEU HD22 . 17327 1 1755 . 1 1 208 208 LEU HD23 H 1 0.798 0.020 . 2 . . . . 225 LEU HD23 . 17327 1 1756 . 1 1 208 208 LEU C C 13 178.920 0.400 . 1 . . . . 225 LEU C . 17327 1 1757 . 1 1 208 208 LEU CA C 13 58.042 0.400 . 1 . . . . 225 LEU CA . 17327 1 1758 . 1 1 208 208 LEU CB C 13 41.650 0.400 . 1 . . . . 225 LEU CB . 17327 1 1759 . 1 1 208 208 LEU CG C 13 27.044 0.400 . 1 . . . . 225 LEU CG . 17327 1 1760 . 1 1 208 208 LEU CD1 C 13 23.418 0.400 . 1 . . . . 225 LEU CD1 . 17327 1 1761 . 1 1 208 208 LEU CD2 C 13 24.863 0.400 . 1 . . . . 225 LEU CD2 . 17327 1 1762 . 1 1 208 208 LEU N N 15 119.975 0.400 . 1 . . . . 225 LEU N . 17327 1 1763 . 1 1 209 209 ALA H H 1 8.993 0.020 . 1 . . . . 226 ALA H . 17327 1 1764 . 1 1 209 209 ALA HA H 1 3.631 0.020 . 1 . . . . 226 ALA HA . 17327 1 1765 . 1 1 209 209 ALA HB1 H 1 0.621 0.020 . 1 . . . . 226 ALA HB1 . 17327 1 1766 . 1 1 209 209 ALA HB2 H 1 0.621 0.020 . 1 . . . . 226 ALA HB2 . 17327 1 1767 . 1 1 209 209 ALA HB3 H 1 0.621 0.020 . 1 . . . . 226 ALA HB3 . 17327 1 1768 . 1 1 209 209 ALA C C 13 180.518 0.400 . 1 . . . . 226 ALA C . 17327 1 1769 . 1 1 209 209 ALA CA C 13 55.547 0.400 . 1 . . . . 226 ALA CA . 17327 1 1770 . 1 1 209 209 ALA CB C 13 17.452 0.400 . 1 . . . . 226 ALA CB . 17327 1 1771 . 1 1 209 209 ALA N N 15 121.893 0.400 . 1 . . . . 226 ALA N . 17327 1 1772 . 1 1 210 210 ASP H H 1 8.437 0.020 . 1 . . . . 227 ASP H . 17327 1 1773 . 1 1 210 210 ASP HA H 1 4.444 0.020 . 1 . . . . 227 ASP HA . 17327 1 1774 . 1 1 210 210 ASP C C 13 179.116 0.400 . 1 . . . . 227 ASP C . 17327 1 1775 . 1 1 210 210 ASP CA C 13 57.847 0.400 . 1 . . . . 227 ASP CA . 17327 1 1776 . 1 1 210 210 ASP CB C 13 39.544 0.400 . 1 . . . . 227 ASP CB . 17327 1 1777 . 1 1 210 210 ASP N N 15 120.086 0.400 . 1 . . . . 227 ASP N . 17327 1 1778 . 1 1 211 211 PHE H H 1 8.206 0.020 . 1 . . . . 228 PHE H . 17327 1 1779 . 1 1 211 211 PHE CA C 13 62.060 0.400 . 1 . . . . 228 PHE CA . 17327 1 1780 . 1 1 211 211 PHE N N 15 121.321 0.400 . 1 . . . . 228 PHE N . 17327 1 1781 . 1 1 212 212 VAL HA H 1 3.476 0.020 . 1 . . . . 229 VAL HA . 17327 1 1782 . 1 1 212 212 VAL HG11 H 1 0.903 0.020 . 2 . . . . 229 VAL HG11 . 17327 1 1783 . 1 1 212 212 VAL HG12 H 1 0.903 0.020 . 2 . . . . 229 VAL HG12 . 17327 1 1784 . 1 1 212 212 VAL HG13 H 1 0.903 0.020 . 2 . . . . 229 VAL HG13 . 17327 1 1785 . 1 1 212 212 VAL HG21 H 1 1.098 0.020 . 2 . . . . 229 VAL HG21 . 17327 1 1786 . 