data_17064 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17064 _Entry.Title ; 13C, and 15N Chemical Shift Assignments for Anabaena sensory rhodopsin 1-229 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-16 _Entry.Accession_date 2010-07-16 _Entry.Last_release_date 2011-01-19 _Entry.Original_release_date 2011-01-19 _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 SOLID-STATE _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 Lichi Shi . . . 17064 2 Izuru Kawamura . . . 17064 3 Kwang-Hwang Jung . . . 17064 4 Leonid Brown . . . 17064 5 Vladimir Ladizhansky . . . 17064 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Guelph, Guelph, Ontario, Canada' . 17064 2 . 'Yokohama National University, Hodogaya ku, Yokohama, Japan' . 17064 3 . 'Sogang University, Shinsu-Dong, Mapo-Gu, Korea' . 17064 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17064 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 668 17064 '15N chemical shifts' 177 17064 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-01-19 2010-07-16 original author . 17064 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17064 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21191921 _Citation.Full_citation . _Citation.Title 'Conformation of a Seven-Helical Transmembrane Photosensor in the Lipid Environment.' _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 . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2010 _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 Lichi Shi . . . 17064 1 2 Izuru Kawamura . . . 17064 1 3 Kwang-Hwan Jung . . . 17064 1 4 Leonid Brown . S. . 17064 1 5 Vladimir Ladizhansky . . . 17064 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'membrane proteins' 17064 1 'protein structure' 17064 1 receptor 17064 1 rhodopsin 17064 1 'Solid state NMR' 17064 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17064 _Assembly.ID 1 _Assembly.Name ASR _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 27487 _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 opsin 1 $opsin A . yes native no no . apo-protein . 17064 1 2 retinal 2 $RET B . no native no no . ligand . 17064 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1XIO . . X-ray 2.0 'the same protein crystallized in cubic lipid phase' . 17064 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'photoreptor for chromatic adaptation' 17064 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_opsin _Entity.Sf_category entity _Entity.Sf_framecode opsin _Entity.Entry_ID 17064 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name opsin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNLESLLHWIYVAGMTIGAL HFWSLSRNPRGVPQYEYLVA MFIPIWSGLAYMAMAIDQGK VEAAGQIAHYARYIDWMVTT PLLLLSLSWTAMQFIKKDWT LIGFLMSTQIVVITSGLIAD LSERDWVRYLWYICGVCAFL IILWGIWNPLRAKTRTQSSE LANLYDKLVTYFTVLWIGYP IVWIIGPSGFGWINQTIDTF LFCLLPFFSKVGFSFLDLHG LRNLNDSRQHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID RET _Entity.Nonpolymer_comp_label $chem_comp_RET _Entity.Number_of_monomers 235 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27220 _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 no BMRB 18595 . ASR . . . . . 100.00 235 100.00 100.00 3.44e-170 . . . . 17064 1 2 no BMRB 25290 . Anabaena_sensory_rhodopsin . . . . . 100.00 235 100.00 100.00 3.44e-170 . . . . 17064 1 3 no PDB 1XIO . "Anabaena Sensory Rhodopsin" . . . . . 97.45 261 100.00 100.00 5.89e-165 . . . . 17064 1 4 no PDB 2M3G . "Structure Of Anabaena Sensory Rhodopsin Determined By Solid State Nmr Spectroscopy" . . . . . 100.00 235 100.00 100.00 3.44e-170 . . . . 17064 1 5 no PDB 4TL3 . "Mechanistic Insights From The Crystal Structure Of An Inward Proton- Transporting Anabaena Sensory Rhodopsin Mutant" . . . . . 96.17 226 99.56 100.00 2.13e-161 . . . . 17064 1 6 no DBJ BAB74864 . "bacteriorhodopsin [Nostoc sp. PCC 7120]" . . . . . 97.45 261 100.00 100.00 5.89e-165 . . . . 17064 1 7 no REF WP_010997316 . "lactococcin [Nostoc sp. PCC 7120]" . . . . . 97.45 261 100.00 100.00 5.89e-165 . . . . 17064 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'photoreceptor for chromatic adaptation' 17064 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 . MET . 17064 1 2 . ASN . 17064 1 3 . LEU . 17064 1 4 . GLU . 17064 1 5 . SER . 17064 1 6 . LEU . 17064 1 7 . LEU . 17064 1 8 . HIS . 17064 1 9 . TRP . 17064 1 10 . ILE . 17064 1 11 . TYR . 17064 1 12 . VAL . 17064 1 13 . ALA . 17064 1 14 . GLY . 17064 1 15 . MET . 17064 1 16 . THR . 17064 1 17 . ILE . 17064 1 18 . GLY . 17064 1 19 . ALA . 17064 1 20 . LEU . 17064 1 21 . HIS . 17064 1 22 . PHE . 17064 1 23 . TRP . 17064 1 24 . SER . 17064 1 25 . LEU . 17064 1 26 . SER . 17064 1 27 . ARG . 17064 1 28 . ASN . 17064 1 29 . PRO . 17064 1 30 . ARG . 17064 1 31 . GLY . 17064 1 32 . VAL . 17064 1 33 . PRO . 17064 1 34 . GLN . 17064 1 35 . TYR . 17064 1 36 . GLU . 17064 1 37 . TYR . 17064 1 38 . LEU . 17064 1 39 . VAL . 17064 1 40 . ALA . 17064 1 41 . MET . 17064 1 42 . PHE . 17064 1 43 . ILE . 17064 1 44 . PRO . 17064 1 45 . ILE . 17064 1 46 . TRP . 17064 1 47 . SER . 17064 1 48 . GLY . 17064 1 49 . LEU . 17064 1 50 . ALA . 17064 1 51 . TYR . 17064 1 52 . MET . 17064 1 53 . ALA . 17064 1 54 . MET . 17064 1 55 . ALA . 17064 1 56 . ILE . 17064 1 57 . ASP . 17064 1 58 . GLN . 17064 1 59 . GLY . 17064 1 60 . LYS . 17064 1 61 . VAL . 17064 1 62 . GLU . 17064 1 63 . ALA . 17064 1 64 . ALA . 17064 1 65 . GLY . 17064 1 66 . GLN . 17064 1 67 . ILE . 17064 1 68 . ALA . 17064 1 69 . HIS . 17064 1 70 . TYR . 17064 1 71 . ALA . 17064 1 72 . ARG . 17064 1 73 . TYR . 17064 1 74 . ILE . 17064 1 75 . ASP . 17064 1 76 . TRP . 17064 1 77 . MET . 17064 1 78 . VAL . 17064 1 79 . THR . 17064 1 80 . THR . 17064 1 81 . PRO . 17064 1 82 . LEU . 