1 1 212 212 VAL HG22 H 1 1.098 0.020 . 2 . . . . 229 VAL HG22 . 17327 1 1787 . 1 1 212 212 VAL HG23 H 1 1.098 0.020 . 2 . . . . 229 VAL HG23 . 17327 1 1788 . 1 1 212 212 VAL C C 13 176.486 0.400 . 1 . . . . 229 VAL C . 17327 1 1789 . 1 1 212 212 VAL CA C 13 66.874 0.400 . 1 . . . . 229 VAL CA . 17327 1 1790 . 1 1 212 212 VAL CB C 13 32.468 0.400 . 1 . . . . 229 VAL CB . 17327 1 1791 . 1 1 212 212 VAL CG1 C 13 21.159 0.400 . 1 . . . . 229 VAL CG1 . 17327 1 1792 . 1 1 212 212 VAL CG2 C 13 22.556 0.400 . 1 . . . . 229 VAL CG2 . 17327 1 1793 . 1 1 213 213 ASN H H 1 8.800 0.020 . 1 . . . . 230 ASN H . 17327 1 1794 . 1 1 213 213 ASN HA H 1 4.587 0.020 . 1 . . . . 230 ASN HA . 17327 1 1795 . 1 1 213 213 ASN HB2 H 1 2.732 0.020 . 1 . . . . 230 ASN HB2 . 17327 1 1796 . 1 1 213 213 ASN HB3 H 1 2.732 0.020 . 1 . . . . 230 ASN HB3 . 17327 1 1797 . 1 1 213 213 ASN C C 13 175.827 0.400 . 1 . . . . 230 ASN C . 17327 1 1798 . 1 1 213 213 ASN CA C 13 57.444 0.400 . 1 . . . . 230 ASN CA . 17327 1 1799 . 1 1 213 213 ASN CB C 13 40.177 0.400 . 1 . . . . 230 ASN CB . 17327 1 1800 . 1 1 213 213 ASN N N 15 113.621 0.400 . 1 . . . . 230 ASN N . 17327 1 1801 . 1 1 214 214 LYR H H 1 8.335 0.020 . 1 . . . . 231 LYR H . 17327 1 1802 . 1 1 214 214 LYR HA H 1 4.815 0.020 . 1 . . . . 231 LYR HA . 17327 1 1803 . 1 1 214 214 LYR C C 13 177.081 0.400 . 1 . . . . 231 LYR C . 17327 1 1804 . 1 1 214 214 LYR CA C 13 58.884 0.400 . 1 . . . . 231 LYR CA . 17327 1 1805 . 1 1 214 214 LYR CB C 13 34.757 0.400 . 1 . . . . 231 LYR CB . 17327 1 1806 . 1 1 214 214 LYR N N 15 113.027 0.400 . 1 . . . . 231 LYR N . 17327 1 1807 . 1 1 215 215 ILE H H 1 7.190 0.020 . 1 . . . . 232 ILE H . 17327 1 1808 . 1 1 215 215 ILE HA H 1 4.025 0.020 . 1 . . . . 232 ILE HA . 17327 1 1809 . 1 1 215 215 ILE HG21 H 1 0.620 0.020 . 1 . . . . 232 ILE HG21 . 17327 1 1810 . 1 1 215 215 ILE HG22 H 1 0.620 0.020 . 1 . . . . 232 ILE HG22 . 17327 1 1811 . 1 1 215 215 ILE HG23 H 1 0.620 0.020 . 1 . . . . 232 ILE HG23 . 17327 1 1812 . 1 1 215 215 ILE HD11 H 1 0.676 0.020 . 1 . . . . 232 ILE HD11 . 17327 1 1813 . 1 1 215 215 ILE HD12 H 1 0.676 0.020 . 1 . . . . 232 ILE HD12 . 17327 1 1814 . 1 1 215 215 ILE HD13 H 1 0.676 0.020 . 1 . . . . 232 ILE HD13 . 17327 1 1815 . 1 1 215 215 ILE C C 13 176.764 0.400 . 1 . . . . 232 ILE C . 17327 1 1816 . 1 1 215 215 ILE CA C 13 65.357 0.400 . 1 . . . . 232 ILE CA . 17327 1 1817 . 1 1 215 215 ILE CB C 13 36.868 0.400 . 1 . . . . 232 ILE CB . 17327 1 1818 . 1 1 215 215 ILE CG2 C 13 16.421 0.400 . 1 . . . . 232 ILE CG2 . 17327 1 1819 . 1 1 215 215 ILE CD1 C 13 14.331 0.400 . 1 . . . . 232 ILE CD1 . 17327 1 1820 . 1 1 215 215 ILE N N 15 117.249 0.400 . 1 . . . . 232 ILE N . 17327 1 1821 . 1 1 216 216 LEU H H 1 8.059 0.020 . 1 . . . . 233 LEU H . 17327 1 1822 . 1 1 216 216 LEU HA H 1 4.028 0.020 . 1 . . . . 233 LEU HA . 17327 1 1823 . 1 1 216 216 LEU HG H 1 1.661 0.020 . 1 . . . . 233 LEU HG . 17327 1 1824 . 1 1 216 216 LEU HD11 H 1 0.952 0.020 . 2 . . . . 233 LEU HD11 . 17327 1 1825 . 1 1 216 216 LEU HD12 H 1 0.952 0.020 . 2 . . . . 233 LEU HD12 . 17327 1 1826 . 1 1 216 216 LEU HD13 H 1 0.952 0.020 . 2 . . . . 233 LEU HD13 . 17327 1 1827 . 1 1 216 216 LEU HD21 H 1 0.837 0.020 . 2 . . . . 233 LEU HD21 . 17327 1 1828 . 1 1 216 216 LEU HD22 H 1 0.837 0.020 . 2 . . . . 233 LEU HD22 . 17327 1 1829 . 1 1 216 216 LEU HD23 H 1 0.837 0.020 . 2 . . . . 233 LEU HD23 . 17327 1 1830 . 1 1 216 216 LEU C C 13 178.864 0.400 . 1 . . . . 233 LEU C . 17327 1 1831 . 1 1 216 216 LEU CA C 13 58.934 0.400 . 1 . . . . 233 LEU CA . 17327 1 1832 . 1 1 216 216 LEU CG C 13 26.957 0.400 . 1 . . . . 233 LEU CG . 17327 1 1833 . 1 1 216 216 LEU CD1 C 13 25.182 0.400 . 1 . . . . 233 LEU CD1 . 17327 1 1834 . 1 1 216 216 LEU CD2 C 13 23.588 0.400 . 1 . . . . 233 LEU CD2 . 17327 1 1835 . 1 1 216 216 LEU N N 15 117.560 0.400 . 1 . . . . 233 LEU N . 17327 1 1836 . 1 1 217 217 PHE H H 1 7.506 0.020 . 1 . . . . 234 PHE H . 17327 1 1837 . 1 1 217 217 PHE HA H 1 4.303 0.020 . 1 . . . . 234 PHE HA . 17327 1 1838 . 1 1 217 217 PHE C C 13 176.483 0.400 . 1 . . . . 234 PHE C . 17327 1 1839 . 1 1 217 217 PHE CA C 13 61.111 0.400 . 1 . . . . 234 PHE CA . 17327 1 1840 . 1 1 217 217 PHE CB C 13 39.487 0.400 . 1 . . . . 234 PHE CB . 17327 1 1841 . 1 1 217 217 PHE N N 15 115.037 0.400 . 1 . . . . 234 PHE N . 17327 1 1842 . 1 1 218 218 GLY H H 1 7.025 0.020 . 1 . . . . 235 GLY H . 17327 1 1843 . 1 1 218 218 GLY C C 13 175.890 0.400 . 1 . . . . 235 GLY C . 17327 1 1844 . 1 1 218 218 GLY CA C 13 47.615 0.400 . 1 . . . . 235 GLY CA . 17327 1 1845 . 1 1 218 218 GLY N N 15 102.928 0.400 . 1 . . . . 235 GLY N . 17327 1 1846 . 1 1 219 219 LEU H H 1 8.390 0.020 . 1 . . . . 236 LEU H . 17327 1 1847 . 1 1 219 219 LEU HA H 1 4.645 0.020 . 1 . . . . 236 LEU HA . 17327 1 1848 . 1 1 219 219 LEU C C 13 179.261 0.400 . 