17064 1 83 . LEU . 17064 1 84 . LEU . 17064 1 85 . LEU . 17064 1 86 . SER . 17064 1 87 . LEU . 17064 1 88 . SER . 17064 1 89 . TRP . 17064 1 90 . THR . 17064 1 91 . ALA . 17064 1 92 . MET . 17064 1 93 . GLN . 17064 1 94 . PHE . 17064 1 95 . ILE . 17064 1 96 . LYS . 17064 1 97 . LYS . 17064 1 98 . ASP . 17064 1 99 . TRP . 17064 1 100 . THR . 17064 1 101 . LEU . 17064 1 102 . ILE . 17064 1 103 . GLY . 17064 1 104 . PHE . 17064 1 105 . LEU . 17064 1 106 . MET . 17064 1 107 . SER . 17064 1 108 . THR . 17064 1 109 . GLN . 17064 1 110 . ILE . 17064 1 111 . VAL . 17064 1 112 . VAL . 17064 1 113 . ILE . 17064 1 114 . THR . 17064 1 115 . SER . 17064 1 116 . GLY . 17064 1 117 . LEU . 17064 1 118 . ILE . 17064 1 119 . ALA . 17064 1 120 . ASP . 17064 1 121 . LEU . 17064 1 122 . SER . 17064 1 123 . GLU . 17064 1 124 . ARG . 17064 1 125 . ASP . 17064 1 126 . TRP . 17064 1 127 . VAL . 17064 1 128 . ARG . 17064 1 129 . TYR . 17064 1 130 . LEU . 17064 1 131 . TRP . 17064 1 132 . TYR . 17064 1 133 . ILE . 17064 1 134 . CYS . 17064 1 135 . GLY . 17064 1 136 . VAL . 17064 1 137 . CYS . 17064 1 138 . ALA . 17064 1 139 . PHE . 17064 1 140 . LEU . 17064 1 141 . ILE . 17064 1 142 . ILE . 17064 1 143 . LEU . 17064 1 144 . TRP . 17064 1 145 . GLY . 17064 1 146 . ILE . 17064 1 147 . TRP . 17064 1 148 . ASN . 17064 1 149 . PRO . 17064 1 150 . LEU . 17064 1 151 . ARG . 17064 1 152 . ALA . 17064 1 153 . LYS . 17064 1 154 . THR . 17064 1 155 . ARG . 17064 1 156 . THR . 17064 1 157 . GLN . 17064 1 158 . SER . 17064 1 159 . SER . 17064 1 160 . GLU . 17064 1 161 . LEU . 17064 1 162 . ALA . 17064 1 163 . ASN . 17064 1 164 . LEU . 17064 1 165 . TYR . 17064 1 166 . ASP . 17064 1 167 . LYS . 17064 1 168 . LEU . 17064 1 169 . VAL . 17064 1 170 . THR . 17064 1 171 . TYR . 17064 1 172 . PHE . 17064 1 173 . THR . 17064 1 174 . VAL . 17064 1 175 . LEU . 17064 1 176 . TRP . 17064 1 177 . ILE . 17064 1 178 . GLY . 17064 1 179 . TYR . 17064 1 180 . PRO . 17064 1 181 . ILE . 17064 1 182 . VAL . 17064 1 183 . TRP . 17064 1 184 . ILE . 17064 1 185 . ILE . 17064 1 186 . GLY . 17064 1 187 . PRO . 17064 1 188 . SER . 17064 1 189 . GLY . 17064 1 190 . PHE . 17064 1 191 . GLY . 17064 1 192 . TRP . 17064 1 193 . ILE . 17064 1 194 . ASN . 17064 1 195 . GLN . 17064 1 196 . THR . 17064 1 197 . ILE . 17064 1 198 . ASP . 17064 1 199 . THR . 17064 1 200 . PHE . 17064 1 201 . LEU . 17064 1 202 . PHE . 17064 1 203 . CYS . 17064 1 204 . LEU . 17064 1 205 . LEU . 17064 1 206 . PRO . 17064 1 207 . PHE . 17064 1 208 . PHE . 17064 1 209 . SER . 17064 1 210 . LYS . 17064 1 211 . VAL . 17064 1 212 . GLY . 17064 1 213 . PHE . 17064 1 214 . SER . 17064 1 215 . PHE . 17064 1 216 . LEU . 17064 1 217 . ASP . 17064 1 218 . LEU . 17064 1 219 . HIS . 17064 1 220 . GLY . 17064 1 221 . LEU . 17064 1 222 . ARG . 17064 1 223 . ASN . 17064 1 224 . LEU . 17064 1 225 . ASN . 17064 1 226 . ASP . 17064 1 227 . SER . 17064 1 228 . ARG . 17064 1 229 . GLN . 17064 1 230 . HIS . 17064 1 231 . HIS . 17064 1 232 . HIS . 17064 1 233 . HIS . 17064 1 234 . HIS . 17064 1 235 . HIS . 17064 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 17064 1 . ASN 2 2 17064 1 . LEU 3 3 17064 1 . GLU 4 4 17064 1 . SER 5 5 17064 1 . LEU 6 6 17064 1 . LEU 7 7 17064 1 . HIS 8 8 17064 1 . TRP 9 9 17064 1 . ILE 10 10 17064 1 . TYR 11 11 17064 1 . VAL 12 12 17064 1 . ALA 13 13 17064 1 . GLY 14 14 17064 1 . MET 15 15 17064 1 . THR 16 16 17064 1 . ILE 17 17 17064 1 . GLY 18 18 17064 1 . ALA 19 19 17064 1 . LEU 20 20 17064 1 . HIS 21 21 17064 1 . PHE 22 22 17064 1 . TRP 23 23 17064 1 . SER 24 24 17064 1 . LEU 25 25 17064 1 . SER 26 26 17064 1 . ARG 27 27 17064 1 . ASN 28 28 17064 1 . PRO 29 29 17064 1 . ARG 30 30 17064 1 . GLY 31 31 17064 1 . VAL 32 32 17064 1 . PRO 33 33 17064 1 . GLN 34 34 17064 1 . TYR 35 35 17064 1 . GLU 36 36 17064 1 . TYR 37 37 17064 1 . LEU 38 38 17064 1 . VAL 39 39 17064 1 . ALA 40 40 17064 1 . MET 41 41 17064 1 . PHE 42 42 17064 1 . ILE 43 43 17064 1 . PRO 44 44 17064 1 . ILE 45 45 17064 1 . TRP 46 46 17064 1 . SER 47 47 17064 1 . GLY 48 48 17064 1 . LEU 49 49 17064 1 . ALA 50 50 17064 1 . TYR 51 51 17064 1 . MET 52 52 17064 1 . ALA 53 53 17064 1 . MET 54 54 17064 1 . ALA 55 55 17064 1 . ILE 56 56 17064 1 . ASP 57 57 17064 1 . GLN 58 58 17064 1 . GLY 59 59 17064 1 . LYS 60 60 17064 1 . VAL 61 61 17064 1 . GLU 62 62 17064 1 . ALA 63 63 17064 1 . ALA 64 64 17064 1 . GLY 65 65 17064 1 . GLN 66 66 17064 1 . ILE 67 67 17064 1 . ALA 68 68 17064 1 . HIS 69 69 17064 1 . TYR 70 70 17064 1 . ALA 71 71 17064 1 . ARG 72 72 17064 1 . TYR 73 73 17064 1 . ILE 74 74 17064 1 . ASP 75 75 17064 1 . TRP 76 76 17064 1 . MET 77 77 17064 1 . VAL 78 78 17064 1 . THR 79 79 17064 1 . THR 80 80 17064 1 . PRO 81 81 17064 1 . LEU 82 82 17064 1 . LEU 83 83 17064 1 . LEU 84 84 17064 1 . LEU 85 85 17064 1 . SER 86 86 17064 1 . LEU 87 87 17064 1 . SER 88 88 17064 1 . TRP 89 89 17064 1 . THR 90 90 17064 1 . ALA 91 91 17064 1 . MET 92 92 17064 1 . GLN 93 93 17064 1 . PHE 94 94 17064 1 . ILE 95 95 17064 1 . LYS 96 96 17064 1 . LYS 97 97 17064 1 . ASP 98 98 17064 1 . TRP 99 99 17064 1 . THR 100 100 17064 1 . LEU 101 101 17064 1 . ILE 102 102 17064 1 . GLY 103 103 17064 1 . PHE 104 104 17064 1 . LEU 105 105 17064 1 . MET 106 106 17064 1 . SER 107 107 17064 1 . THR 108 108 17064 1 . GLN 109 109 17064 1 . ILE 110 110 17064 1 . VAL 111 111 17064 1 . VAL 112 112 17064 1 . ILE 113 113 17064 1 . THR 114 114 17064 1 . SER 115 115 17064 1 . GLY 116 116 17064 1 . LEU 117 117 17064 1 . ILE 118 118 17064 1 . ALA 119 119 17064 1 . ASP 120 120 17064 1 . LEU 121 121 17064 1 . SER 122 122 17064 1 . GLU 123 123 17064 1 . ARG 124 124 17064 1 . ASP 125 125 17064 1 . TRP 126 126 17064 1 . VAL 127 127 17064 1 . ARG 128 128 17064 1 . TYR 129 129 17064 1 . LEU 130 130 17064 1 . TRP 131 131 17064 1 . TYR 132 132 17064 1 . ILE 133 133 17064 1 . CYS 134 134 17064 1 . GLY 135 135 17064 1 . VAL 136 136 17064 1 . CYS 137 137 17064 1 . ALA 138 138 17064 1 . PHE 139 139 17064 1 . LEU 140 140 17064 1 . ILE 141 141 17064 1 . ILE 142 142 17064 1 . LEU 143 143 17064 1 . TRP 144 144 17064 1 . GLY 145 145 17064 1 . ILE 146 146 17064 1 . TRP 147 147 17064 1 . ASN 148 148 17064 1 . PRO 149 149 17064 1 . LEU 150 150 17064 1 . ARG 151 151 17064 1 . ALA 152 152 17064 1 . LYS 153 153 17064 1 . THR 154 154 17064 1 . ARG 155 155 17064 1 . THR 156 156 17064 1 . GLN 157 157 17064 1 . SER 158 158 17064 1 . SER 159 159 17064 1 . GLU 160 160 17064 1 . LEU 161 161 17064 1 . ALA 162 162 17064 1 . ASN 163 163 17064 1 . LEU 164 164 17064 1 . TYR 165 165 17064 1 . ASP 166 166 17064 1 . LYS 167 167 17064 1 . LEU 168 168 17064 1 . VAL 169 169 17064 1 . THR 170 170 17064 1 . TYR 171 171 17064 1 . PHE 172 172 17064 1 . THR 173 173 17064 1 . VAL 174 174 17064 1 . LEU 175 175 17064 1 . TRP 176 176 17064 1 . ILE 177 177 17064 1 . GLY 178 178 17064 1 . TYR 179 179 17064 1 . PRO 180 180 17064 1 . ILE 181 181 17064 1 . VAL 182 182 17064 1 . TRP 183 183 17064 1 . ILE 184 184 17064 1 . ILE 185 185 17064 1 . GLY 186 186 17064 1 . PRO 187 187 17064 1 . SER 188 188 17064 1 . GLY 189 189 17064 1 . PHE 190 190 17064 1 . GLY 191 191 17064 1 . TRP 192 192 17064 1 . ILE 193 193 17064 1 . ASN 194 194 17064 1 . GLN 195 195 17064 1 . THR 196 196 17064 1 . ILE 197 197 17064 1 . ASP 198 198 17064 1 . THR 199 199 17064 1 . PHE 200 200 17064 1 . LEU 201 201 17064 1 . PHE 202 202 17064 1 . CYS 203 203 17064 1 . LEU 204 204 17064 1 . LEU 205 205 17064 1 . PRO 206 206 17064 1 . PHE 207 207 17064 1 . PHE 208 208 17064 1 . SER 209 209 17064 1 . LYS 210 210 17064 1 . VAL 211 211 17064 1 . GLY 212 212 17064 1 . PHE 213 213 17064 1 . SER 214 214 17064 1 . PHE 215 215 17064 1 . LEU 216 216 17064 1 . ASP 217 217 17064 1 . LEU 218 218 17064 1 . HIS 219 219 17064 1 . GLY 220 220 17064 1 . LEU 221 221 17064 1 . ARG 222 222 17064 1 . ASN 223 223 17064 1 . LEU 224 224 17064 1 . ASN 225 225 17064 1 . ASP 226 226 17064 1 . SER 227 227 17064 1 . ARG 228 228 17064 1 . GLN 229 229 17064 1 . HIS 230 230 17064 1 . HIS 231 231 17064 1 . HIS 232 232 17064 1 . HIS 233 233 17064 1 . HIS 234 234 17064 1 . HIS 235 235 17064 1 stop_ save_ save_RET _Entity.Sf_category entity _Entity.Sf_framecode RET _Entity.Entry_ID 17064 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RET _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID RET _Entity.Nonpolymer_comp_label $chem_comp_RET _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . RET . 17064 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17064 _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 $opsin . 103690 organism . 'Nostoc sp. PCC 7120' 'Anabaena PCC7120' . . Bacteria . Nostoc . . . . . . . . . . . . . . . . . aso . . . . 17064 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 17064 _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 $opsin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . na . . . . . . 17064 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_RET _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_RET _Chem_comp.Entry_ID 17064 _Chem_comp.ID RET _Chem_comp.Provenance . _Chem_comp.Name RETINAL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code RET _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code RET _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C20 H28 O' _Chem_comp.Formula_weight 284.436 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1OPB _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:01:03 2009 The retinal is covalently bound to the Lys210 of ASR via a Schiff Base ; _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=C\C(=C\C=C\C(=C\C=O)\C)\C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17064 RET CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C SMILES 'OpenEye OEToolkits' 1.5.0 17064 RET CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C SMILES_CANONICAL CACTVS 3.341 17064 RET CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C SMILES CACTVS 3.341 17064 RET InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ InChI InChI 1.02b 17064 RET NCYCYZXNIZJOKI-OVSJKPMPBO InChIKey InChI 1.02b 17064 RET O=C\C=C(\C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)C)C SMILES ACDLabs 10.04 17064 RET 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 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17064 RET retinal 'SYSTEMATIC NAME' ACDLabs 10.04 17064 RET stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . . . . . . . -5.590 . 13.158 . 53.080 . . . . . . 17064 RET C10 . C10 . . C . . N 0 . . . . . . . . . . -7.569 . 17.648 . 50.602 . . . . . . 17064 RET C11 . C11 . . C . . N 0 . . . . . . . . . . -8.141 . 18.699 . 49.798 . . . . . . 17064 RET C12 . C12 . . C . . N 0 . . . . . . . . . . -9.328 . 19.245 . 50.048 . . . . . . 17064 RET C13 . C13 . . C . . N 0 . . . . . . . . . . -10.012 . 20.306 . 49.302 . . . . . . 17064 RET C14 . C14 . . C . . N 0 . . . . . . . . . . -11.232 . 20.649 . 49.763 . . . . . . 17064 RET C15 . C15 . . C . . N 0 . . . . . . . . . . -12.134 . 21.659 . 49.229 . . . . . . 17064 RET C16 . C16 . . C . . N 0 . . . . . . . . . . -6.839 . 12.703 . 52.333 . . . . . . 17064 RET C17 . C17 . . C . . N 0 . . . . . . . . . . -6.072 . 13.878 . 54.344 . . . . . . 17064 RET C18 . C18 . . C . . N 0 . . . . . . . . . . -2.187 . 14.357 . 51.431 . . . . . . 17064 RET C19 . C19 . . C . . N 0 . . . . . . . . . . -5.585 . 17.081 . 49.160 . . . . . . 17064 RET C2 . C2 . . C . . N 0 . . . . . . . . . . -4.929 . 11.803 . 53.442 . . . . . . 17064 RET C20 . C20 . . C . . N 0 . . . . . . . . . . -9.562 . 20.581 . 47.903 . . . . . . 17064 RET C3 . C3 . . C . . N 0 . . . . . . . . . . -3.621 . 11.861 . 53.982 . . . . . . 17064 RET C4 . C4 . . C . . N 0 . . . . . . . . . . -2.648 . 12.661 . 53.187 . . . . . . 17064 RET C5 . C5 . . C . . N 0 . . . . . . . . . . -3.256 . 13.719 . 52.298 . . . . . . 17064 RET C6 . C6 . . C . . N 0 . . . . . . . . . . -4.574 . 14.002 . 52.251 . . . . . . 17064 RET C7 . C7 . . C . . N 0 . . . . . . . . . . -5.044 . 15.082 . 51.321 . . . . . . 17064 RET C8 . C8 . . C . . N 0 . . . . . . . . . . -6.101 . 15.895 . 51.358 . . . . . . 17064 RET C9 . C9 . . C . . N 0 . . . . . . . . . . -6.459 . 16.916 . 50.367 . . . . . . 17064 RET H10 . H10 . . H . . N 0 . . . . . . . . . . -8.058 . 17.357 . 51.547 . . . . . . 17064 RET H11 . H11 . . H . . N 0 . . . . . . . . . . -7.627 . 19.120 . 48.917 . . . . . . 17064 RET H12 . H12 . . H . . N 0 . . . . . . . . . . -9.779 . 18.782 . 50.941 . . . . . . 17064 RET H14 . H14 . . H . . N 0 . . . . . . . . . . -11.515 . 20.055 . 50.648 . . . . . . 17064 RET H15 . H15 . . H . . N 0 . . . . . . . . . . -11.861 . 22.725 . 49.294 . . . . . . 17064 RET H161 . H161 . . H . . N 0 . . . . . . . . . . -7.314 . 13.677 . 52.072 . . . . . . 17064 RET H162 . H162 . . H . . N 0 . . . . . . . . . . -6.653 . 12.020 . 51.471 . . . . . . 17064 RET H163 . H163 . . H . . N 0 . . . . . . . . . . -7.491 . 11.990 . 52.889 . . . . . . 17064 RET H171 . H171 . . H . . N 0 . . . . . . . . . . -6.547 . 14.852 . 54.083 . . . . . . 17064 RET H172 . H172 . . H . . N 0 . . . . . . . . . . -6.750 . 13.236 . 54.952 . . . . . . 17064 RET H173 . H173 . . H . . N 0 . . . . . . . . . . -5.250 . 14.003 . 55.087 . . . . . . 17064 RET H181 . H181 . . H . . N 0 . . . . . . . . . . -2.636 . 15.138 . 50.774 . . . . . . 17064 RET H182 . H182 . . H . . N 0 . . . . . . . . . . -1.343 . 14.759 . 52.039 . . . . . . 17064 RET H183 . H183 . . H . . N 0 . . . . . . . . . . -1.619 . 13.597 . 50.844 . . . . . . 17064 RET H191 . H191 . . H . . N 0 . . . . . . . . . . -5.857 . 17.856 . 48.406 . . . . . . 17064 RET H192 . H192 . . H . . N 0 . . . . . . . . . . -4.535 . 17.253 . 49.494 . . . . . . 17064 RET H193 . H193 . . H . . N 0 . . . . . . . . . . -5.488 . 16.096 . 48.646 . . . . . . 17064 RET H201 . H201 . . H . . N 0 . . . . . . . . . . -10.082 . 21.387 . 47.335 . . . . . . 17064 RET H202 . H202 . . H . . N 0 . . . . . . . . . . -8.465 . 20.783 . 47.904 . . . . . . 17064 RET H203 . H203 . . H . . N 0 . . . . . . . . . . -9.601 . 19.635 . 47.313 . . . . . . 17064 RET H21 . H21 . . H . . N 0 . . . . . . . . . . -5.594 . 11.233 . 54.132 . . . . . . 17064 RET H22 . H22 . . H . . N 0 . . . . . . . . . . -4.937 . 11.132 . 52.551 . . . . . . 17064 RET H31 . H31 . . H . . N 0 . . . . . . . . . . -3.654 . 12.229 . 55.033 . . . . . . 17064 RET H32 . H32 . . H . . N 0 . . . . . . . . . . -3.227 . 10.831 . 54.149 . . . . . . 17064 RET H41 . H41 . . H . . N 0 . . . . . . . . . . -1.887 . 13.118 . 53.861 . . . . . . 17064 RET H42 . H42 . . H . . N 0 . . . . . . . . . . -1.996 . 11.984 . 52.586 . . . . . . 17064 RET H7 . H7 . . H . . N 0 . . . . . . . . . . -4.487 . 15.335 . 50.403 . . . . . . 17064 RET H8 . H8 . . H . . N 0 . . . . . . . . . . -6.712 . 15.713 . 52.257 . . . . . . 17064 RET O1 . O1 . . O . . N 0 . . . . . . . . . . -13.374 . 21.346 . 48.614 . . . . . . 17064 RET stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 . . 1 . 17064 RET 2 . SING C1 C6 . . 2 . 17064 RET 3 . SING C1 C16 . . 3 . 17064 RET 4 . SING C1 C17 . . 4 . 17064 RET 5 . SING C2 C3 . . 5 . 17064 RET 6 . SING C2 H21 . . 6 . 17064 RET 7 . SING C2 H22 . . 7 . 17064 RET 8 . SING C3 C4 . . 8 . 17064 RET 9 . SING C3 H31 . . 9 . 17064 RET 10 . SING C3 H32 . . 10 . 17064 RET 11 . SING C4 C5 . . 11 . 17064 RET 12 . SING C4 H41 . . 12 . 17064 RET 13 . SING C4 H42 . . 13 . 17064 RET 14 . DOUB C5 C6 . . 14 . 17064 RET 15 . SING C5 C18 . . 15 . 17064 RET 16 . SING C6 C7 . . 16 . 17064 RET 17 . DOUB C7 C8 . . 17 . 17064 RET 18 . SING C7 H7 . . 18 . 17064 RET 19 . SING C8 C9 . . 19 . 17064 RET 20 . SING C8 H8 . . 20 . 17064 RET 21 . DOUB C9 C10 . . 21 . 17064 RET 22 . SING C9 C19 . . 22 . 17064 RET 23 . SING C10 C11 . . 23 . 17064 RET 24 . SING C10 H10 . . 24 . 17064 RET 25 . DOUB C11 C12 . . 25 . 17064 RET 26 . SING C11 H11 . . 26 . 17064 RET 27 . SING C12 C13 . . 27 . 17064 RET 28 . SING C12 H12 . . 28 . 17064 RET 29 . DOUB C13 C14 . . 29 . 17064 RET 30 . SING C13 C20 . . 30 . 17064 RET 31 . SING C14 C15 . . 31 . 17064 RET 32 . SING C14 H14 . . 32 . 17064 RET 33 . DOUB C15 O1 . . 33 . 17064 RET 34 . SING C15 H15 . . 34 . 17064 RET 35 . SING C16 H161 . . 35 . 17064 RET 36 . SING C16 H162 . . 36 . 17064 RET 37 . SING C16 H163 . . 37 . 17064 RET 38 . SING C17 H171 . . 38 . 17064 RET 39 . SING C17 H172 . . 39 . 17064 RET 40 . SING C17 H173 . . 40 . 17064 RET 41 . SING C18 H181 . . 41 . 17064 RET 42 . SING C18 H182 . . 42 . 17064 RET 43 . SING C18 H183 . . 43 . 17064 RET 44 . SING C19 H191 . . 44 . 17064 RET 45 . SING C19 H192 . . 45 . 17064 RET 46 . SING C19 H193 . . 46 . 17064 RET 47 . SING C20 H201 . . 47 . 17064 RET 48 . SING C20 H202 . . 48 . 17064 RET 49 . SING C20 H203 . . 49 . 17064 RET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17064 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% H2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 opsin '[U-99% 13C; U-99% 15N]' . . 1 $opsin . . 11 . . mg 1 . . . 17064 1 2 retinal 'natural abundance' . . 2 $RET . . 110 . . ug 10 . . . 17064 1 3 H2O 'natural abundance' . . . . . . 100 . . % . . . . 17064 1 4 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 17064 1 5 CHES 'natural abundance' . . . . . . 