1 . . . . 236 LEU C . 17327 1 1849 . 1 1 219 219 LEU CA C 13 58.182 0.400 . 1 . . . . 236 LEU CA . 17327 1 1850 . 1 1 219 219 LEU CB C 13 42.200 0.400 . 1 . . . . 236 LEU CB . 17327 1 1851 . 1 1 219 219 LEU N N 15 121.323 0.400 . 1 . . . . 236 LEU N . 17327 1 1852 . 1 1 220 220 ILE H H 1 8.178 0.020 . 1 . . . . 237 ILE H . 17327 1 1853 . 1 1 220 220 ILE HA H 1 3.779 0.020 . 1 . . . . 237 ILE HA . 17327 1 1854 . 1 1 220 220 ILE HB H 1 2.175 0.020 . 1 . . . . 237 ILE HB . 17327 1 1855 . 1 1 220 220 ILE HG21 H 1 0.925 0.020 . 1 . . . . 237 ILE HG21 . 17327 1 1856 . 1 1 220 220 ILE HG22 H 1 0.925 0.020 . 1 . . . . 237 ILE HG22 . 17327 1 1857 . 1 1 220 220 ILE HG23 H 1 0.925 0.020 . 1 . . . . 237 ILE HG23 . 17327 1 1858 . 1 1 220 220 ILE HD11 H 1 0.886 0.020 . 1 . . . . 237 ILE HD11 . 17327 1 1859 . 1 1 220 220 ILE HD12 H 1 0.886 0.020 . 1 . . . . 237 ILE HD12 . 17327 1 1860 . 1 1 220 220 ILE HD13 H 1 0.886 0.020 . 1 . . . . 237 ILE HD13 . 17327 1 1861 . 1 1 220 220 ILE C C 13 177.673 0.400 . 1 . . . . 237 ILE C . 17327 1 1862 . 1 1 220 220 ILE CA C 13 65.710 0.400 . 1 . . . . 237 ILE CA . 17327 1 1863 . 1 1 220 220 ILE CB C 13 37.317 0.400 . 1 . . . . 237 ILE CB . 17327 1 1864 . 1 1 220 220 ILE CG2 C 13 17.419 0.400 . 1 . . . . 237 ILE CG2 . 17327 1 1865 . 1 1 220 220 ILE CD1 C 13 13.718 0.400 . 1 . . . . 237 ILE CD1 . 17327 1 1866 . 1 1 220 220 ILE N N 15 121.352 0.400 . 1 . . . . 237 ILE N . 17327 1 1867 . 1 1 221 221 ILE H H 1 7.380 0.020 . 1 . . . . 238 ILE H . 17327 1 1868 . 1 1 221 221 ILE HA H 1 3.487 0.020 . 1 . . . . 238 ILE HA . 17327 1 1869 . 1 1 221 221 ILE HB H 1 2.007 0.020 . 1 . . . . 238 ILE HB . 17327 1 1870 . 1 1 221 221 ILE HG21 H 1 0.856 0.020 . 1 . . . . 238 ILE HG21 . 17327 1 1871 . 1 1 221 221 ILE HG22 H 1 0.856 0.020 . 1 . . . . 238 ILE HG22 . 17327 1 1872 . 1 1 221 221 ILE HG23 H 1 0.856 0.020 . 1 . . . . 238 ILE HG23 . 17327 1 1873 . 1 1 221 221 ILE HD11 H 1 0.593 0.020 . 1 . . . . 238 ILE HD11 . 17327 1 1874 . 1 1 221 221 ILE HD12 H 1 0.593 0.020 . 1 . . . . 238 ILE HD12 . 17327 1 1875 . 1 1 221 221 ILE HD13 H 1 0.593 0.020 . 1 . . . . 238 ILE HD13 . 17327 1 1876 . 1 1 221 221 ILE C C 13 177.137 0.400 . 1 . . . . 238 ILE C . 17327 1 1877 . 1 1 221 221 ILE CA C 13 64.076 0.400 . 1 . . . . 238 ILE CA . 17327 1 1878 . 1 1 221 221 ILE CB C 13 36.308 0.400 . 1 . . . . 238 ILE CB . 17327 1 1879 . 1 1 221 221 ILE CG2 C 13 17.391 0.400 . 1 . . . . 238 ILE CG2 . 17327 1 1880 . 1 1 221 221 ILE CD1 C 13 11.408 0.400 . 1 . . . . 238 ILE CD1 . 17327 1 1881 . 1 1 221 221 ILE N N 15 119.655 0.400 . 1 . . . . 238 ILE N . 17327 1 1882 . 1 1 222 222 TRP H H 1 8.462 0.020 . 1 . . . . 239 TRP H . 17327 1 1883 . 1 1 222 222 TRP HA H 1 3.974 0.020 . 1 . . . . 239 TRP HA . 17327 1 1884 . 1 1 222 222 TRP HB2 H 1 3.404 0.020 . 1 . . . . 239 TRP HB2 . 17327 1 1885 . 1 1 222 222 TRP HB3 H 1 3.404 0.020 . 1 . . . . 239 TRP HB3 . 17327 1 1886 . 1 1 222 222 TRP HD1 H 1 6.856 0.020 . 1 . . . . 239 TRP HD1 . 17327 1 1887 . 1 1 222 222 TRP HE3 H 1 7.936 0.020 . 1 . . . . 239 TRP HE3 . 17327 1 1888 . 1 1 222 222 TRP HZ2 H 1 7.560 0.020 . 1 . . . . 239 TRP HZ2 . 17327 1 1889 . 1 1 222 222 TRP HZ3 H 1 7.018 0.020 . 1 . . . . 239 TRP HZ3 . 17327 1 1890 . 1 1 222 222 TRP HH2 H 1 7.186 0.020 . 1 . . . . 239 TRP HH2 . 17327 1 1891 . 1 1 222 222 TRP C C 13 175.543 0.400 . 1 . . . . 239 TRP C . 17327 1 1892 . 1 1 222 222 TRP CA C 13 62.486 0.400 . 1 . . . . 239 TRP CA . 17327 1 1893 . 1 1 222 222 TRP CB C 13 28.193 0.400 . 1 . . . . 239 TRP CB . 17327 1 1894 . 1 1 222 222 TRP CD1 C 13 124.397 0.400 . 1 . . . . 239 TRP CD1 . 17327 1 1895 . 1 1 222 222 TRP CE3 C 13 120.827 0.400 . 1 . . . . 239 TRP CE3 . 17327 1 1896 . 1 1 222 222 TRP CZ2 C 13 114.681 0.400 . 1 . . . . 239 TRP CZ2 . 17327 1 1897 . 1 1 222 222 TRP CZ3 C 13 121.201 0.400 . 1 . . . . 239 TRP CZ3 . 17327 1 1898 . 1 1 222 222 TRP CH2 C 13 124.112 0.400 . 1 . . . . 239 TRP CH2 . 17327 1 1899 . 1 1 222 222 TRP N N 15 119.293 0.400 . 1 . . . . 239 TRP N . 17327 1 1900 . 1 1 222 222 TRP NE1 N 15 132.100 0.400 . 1 . . . . 239 TRP NE1 . 17327 1 1901 . 1 1 223 223 ASN H H 1 8.319 0.020 . 1 . . . . 240 ASN H . 17327 1 1902 . 1 1 223 223 ASN HA H 1 3.480 0.020 . 1 . . . . 240 ASN HA . 17327 1 1903 . 1 1 223 223 ASN HB2 H 1 2.801 0.020 . 1 . . . . 240 ASN HB2 . 17327 1 1904 . 1 1 223 223 ASN HB3 H 1 2.801 0.020 . 1 . . . . 240 ASN HB3 . 17327 1 1905 . 1 1 223 223 ASN C C 13 177.119 0.400 . 1 . . . . 240 ASN C . 17327 1 1906 . 1 1 223 223 ASN CA C 13 57.003 0.400 . 1 . . . . 240 ASN CA . 17327 1 1907 . 1 1 223 223 ASN CB C 13 40.294 0.400 . 1 . . . . 240 ASN CB . 17327 1 1908 . 1 1 223 223 ASN N N 15 116.114 0.400 . 1 . . . . 240 ASN N . 17327 1 1909 . 1 1 224 224 VAL H H 1 7.694 0.020 . 1 . . . . 241 VAL H . 17327 1 1910 . 1 1 224 224 VAL HA H 1 3.448 0.020 . 1 . . . . 241 VAL HA . 