25 . . mM . . . . 17064 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17064 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10 mM NaCl, 25 mM CHES' 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' 90 1 mM 17064 1 pH 9 0.1 pH 17064 1 pressure 1 . atm 17064 1 temperature 273 . K 17064 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17064 _Sample_condition_list.ID 2 _Sample_condition_list.Details '10mM NaCl, 25mM CHES' 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' 90 5 mM 17064 2 pD 9 0.1 pH 17064 2 temperature 273 . K 17064 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17064 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17064 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17064 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17064 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17064 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17064 2 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 17064 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17064 _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 . 800 . . . 17064 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 17064 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CONCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17064 1 2 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17064 1 3 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17064 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 17064 _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 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17064 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17064 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 17064 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CONCA' . . . 17064 1 2 '3D NCACX' . . . 17064 1 3 '3D NCOCX' . . . 17064 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 6 6 LEU C C 13 176.8 0.2 . 1 . . . . 6 LEU C . 17064 1 2 . 1 1 6 6 LEU CA C 13 57.4 0.2 . 1 . . . . 6 LEU CA . 17064 1 3 . 1 1 6 6 LEU CB C 13 43.0 0.2 . 1 . . . . 6 LEU CB . 17064 1 4 . 1 1 6 6 LEU CD1 C 13 25.2 0.2 . 2 . . . . 6 LEU CD1 . 17064 1 5 . 1 1 6 6 LEU CD2 C 13 24.4 0.2 . 2 . . . . 6 LEU CD2 . 17064 1 6 . 1 1 6 6 LEU CG C 13 26.6 0.2 . 1 . . . . 6 LEU CG . 17064 1 7 . 1 1 6 6 LEU N N 15 117.1 0.2 . 1 . . . . 6 LEU N . 17064 1 8 . 1 1 7 7 LEU C C 13 178.3 0.2 . 1 . . . . 7 LEU C . 17064 1 9 . 1 1 7 7 LEU CA C 13 58.6 0.2 . 1 . . . . 7 LEU CA . 17064 1 10 . 1 1 7 7 LEU CB C 13 41.2 0.2 . 1 . . . . 7 LEU CB . 17064 1 11 . 1 1 7 7 LEU CG C 13 26.8 0.2 . 1 . . . . 7 LEU CG . 17064 1 12 . 1 1 7 7 LEU N N 15 117.4 0.2 . 1 . . . . 7 LEU N . 17064 1 13 . 1 1 8 8 HIS C C 13 177.9 0.2 . 1 . . . . 8 HIS C . 17064 1 14 . 1 1 8 8 HIS CA C 13 63.4 0.2 . 1 . . . . 8 HIS CA . 17064 1 15 . 1 1 8 8 HIS CB C 13 28.6 0.2 . 1 . . . . 8 HIS CB . 17064 1 16 . 1 1 8 8 HIS CD2 C 13 127.1 0.2 . 1 . . . . 8 HIS CD2 . 17064 1 17 . 1 1 8 8 HIS CG C 13 129.2 0.2 . 1 . . . . 8 HIS CG . 17064 1 18 . 1 1 8 8 HIS N N 15 115.8 0.2 . 1 . . . . 8 HIS N . 17064 1 19 . 1 1 9 9 TRP C C 13 179.6 0.2 . 1 . . . . 9 TRP C . 17064 1 20 . 1 1 9 9 TRP CA C 13 61.0 0.2 . 1 . . . . 9 TRP CA . 17064 1 21 . 1 1 9 9 TRP CB C 13 30.5 0.2 . 1 . . . . 9 TRP CB . 17064 1 22 . 1 1 9 9 TRP CG C 13 111.9 0.2 . 1 . . . . 9 TRP CG . 17064 1 23 . 1 1 9 9 TRP N N 15 119.8 0.2 . 1 . . . . 9 TRP N . 17064 1 24 . 1 1 10 10 ILE C C 13 177.6 0.2 . 1 . . . . 10 ILE C . 17064 1 25 . 1 1 10 10 ILE CA C 13 66.0 0.2 . 1 . . . . 10 ILE CA . 17064 1 26 . 1 1 10 10 ILE CB C 13 37.4 0.2 . 1 . . . . 10 ILE CB . 17064 1 27 . 1 1 10 10 ILE CG1 C 13 29.8 0.2 . 1 . . . . 10 ILE CG1 . 17064 1 28 . 1 1 10 10 ILE CG2 C 13 18.1 0.2 . 1 . . . . 10 ILE CG2 . 17064 1 29 . 1 1 10 10 ILE N N 15 119.9 0.2 . 1 . . . . 10 ILE N . 17064 1 30 . 1 1 11 11 TYR C C 13 177.3 0.2 . 1 . . . . 11 TYR C . 17064 1 31 . 1 1 11 11 TYR CA C 13 63.6 0.2 . 1 . . . . 11 TYR CA . 17064 1 32 . 1 1 11 11 TYR CB C 13 38.5 0.2 . 1 . . . . 11 TYR CB . 17064 1 33 . 1 1 11 11 TYR N N 15 121.2 0.2 . 1 . . . . 11 TYR N . 17064 1 34 . 1 1 12 12 VAL C C 13 179.8 0.2 . 1 . . . . 12 VAL C . 17064 1 35 . 1 1 12 12 VAL CA C 13 68.1 0.2 . 1 . . . . 12 VAL CA . 17064 1 36 . 1 1 12 12 VAL CB C 13 31.9 0.2 . 1 . . . . 12 VAL CB . 17064 1 37 . 1 1 12 12 VAL CG1 C 13 22.6 0.2 . 2 . . . . 12 VAL CG1 . 17064 1 38 . 1 1 12 12 VAL CG2 C 13 21.7 0.2 . 2 . . . . 12 VAL CG2 . 17064 1 39 . 1 1 12 12 VAL N N 15 121.5 0.2 . 1 . . . . 12 VAL N . 17064 1 40 . 1 1 13 13 ALA C C 13 179.2 0.2 . 1 . . . . 13 ALA C . 17064 1 41 . 1 1 13 13 ALA CA C 13 55.9 0.2 . 1 . . . . 13 ALA CA . 17064 1 42 . 1 1 13 13 ALA CB C 13 18.0 0.2 . 1 . . . . 13 ALA CB . 17064 1 43 . 1 1 13 13 ALA N N 15 124.2 0.2 . 1 . . . . 13 ALA N . 17064 1 44 . 1 1 14 14 GLY C C 13 175.6 0.2 . 1 . . . . 14 GLY C . 17064 1 45 . 1 1 14 14 GLY CA C 13 48.2 0.2 . 1 . . . . 14 GLY CA . 17064 1 46 . 1 1 14 14 GLY N N 15 106.6 0.2 . 1 . . . . 14 GLY N . 17064 1 47 . 1 1 15 15 MET C C 13 178.1 0.2 . 1 . . . . 15 MET C . 17064 1 48 . 1 1 15 15 MET CA C 13 56.9 0.2 . 1 . . . . 15 MET CA . 17064 1 49 . 1 1 15 15 MET CB C 13 35.3 0.2 . 1 . . . . 15 MET CB . 17064 1 50 . 1 1 15 15 MET CG C 13 33.6 0.2 . 1 . . . . 15 MET CG . 17064 1 51 . 1 1 15 15 MET N N 15 121.0 0.2 . 1 . . . . 15 MET N . 17064 1 52 . 1 1 16 16 THR C C 13 176.1 0.2 . 1 . . . . 16 THR C . 17064 1 53 . 1 1 16 16 THR CA C 13 68.1 0.2 . 1 . . . . 16 THR CA . 17064 1 54 . 1 1 16 16 THR CG2 C 13 21.1 0.2 . 1 . . . . 16 THR CG2 . 17064 1 55 . 1 1 16 16 THR N N 15 116.7 0.2 . 1 . . . . 16 THR N . 17064 1 56 . 1 1 17 17 ILE C C 13 177.8 0.2 . 1 . . . . 17 ILE C . 17064 1 57 . 1 1 17 17 ILE CA C 13 65.6 0.2 . 1 . . . . 17 ILE CA . 17064 1 58 . 