17327 1 1911 . 1 1 224 224 VAL HB H 1 1.875 0.020 . 1 . . . . 241 VAL HB . 17327 1 1912 . 1 1 224 224 VAL HG11 H 1 0.714 0.020 . 2 . . . . 241 VAL HG11 . 17327 1 1913 . 1 1 224 224 VAL HG12 H 1 0.714 0.020 . 2 . . . . 241 VAL HG12 . 17327 1 1914 . 1 1 224 224 VAL HG13 H 1 0.714 0.020 . 2 . . . . 241 VAL HG13 . 17327 1 1915 . 1 1 224 224 VAL HG21 H 1 0.892 0.020 . 2 . . . . 241 VAL HG21 . 17327 1 1916 . 1 1 224 224 VAL HG22 H 1 0.892 0.020 . 2 . . . . 241 VAL HG22 . 17327 1 1917 . 1 1 224 224 VAL HG23 H 1 0.892 0.020 . 2 . . . . 241 VAL HG23 . 17327 1 1918 . 1 1 224 224 VAL C C 13 176.586 0.400 . 1 . . . . 241 VAL C . 17327 1 1919 . 1 1 224 224 VAL CA C 13 65.763 0.400 . 1 . . . . 241 VAL CA . 17327 1 1920 . 1 1 224 224 VAL CB C 13 31.267 0.400 . 1 . . . . 241 VAL CB . 17327 1 1921 . 1 1 224 224 VAL CG1 C 13 21.516 0.400 . 1 . . . . 241 VAL CG1 . 17327 1 1922 . 1 1 224 224 VAL CG2 C 13 22.948 0.400 . 1 . . . . 241 VAL CG2 . 17327 1 1923 . 1 1 224 224 VAL N N 15 117.405 0.400 . 1 . . . . 241 VAL N . 17327 1 1924 . 1 1 225 225 ALA H H 1 7.723 0.020 . 1 . . . . 242 ALA H . 17327 1 1925 . 1 1 225 225 ALA HA H 1 2.396 0.020 . 1 . . . . 242 ALA HA . 17327 1 1926 . 1 1 225 225 ALA HB1 H 1 0.918 0.020 . 1 . . . . 242 ALA HB1 . 17327 1 1927 . 1 1 225 225 ALA HB2 H 1 0.918 0.020 . 1 . . . . 242 ALA HB2 . 17327 1 1928 . 1 1 225 225 ALA HB3 H 1 0.918 0.020 . 1 . . . . 242 ALA HB3 . 17327 1 1929 . 1 1 225 225 ALA C C 13 180.812 0.400 . 1 . . . . 242 ALA C . 17327 1 1930 . 1 1 225 225 ALA CA C 13 54.504 0.400 . 1 . . . . 242 ALA CA . 17327 1 1931 . 1 1 225 225 ALA CB C 13 18.898 0.400 . 1 . . . . 242 ALA CB . 17327 1 1932 . 1 1 225 225 ALA N N 15 122.805 0.400 . 1 . . . . 242 ALA N . 17327 1 1933 . 1 1 226 226 VAL H H 1 8.092 0.020 . 1 . . . . 243 VAL H . 17327 1 1934 . 1 1 226 226 VAL HA H 1 3.480 0.020 . 1 . . . . 243 VAL HA . 17327 1 1935 . 1 1 226 226 VAL HB H 1 1.479 0.020 . 1 . . . . 243 VAL HB . 17327 1 1936 . 1 1 226 226 VAL HG11 H 1 0.510 0.020 . 2 . . . . 243 VAL HG11 . 17327 1 1937 . 1 1 226 226 VAL HG12 H 1 0.510 0.020 . 2 . . . . 243 VAL HG12 . 17327 1 1938 . 1 1 226 226 VAL HG13 H 1 0.510 0.020 . 2 . . . . 243 VAL HG13 . 17327 1 1939 . 1 1 226 226 VAL HG21 H 1 0.327 0.020 . 2 . . . . 243 VAL HG21 . 17327 1 1940 . 1 1 226 226 VAL HG22 H 1 0.327 0.020 . 2 . . . . 243 VAL HG22 . 17327 1 1941 . 1 1 226 226 VAL HG23 H 1 0.327 0.020 . 2 . . . . 243 VAL HG23 . 17327 1 1942 . 1 1 226 226 VAL C C 13 178.791 0.400 . 1 . . . . 243 VAL C . 17327 1 1943 . 1 1 226 226 VAL CA C 13 65.632 0.400 . 1 . . . . 243 VAL CA . 17327 1 1944 . 1 1 226 226 VAL CB C 13 31.530 0.400 . 1 . . . . 243 VAL CB . 17327 1 1945 . 1 1 226 226 VAL CG1 C 13 20.978 0.400 . 1 . . . . 243 VAL CG1 . 17327 1 1946 . 1 1 226 226 VAL CG2 C 13 21.226 0.400 . 1 . . . . 243 VAL CG2 . 17327 1 1947 . 1 1 226 226 VAL N N 15 117.443 0.400 . 1 . . . . 243 VAL N . 17327 1 1948 . 1 1 227 227 LYS H H 1 7.510 0.020 . 1 . . . . 244 LYS H . 17327 1 1949 . 1 1 227 227 LYS HA H 1 3.991 0.020 . 1 . . . . 244 LYS HA . 17327 1 1950 . 1 1 227 227 LYS C C 13 178.882 0.400 . 1 . . . . 244 LYS C . 17327 1 1951 . 1 1 227 227 LYS CA C 13 58.695 0.400 . 1 . . . . 244 LYS CA . 17327 1 1952 . 1 1 227 227 LYS CB C 13 32.243 0.400 . 1 . . . . 244 LYS CB . 17327 1 1953 . 1 1 227 227 LYS N N 15 121.587 0.400 . 1 . . . . 244 LYS N . 17327 1 1954 . 1 1 228 228 GLU H H 1 7.974 0.020 . 1 . . . . 245 GLU H . 17327 1 1955 . 1 1 228 228 GLU HA H 1 4.203 0.020 . 1 . . . . 245 GLU HA . 17327 1 1956 . 1 1 228 228 GLU HB2 H 1 2.322 0.020 . 1 . . . . 245 GLU HB2 . 17327 1 1957 . 1 1 228 228 GLU HB3 H 1 2.322 0.020 . 1 . . . . 245 GLU HB3 . 17327 1 1958 . 1 1 228 228 GLU C C 13 178.103 0.400 . 1 . . . . 245 GLU C . 17327 1 1959 . 1 1 228 228 GLU CA C 13 58.301 0.400 . 1 . . . . 245 GLU CA . 17327 1 1960 . 1 1 228 228 GLU CB C 13 29.875 0.400 . 1 . . . . 245 GLU CB . 17327 1 1961 . 1 1 228 228 GLU N N 15 118.255 0.400 . 1 . . . . 245 GLU N . 17327 1 1962 . 1 1 229 229 SER H H 1 7.731 0.020 . 1 . . . . 246 SER H . 17327 1 1963 . 1 1 229 229 SER HA H 1 4.598 0.020 . 1 . . . . 246 SER HA . 17327 1 1964 . 1 1 229 229 SER HB2 H 1 4.071 0.020 . 1 . . . . 246 SER HB2 . 17327 1 1965 . 1 1 229 229 SER HB3 H 1 4.071 0.020 . 1 . . . . 246 SER HB3 . 17327 1 1966 . 1 1 229 229 SER C C 13 174.525 0.400 . 1 . . . . 246 SER C . 17327 1 1967 . 1 1 229 229 SER CA C 13 60.102 0.400 . 1 . . . . 246 SER CA . 17327 1 1968 . 1 1 229 229 SER CB C 13 63.879 0.400 . 1 . . . . 246 SER CB . 17327 1 1969 . 1 1 229 229 SER N N 15 114.506 0.400 . 1 . . . . 246 SER N . 17327 1 1970 . 1 1 230 230 SER H H 1 7.809 0.020 . 1 . . . . 247 SER H . 17327 1 1971 . 1 1 230 230 SER HA H 1 4.475 0.020 . 1 . . . . 247 SER HA . 17327 1 1972 . 1 1 230 230 SER HB2 H 1 3.929 0.020 . 1 . . . . 247 SER HB2 . 17327 1 1973 . 1 1 230 230 SER HB3 H 1 3.929 0.020 . 