1 1 17 17 ILE CB C 13 38.0 0.2 . 1 . . . . 17 ILE CB . 17064 1 59 . 1 1 17 17 ILE CG2 C 13 17.6 0.2 . 1 . . . . 17 ILE CG2 . 17064 1 60 . 1 1 17 17 ILE N N 15 119.5 0.2 . 1 . . . . 17 ILE N . 17064 1 61 . 1 1 18 18 GLY C C 13 172.7 0.2 . 1 . . . . 18 GLY C . 17064 1 62 . 1 1 18 18 GLY CA C 13 48.0 0.2 . 1 . . . . 18 GLY CA . 17064 1 63 . 1 1 18 18 GLY N N 15 105.1 0.2 . 1 . . . . 18 GLY N . 17064 1 64 . 1 1 19 19 ALA C C 13 179.8 0.2 . 1 . . . . 19 ALA C . 17064 1 65 . 1 1 19 19 ALA CA C 13 56.7 0.2 . 1 . . . . 19 ALA CA . 17064 1 66 . 1 1 19 19 ALA CB C 13 18.2 0.2 . 1 . . . . 19 ALA CB . 17064 1 67 . 1 1 19 19 ALA N N 15 122.2 0.2 . 1 . . . . 19 ALA N . 17064 1 68 . 1 1 20 20 LEU C C 13 179.4 0.2 . 1 . . . . 20 LEU C . 17064 1 69 . 1 1 20 20 LEU CA C 13 58.1 0.2 . 1 . . . . 20 LEU CA . 17064 1 70 . 1 1 20 20 LEU CB C 13 42.7 0.2 . 1 . . . . 20 LEU CB . 17064 1 71 . 1 1 20 20 LEU CG C 13 27.1 0.2 . 1 . . . . 20 LEU CG . 17064 1 72 . 1 1 20 20 LEU N N 15 115.9 0.2 . 1 . . . . 20 LEU N . 17064 1 73 . 1 1 39 39 VAL C C 13 176.5 0.2 . 1 . . . . 39 VAL C . 17064 1 74 . 1 1 39 39 VAL CA C 13 68.6 0.2 . 1 . . . . 39 VAL CA . 17064 1 75 . 1 1 39 39 VAL CB C 13 32.9 0.2 . 1 . . . . 39 VAL CB . 17064 1 76 . 1 1 39 39 VAL CG1 C 13 26.4 0.2 . 2 . . . . 39 VAL CG1 . 17064 1 77 . 1 1 39 39 VAL CG2 C 13 23.8 0.2 . 2 . . . . 39 VAL CG2 . 17064 1 78 . 1 1 39 39 VAL N N 15 118.2 0.2 . 1 . . . . 39 VAL N . 17064 1 79 . 1 1 40 40 ALA C C 13 178.0 0.2 . 1 . . . . 40 ALA C . 17064 1 80 . 1 1 40 40 ALA CA C 13 55.3 0.2 . 1 . . . . 40 ALA CA . 17064 1 81 . 1 1 40 40 ALA CB C 13 19.1 0.2 . 1 . . . . 40 ALA CB . 17064 1 82 . 1 1 40 40 ALA N N 15 118.6 0.2 . 1 . . . . 40 ALA N . 17064 1 83 . 1 1 41 41 MET C C 13 176.6 0.2 . 1 . . . . 41 MET C . 17064 1 84 . 1 1 41 41 MET CA C 13 59.2 0.2 . 1 . . . . 41 MET CA . 17064 1 85 . 1 1 41 41 MET CB C 13 34.3 0.2 . 1 . . . . 41 MET CB . 17064 1 86 . 1 1 41 41 MET N N 15 110.7 0.2 . 1 . . . . 41 MET N . 17064 1 87 . 1 1 42 42 PHE C C 13 177.4 0.2 . 1 . . . . 42 PHE C . 17064 1 88 . 1 1 42 42 PHE CA C 13 63.2 0.2 . 1 . . . . 42 PHE CA . 17064 1 89 . 1 1 42 42 PHE CB C 13 40.4 0.2 . 1 . . . . 42 PHE CB . 17064 1 90 . 1 1 42 42 PHE N N 15 119.5 0.2 . 1 . . . . 42 PHE N . 17064 1 91 . 1 1 43 43 ILE C C 13 174.7 0.2 . 1 . . . . 43 ILE C . 17064 1 92 . 1 1 43 43 ILE CA C 13 67.9 0.2 . 1 . . . . 43 ILE CA . 17064 1 93 . 1 1 43 43 ILE CB C 13 36.8 0.2 . 1 . . . . 43 ILE CB . 17064 1 94 . 1 1 43 43 ILE CD1 C 13 14.8 0.2 . 1 . . . . 43 ILE CD1 . 17064 1 95 . 1 1 43 43 ILE CG2 C 13 17.6 0.2 . 1 . . . . 43 ILE CG2 . 17064 1 96 . 1 1 43 43 ILE N N 15 115.1 0.2 . 1 . . . . 43 ILE N . 17064 1 97 . 1 1 44 44 PRO C C 13 178.5 0.2 . 1 . . . . 44 PRO C . 17064 1 98 . 1 1 44 44 PRO CA C 13 65.5 0.2 . 1 . . . . 44 PRO CA . 17064 1 99 . 1 1 44 44 PRO CB C 13 32.6 0.2 . 1 . . . . 44 PRO CB . 17064 1 100 . 1 1 44 44 PRO CD C 13 51.4 0.2 . 1 . . . . 44 PRO CD . 17064 1 101 . 1 1 44 44 PRO CG C 13 27.8 0.2 . 1 . . . . 44 PRO CG . 17064 1 102 . 1 1 44 44 PRO N N 15 132.2 0.2 . 1 . . . . 44 PRO N . 17064 1 103 . 1 1 45 45 ILE C C 13 176.0 0.2 . 1 . . . . 45 ILE C . 17064 1 104 . 1 1 45 45 ILE CA C 13 64.6 0.2 . 1 . . . . 45 ILE CA . 17064 1 105 . 1 1 45 45 ILE CB C 13 37.1 0.2 . 1 . . . . 45 ILE CB . 17064 1 106 . 1 1 45 45 ILE CG1 C 13 29.0 0.2 . 1 . . . . 45 ILE CG1 . 17064 1 107 . 1 1 45 45 ILE CG2 C 13 16.8 0.2 . 1 . . . . 45 ILE CG2 . 17064 1 108 . 1 1 45 45 ILE N N 15 119.6 0.2 . 1 . . . . 45 ILE N . 17064 1 109 . 1 1 46 46 TRP C C 13 177.1 0.2 . 1 . . . . 46 TRP C . 17064 1 110 . 1 1 46 46 TRP CA C 13 60.9 0.2 . 1 . . . . 46 TRP CA . 17064 1 111 . 1 1 46 46 TRP CB C 13 29.4 0.2 . 1 . . . . 46 TRP CB . 17064 1 112 . 1 1 46 46 TRP CD1 C 13 125.8 0.2 . 2 . . . . 46 TRP CD1 . 17064 1 113 . 1 1 46 46 TRP CE2 C 13 139.7 0.2 . 1 . . . . 46 TRP CE2 . 17064 1 114 . 1 1 46 46 TRP CG C 13 112.0 0.2 . 1 . . . . 46 TRP CG . 17064 1 115 . 1 1 46 46 TRP N N 15 120.1 0.2 . 1 . . . . 46 TRP N . 17064 1 116 . 1 1 46 46 TRP NE1 N 15 126.6 0.2 . 1 . . . . 46 TRP NE1 . 17064 1 117 . 1 1 47 47 SER C C 13 177.7 0.2 . 1 . . . . 47 SER C . 17064 1 118 . 1 1 47 47 SER CA C 13 60.2 0.2 . 1 . . . . 47 SER CA . 17064 1 119 . 1 1 47 47 SER CB C 13 65.7 0.2 . 1 . . . . 47 SER CB . 17064 1 120 . 1 1 47 47 SER N N 15 106.4 0.2 . 1 . . . . 47 SER N . 17064 1 121 . 1 1 48 48 GLY C C 13 174.9 0.2 . 1 . . . . 48 GLY C . 17064 1 122 . 1 1 48 48 GLY CA C 13 47.5 0.2 . 1 . . . . 48 GLY CA . 17064 1 123 . 1 1 48 48 GLY N N 15 106.4 0.2 . 1 . . . . 48 GLY N . 17064 1 124 . 1 1 49 49 LEU C C 13 178.4 0.2 . 1 . . . . 49 LEU C . 17064 1 125 . 1 1 49 49 LEU CA C 13 58.3 0.2 . 1 . . . . 49 LEU CA . 17064 1 126 . 1 1 49 49 LEU CB C 13 41.4 0.2 . 1 . . . . 49 LEU CB . 17064 1 127 . 1 1 49 49 LEU CD1 C 13 26.7 0.2 . 2 . . . . 49 LEU CD1 . 17064 1 128 . 1 1 49 49 LEU CD2 C 13 22.9 0.2 . 2 . . . . 49 LEU CD2 . 17064 1 129 . 1 1 49 49 LEU CG C 13 27.2 0.2 . 1 . . . . 49 LEU CG . 17064 1 130 . 1 1 49 49 LEU N N 15 121.5 0.2 . 1 . . . . 49 LEU N . 17064 1 131 . 1 1 50 50 ALA C C 13 178.7 0.2 . 1 . . . . 50 ALA C . 17064 1 132 . 1 1 50 50 ALA CA C 13 55.3 0.2 . 1 . . . . 50 ALA CA . 17064 1 133 . 1 1 50 50 ALA CB C 13 18.2 0.2 . 1 . . . . 50 ALA CB . 17064 1 134 . 1 1 50 50 ALA N N 15 121.1 0.2 . 1 . . . . 50 ALA N . 17064 1 135 . 1 1 51 51 TYR C C 13 178.3 0.2 . 1 . . . . 51 TYR C . 17064 1 136 . 1 1 51 51 TYR CA C 13 60.7 0.2 . 1 . . . . 51 TYR CA . 17064 1 137 . 1 1 51 51 TYR CB C 13 38.5 0.2 . 1 . . . . 51 TYR CB . 17064 1 138 . 1 1 51 51 TYR CZ C 13 157.4 0.2 . 1 . . . . 51 TYR CZ . 17064 1 139 . 1 1 51 51 TYR N N 15 119.1 0.2 . 1 . . . . 51 TYR N . 17064 1 140 . 1 1 52 52 MET C C 13 177.5 0.2 . 1 . . . . 52 MET C . 17064 1 141 . 