1 . . . . 247 SER HB3 . 17327 1 1974 . 1 1 230 230 SER C C 13 174.176 0.400 . 1 . . . . 247 SER C . 17327 1 1975 . 1 1 230 230 SER CA C 13 59.040 0.400 . 1 . . . . 247 SER CA . 17327 1 1976 . 1 1 230 230 SER CB C 13 63.962 0.400 . 1 . . . . 247 SER CB . 17327 1 1977 . 1 1 230 230 SER N N 15 115.988 0.400 . 1 . . . . 247 SER N . 17327 1 1978 . 1 1 231 231 ASN H H 1 8.074 0.020 . 1 . . . . 248 ASN H . 17327 1 1979 . 1 1 231 231 ASN HA H 1 4.777 0.020 . 1 . . . . 248 ASN HA . 17327 1 1980 . 1 1 231 231 ASN HB2 H 1 2.827 0.020 . 1 . . . . 248 ASN HB2 . 17327 1 1981 . 1 1 231 231 ASN HB3 H 1 2.827 0.020 . 1 . . . . 248 ASN HB3 . 17327 1 1982 . 1 1 231 231 ASN C C 13 174.478 0.400 . 1 . . . . 248 ASN C . 17327 1 1983 . 1 1 231 231 ASN CA C 13 53.239 0.400 . 1 . . . . 248 ASN CA . 17327 1 1984 . 1 1 231 231 ASN CB C 13 39.232 0.400 . 1 . . . . 248 ASN CB . 17327 1 1985 . 1 1 231 231 ASN N N 15 120.156 0.400 . 1 . . . . 248 ASN N . 17327 1 1986 . 1 1 232 232 ALA H H 1 7.990 0.020 . 1 . . . . 249 ALA H . 17327 1 1987 . 1 1 232 232 ALA HA H 1 4.650 0.020 . 1 . . . . 249 ALA HA . 17327 1 1988 . 1 1 232 232 ALA HB1 H 1 1.400 0.020 . 1 . . . . 249 ALA HB1 . 17327 1 1989 . 1 1 232 232 ALA HB2 H 1 1.400 0.020 . 1 . . . . 249 ALA HB2 . 17327 1 1990 . 1 1 232 232 ALA HB3 H 1 1.400 0.020 . 1 . . . . 249 ALA HB3 . 17327 1 1991 . 1 1 232 232 ALA C C 13 175.574 0.400 . 1 . . . . 249 ALA C . 17327 1 1992 . 1 1 232 232 ALA CA C 13 50.705 0.400 . 1 . . . . 249 ALA CA . 17327 1 1993 . 1 1 232 232 ALA CB C 13 18.427 0.400 . 1 . . . . 249 ALA CB . 17327 1 1994 . 1 1 232 232 ALA N N 15 125.013 0.400 . 1 . . . . 249 ALA N . 17327 1 1995 . 1 1 233 233 PRO HA H 1 4.333 0.020 . 1 . . . . 250 PRO HA . 17327 1 1996 . 1 1 233 233 PRO C C 13 176.271 0.400 . 1 . . . . 250 PRO C . 17327 1 1997 . 1 1 233 233 PRO CA C 13 57.615 0.400 . 1 . . . . 250 PRO CA . 17327 1 1998 . 1 1 234 234 GLY H H 1 8.391 0.020 . 1 . . . . 251 GLY H . 17327 1 1999 . 1 1 234 234 GLY C C 13 174.974 0.400 . 1 . . . . 251 GLY C . 17327 1 2000 . 1 1 234 234 GLY CA C 13 45.500 0.400 . 1 . . . . 251 GLY CA . 17327 1 2001 . 1 1 234 234 GLY N N 15 109.022 0.400 . 1 . . . . 251 GLY N . 17327 1 2002 . 1 1 235 235 GLY H H 1 8.226 0.020 . 1 . . . . 252 GLY H . 17327 1 2003 . 1 1 235 235 GLY CA C 13 45.505 0.400 . 1 . . . . 252 GLY CA . 17327 1 2004 . 1 1 235 235 GLY N N 15 108.509 0.400 . 1 . . . . 252 GLY N . 17327 1 stop_ save_