1 1 52 52 MET CA C 13 59.2 0.2 . 1 . . . . 52 MET CA . 17064 1 142 . 1 1 52 52 MET CB C 13 33.2 0.2 . 1 . . . . 52 MET CB . 17064 1 143 . 1 1 52 52 MET CE C 13 17.6 0.2 . 1 . . . . 52 MET CE . 17064 1 144 . 1 1 52 52 MET CG C 13 31.6 0.2 . 1 . . . . 52 MET CG . 17064 1 145 . 1 1 52 52 MET N N 15 126.2 0.2 . 1 . . . . 52 MET N . 17064 1 146 . 1 1 53 53 ALA C C 13 179.2 0.2 . 1 . . . . 53 ALA C . 17064 1 147 . 1 1 53 53 ALA CA C 13 54.8 0.2 . 1 . . . . 53 ALA CA . 17064 1 148 . 1 1 53 53 ALA CB C 13 17.5 0.2 . 1 . . . . 53 ALA CB . 17064 1 149 . 1 1 53 53 ALA N N 15 118.4 0.2 . 1 . . . . 53 ALA N . 17064 1 150 . 1 1 54 54 MET C C 13 180.7 0.2 . 1 . . . . 54 MET C . 17064 1 151 . 1 1 54 54 MET CA C 13 58.8 0.2 . 1 . . . . 54 MET CA . 17064 1 152 . 1 1 54 54 MET CB C 13 33.2 0.2 . 1 . . . . 54 MET CB . 17064 1 153 . 1 1 54 54 MET CE C 13 16.5 0.2 . 1 . . . . 54 MET CE . 17064 1 154 . 1 1 54 54 MET CG C 13 31.2 0.2 . 1 . . . . 54 MET CG . 17064 1 155 . 1 1 54 54 MET N N 15 114.0 0.2 . 1 . . . . 54 MET N . 17064 1 156 . 1 1 55 55 ALA C C 13 179.4 0.2 . 1 . . . . 55 ALA C . 17064 1 157 . 1 1 55 55 ALA CA C 13 55.6 0.2 . 1 . . . . 55 ALA CA . 17064 1 158 . 1 1 55 55 ALA CB C 13 15.7 0.2 . 1 . . . . 55 ALA CB . 17064 1 159 . 1 1 55 55 ALA N N 15 127.1 0.2 . 1 . . . . 55 ALA N . 17064 1 160 . 1 1 56 56 ILE C C 13 174.4 0.2 . 1 . . . . 56 ILE C . 17064 1 161 . 1 1 56 56 ILE CA C 13 60.5 0.2 . 1 . . . . 56 ILE CA . 17064 1 162 . 1 1 56 56 ILE CB C 13 36.2 0.2 . 1 . . . . 56 ILE CB . 17064 1 163 . 1 1 56 56 ILE CD1 C 13 15.4 0.2 . 1 . . . . 56 ILE CD1 . 17064 1 164 . 1 1 56 56 ILE CG1 C 13 23.6 0.2 . 1 . . . . 56 ILE CG1 . 17064 1 165 . 1 1 56 56 ILE CG2 C 13 18.7 0.2 . 1 . . . . 56 ILE CG2 . 17064 1 166 . 1 1 56 56 ILE N N 15 111.2 0.2 . 1 . . . . 56 ILE N . 17064 1 167 . 1 1 57 57 ASP C C 13 175.0 0.2 . 1 . . . . 57 ASP C . 17064 1 168 . 1 1 57 57 ASP CA C 13 56.6 0.2 . 1 . . . . 57 ASP CA . 17064 1 169 . 1 1 57 57 ASP CB C 13 38.7 0.2 . 1 . . . . 57 ASP CB . 17064 1 170 . 1 1 57 57 ASP CG C 13 182.0 0.2 . 1 . . . . 57 ASP CG . 17064 1 171 . 1 1 57 57 ASP N N 15 115.3 0.2 . 1 . . . . 57 ASP N . 17064 1 172 . 1 1 58 58 GLN C C 13 175.2 0.2 . 1 . . . . 58 GLN C . 17064 1 173 . 1 1 58 58 GLN CA C 13 54.8 0.2 . 1 . . . . 58 GLN CA . 17064 1 174 . 1 1 58 58 GLN CB C 13 32.0 0.2 . 1 . . . . 58 GLN CB . 17064 1 175 . 1 1 58 58 GLN CG C 13 35.6 0.2 . 1 . . . . 58 GLN CG . 17064 1 176 . 1 1 58 58 GLN N N 15 117.4 0.2 . 1 . . . . 58 GLN N . 17064 1 177 . 1 1 59 59 GLY C C 13 172.3 0.2 . 1 . . . . 59 GLY C . 17064 1 178 . 1 1 59 59 GLY CA C 13 46.0 0.2 . 1 . . . . 59 GLY CA . 17064 1 179 . 1 1 59 59 GLY N N 15 101.7 0.2 . 1 . . . . 59 GLY N . 17064 1 180 . 1 1 60 60 LYS C C 13 175.4 0.2 . 1 . . . . 60 LYS C . 17064 1 181 . 1 1 60 60 LYS CA C 13 54.0 0.2 . 1 . . . . 60 LYS CA . 17064 1 182 . 1 1 60 60 LYS CB C 13 36.6 0.2 . 1 . . . . 60 LYS CB . 17064 1 183 . 1 1 60 60 LYS CD C 13 30.0 0.2 . 1 . . . . 60 LYS CD . 17064 1 184 . 1 1 60 60 LYS CE C 13 41.9 0.2 . 1 . . . . 60 LYS CE . 17064 1 185 . 1 1 60 60 LYS CG C 13 24.2 0.2 . 1 . . . . 60 LYS CG . 17064 1 186 . 1 1 60 60 LYS N N 15 114.1 0.2 . 1 . . . . 60 LYS N . 17064 1 187 . 1 1 60 60 LYS NZ N 15 33.4 0.2 . 1 . . . . 60 LYS NZ . 17064 1 188 . 1 1 61 61 VAL C C 13 171.6 0.2 . 1 . . . . 61 VAL C . 17064 1 189 . 1 1 61 61 VAL CA C 13 60.1 0.2 . 1 . . . . 61 VAL CA . 17064 1 190 . 1 1 61 61 VAL CB C 13 35.9 0.2 . 1 . . . . 61 VAL CB . 17064 1 191 . 1 1 61 61 VAL CG1 C 13 21.4 0.2 . 2 . . . . 61 VAL CG1 . 17064 1 192 . 1 1 61 61 VAL CG2 C 13 20.7 0.2 . 2 . . . . 61 VAL CG2 . 17064 1 193 . 1 1 61 61 VAL N N 15 120.5 0.2 . 1 . . . . 61 VAL N . 17064 1 194 . 1 1 62 62 GLU C C 13 175.9 0.2 . 1 . . . . 62 GLU C . 17064 1 195 . 1 1 62 62 GLU CA C 13 56.7 0.2 . 1 . . . . 62 GLU CA . 17064 1 196 . 1 1 62 62 GLU CB C 13 29.9 0.2 . 1 . . . . 62 GLU CB . 17064 1 197 . 1 1 62 62 GLU CD C 13 183.6 0.2 . 1 . . . . 62 GLU CD . 17064 1 198 . 1 1 62 62 GLU CG C 13 36.3 0.2 . 1 . . . . 62 GLU CG . 17064 1 199 . 1 1 62 62 GLU N N 15 128.1 0.2 . 1 . . . . 62 GLU N . 17064 1 200 . 1 1 63 63 ALA C C 13 176.6 0.2 . 1 . . . . 63 ALA C . 17064 1 201 . 1 1 63 63 ALA CA C 13 52.3 0.2 . 1 . . . . 63 ALA CA . 17064 1 202 . 1 1 63 63 ALA CB C 13 21.7 0.2 . 1 . . . . 63 ALA CB . 17064 1 203 . 1 1 63 63 ALA N N 15 128.8 0.2 . 1 . . . . 63 ALA N . 17064 1 204 . 1 1 64 64 ALA C C 13 177.7 0.2 . 1 . . . . 64 ALA C . 17064 1 205 . 1 1 64 64 ALA CA C 13 53.0 0.2 . 1 . . . . 64 ALA CA . 17064 1 206 . 1 1 64 64 ALA CB C 13 18.1 0.2 . 1 . . . . 64 ALA CB . 17064 1 207 . 1 1 64 64 ALA N N 15 127.2 0.2 . 1 . . . . 64 ALA N . 17064 1 208 . 1 1 65 65 GLY C C 13 173.2 0.2 . 1 . . . . 65 GLY C . 17064 1 209 . 1 1 65 65 GLY CA C 13 46.1 0.2 . 1 . . . . 65 GLY CA . 17064 1 210 . 1 1 65 65 GLY N N 15 103.8 0.2 . 1 . . . . 65 GLY N . 17064 1 211 . 1 1 66 66 GLN C C 13 172.4 0.2 . 1 . . . . 66 GLN C . 17064 1 212 . 1 1 66 66 GLN CA C 13 53.0 0.2 . 1 . . . . 66 GLN CA . 17064 1 213 . 1 1 66 66 GLN CB C 13 29.9 0.2 . 1 . . . . 66 GLN CB . 17064 1 214 . 1 1 66 66 GLN CD C 13 179.3 0.2 . 1 . . . . 66 GLN CD . 17064 1 215 . 1 1 66 66 GLN N N 15 117.9 0.2 . 1 . . . . 66 GLN N . 17064 1 216 . 1 1 67 67 ILE C C 13 176.5 0.2 . 1 . . . . 67 ILE C . 17064 1 217 . 1 1 67 67 ILE CA C 13 59.2 0.2 . 1 . . . . 67 ILE CA . 17064 1 218 . 1 1 67 67 ILE CB C 13 36.2 0.2 . 1 . . . . 67 ILE CB . 17064 1 219 . 1 1 67 67 ILE CD1 C 13 10.1 0.2 . 1 . . . . 67 ILE CD1 . 17064 1 220 . 1 1 67 67 ILE CG1 C 13 26.2 0.2 . 1 . . . . 67 ILE CG1 . 17064 1 221 . 1 1 67 67 ILE CG2 C 13 18.3 0.2 . 1 . . . . 67 ILE CG2 . 17064 1 222 . 1 1 67 67 ILE N N 15 119.1 0.2 . 1 . . . . 67 ILE N . 17064 1 223 . 1 1 68 68 ALA C C 13 177.3 0.2 . 1 . . . . 68 ALA C . 17064 1 224 . 1 1 68 68 ALA CA C 13 51.0 0.2 . 1 . . . . 68 ALA CA . 17064 1 225 . 1 1 68 68 ALA CB C 13 17.7 0.2 . 1 . . . . 68 ALA CB . 17064 1 226 . 1 1 68 68 ALA N N 15 134.2 0.2 . 1 . . . . 68 ALA N . 17064 1 227 . 1 1 69 69 HIS C C 13 176.2 0.2 . 1 . . . . 69 HIS C . 17064 1 228 . 1 1 69 69 HIS CA C 13 55.3 0.2 . 1 . . . . 69 HIS CA . 17064 1 229 . 1 1 69 69 HIS CB C 13 25.3 0.2 . 1 . . . . 69 HIS CB . 17064 1 230 . 1 1 69 69 HIS CG C 13 128.8 0.2 . 1 . . . . 69 HIS CG . 17064 1 231 . 1 1 69 69 HIS N N 15 129.4 0.2 . 1 . . . . 69 HIS N . 17064 1 232 . 1 1 70 70 TYR C C 13 177.4 0.2 . 1 . . . . 70 TYR C . 17064 1 233 . 1 1 70 70 TYR CA C 13 60.0 0.2 . 1 . . . . 70 TYR CA . 17064 1 234 . 1 1 70 70 TYR CB C 13 37.0 0.2 . 1 . . . . 70 TYR CB . 17064 1 235 . 1 1 70 70 TYR N N 15 121.5 0.2 . 1 . . . . 70 TYR N . 17064 1 236 . 1 1 71 71 ALA C C 13 178.8 0.2 . 1 . . . . 71 ALA C . 17064 1 237 . 1 1 71 71 ALA CA C 13 55.3 0.2 . 1 . . . . 71 ALA CA . 17064 1 238 . 1 1 71 71 ALA CB C 13 17.3 0.2 . 1 . . . . 71 ALA CB . 17064 1 239 . 1 1 71 71 ALA N N 15 124.8 0.2 . 1 . . . . 71 ALA N . 17064 1 240 . 1 1 72 72 ARG C C 13 176.0 0.2 . 1 . . . . 72 ARG C . 17064 1 241 . 1 1 72 72 ARG CA C 13 59.5 0.2 . 1 . . . . 72 ARG CA . 17064 1 242 . 1 1 72 72 ARG CB C 13 28.8 0.2 . 1 . . . . 72 ARG CB . 17064 1 243 . 1 1 72 72 ARG CD C 13 43.9 0.2 . 1 . . . . 72 ARG CD . 17064 1 244 . 1 1 72 72 ARG CG C 13 27.7 0.2 . 1 . . . . 72 ARG CG . 17064 1 245 . 1 1 72 72 ARG CZ C 13 159.5 0.2 . 1 . . . . 72 ARG CZ . 17064 1 246 . 1 1 72 72 ARG N N 15 113.9 0.2 . 1 . . . . 72 ARG N . 17064 1 247 . 1 1 72 72 ARG NE N 15 83.3 0.2 . 1 . . . . 72 ARG NE . 17064 1 248 . 1 1 72 72 ARG NH1 N 15 77.3 0.2 . 2 . . . . 72 ARG NH1 . 17064 1 249 . 1 1 72 72 ARG NH2 N 15 69.7 0.2 . 2 . . . . 72 ARG NH2 . 17064 1 250 . 1 1 73 73 TYR C C 13 177.3 0.2 . 1 . . . . 73 TYR C . 17064 1 251 . 1 1 73 73 TYR CA C 13 59.8 0.2 . 1 . . . . 73 TYR CA . 17064 1 252 . 1 1 73 73 TYR CB C 13 37.9 0.2 . 1 . . . . 73 TYR CB . 17064 1 253 . 1 1 73 73 TYR CG C 13 128.6 0.2 . 1 . . . . 73 TYR CG . 17064 1 254 . 1 1 73 73 TYR CZ C 13 158.1 0.2 . 1 . . . . 73 TYR CZ . 17064 1 255 . 1 1 73 73 TYR N N 15 112.6 0.2 . 1 . . . . 73 TYR N . 17064 1 256 . 1 1 74 74 ILE C C 13 177.1 0.2 . 1 . . . . 74 ILE C . 17064 1 257 . 1 1 74 74 ILE CA C 13 66.0 0.2 . 1 . . . . 74 ILE CA . 17064 1 258 . 1 1 74 74 ILE CB C 13 37.7 0.2 . 1 . . . . 74 ILE CB . 17064 1 259 . 1 1 74 74 ILE CD1 C 13 14.6 0.2 . 1 . . . . 74 ILE CD1 . 17064 1 260 . 1 1 74 74 ILE CG1 C 13 29.4 0.2 . 1 . . . . 74 ILE CG1 . 17064 1 261 . 1 1 74 74 ILE CG2 C 13 17.6 0.2 . 1 . . . . 74 ILE CG2 . 17064 1 262 . 1 1 74 74 ILE N N 15 119.8 0.2 . 1 . . . . 74 ILE N . 17064 1 263 . 1 1 75 75 ASP C C 13 178.3 0.2 . 1 . . . . 75 ASP C . 17064 1 264 . 1 1 75 75 ASP CA C 13 56.1 0.2 . 1 . . . . 75 ASP CA . 17064 1 265 . 1 1 75 75 ASP CB C 13 40.9 0.2 . 1 . . . . 75 ASP CB . 17064 1 266 . 1 1 75 75 ASP CG C 13 178.7 0.2 . 1 . . . . 75 ASP CG . 17064 1 267 . 1 1 75 75 ASP N N 15 116.1 0.2 . 1 . . . . 75 ASP N . 17064 1 268 . 1 1 76 76 TRP C C 13 179.6 0.2 . 1 . . . . 76 TRP C . 17064 1 269 . 1 1 76 76 TRP CA C 13 56.6 0.2 . 1 . . . . 76 TRP CA . 17064 1 270 . 1 1 76 76 TRP CB C 13 30.1 0.2 . 1 . . . . 76 TRP CB . 17064 1 271 . 1 1 76 76 TRP CD1 C 13 124.5 0.2 . 2 . . . . 76 TRP CD1 . 17064 1 272 . 1 1 76 76 TRP CE2 C 13 139.2 0.2 . 1 . . . . 76 TRP CE2 . 17064 1 273 . 1 1 76 76 TRP CG C 13 113.7 0.2 . 1 . . . . 76 TRP CG . 17064 1 274 . 1 1 76 76 TRP N N 15 114.7 0.2 . 1 . . . . 76 TRP N . 17064 1 275 . 1 1 76 76 TRP NE1 N 15 128.1 0.2 . 1 . . . . 76 TRP NE1 . 17064 1 276 . 1 1 77 77 MET C C 13 172.8 0.2 . 1 . . . . 77 MET C . 17064 1 277 . 1 1 77 77 MET CA C 13 58.1 0.2 . 1 . . . . 77 MET CA . 17064 1 278 . 1 1 77 77 MET CB C 13 32.4 0.2 . 1 . . . . 77 MET CB . 17064 1 279 . 1 1 77 77 MET CG C 13 31.6 0.2 . 1 . . . . 77 MET CG . 17064 1 280 . 1 1 77 77 MET N N 15 125.4 0.2 . 1 . . . . 77 MET N . 17064 1 281 . 1 1 78 78 VAL C C 13 178.7 0.2 . 1 . . . . 78 VAL C . 17064 1 282 . 1 1 78 78 VAL CA C 13 63.4 0.2 . 1 . . . . 78 VAL CA . 17064 1 283 . 1 1 78 78 VAL CB C 13 34.5 0.2 . 1 . . . . 78 VAL CB . 17064 1 284 . 1 1 78 78 VAL CG1 C 13 22.4 0.2 . 2 . . . . 78 VAL CG1 . 17064 1 285 . 1 1 78 78 VAL CG2 C 13 21.2 0.2 . 2 . . . . 78 VAL CG2 . 17064 1 286 . 1 1 78 78 VAL N N 15 109.6 0.2 . 1 . . . . 78 VAL N . 17064 1 287 . 1 1 79 79 THR C C 13 177.6 0.2 . 1 . . . . 79 THR C . 17064 1 288 . 1 1 79 79 THR CA C 13 66.1 0.2 . 1 . . . . 79 THR CA . 17064 1 289 . 1 1 79 79 THR CB C 13 70.5 0.2 . 1 . . . . 79 THR CB . 17064 1 290 . 1 1 79 79 THR CG2 C 13 24.5 0.2 . 1 . . . . 79 THR CG2 . 17064 1 291 . 1 1 79 79 THR N N 15 107.3 0.2 . 1 . . . . 79 THR N . 17064 1 292 . 1 1 80 80 THR C C 13 176.6 0.2 . 1 . . . . 80 THR C . 17064 1 293 . 1 1 80 80 THR CA C 13 67.0 0.2 . 1 . . . . 80 THR CA . 17064 1 294 . 1 1 80 80 THR CB C 13 68.1 0.2 . 1 . . . . 80 THR CB . 17064 1 295 . 1 1 80 80 THR CG2 C 13 23.7 0.2 . 1 . . . . 80 THR CG2 . 17064 1 296 . 1 1 80 80 THR N N 15 112.7 0.2 . 1 . . . . 80 THR N . 17064 1 297 . 1 1 81 81 PRO C C 13 178.9 0.2 . 1 . . . . 81 PRO C . 17064 1 298 . 1 1 81 81 PRO CA C 13 66.9 0.2 . 1 . . . . 81 PRO CA . 17064 1 299 . 1 1 81 81 PRO CB C 13 31.9 0.2 . 1 . . . . 81 PRO CB . 17064 1 300 . 1 1 81 81 PRO CD C 13 51.0 0.2 . 1 . . . . 81 PRO CD . 17064 1 301 . 1 1 81 81 PRO CG C 13 29.0 0.2 . 1 . . . . 81 PRO CG . 17064 1 302 . 1 1 81 81 PRO N N 15 137.6 0.2 . 1 . . . . 81 PRO N . 17064 1 303 . 1 1 82 82 LEU C C 13 177.7 0.2 . 1 . . . . 82 LEU C . 17064 1 304 . 1 1 82 82 LEU CA C 13 57.8 0.2 . 1 . . . . 82 LEU CA . 17064 1 305 . 1 1 82 82 LEU CB C 13 41.1 0.2 . 1 . . . . 82 LEU CB . 17064 1 306 . 1 1 82 82 LEU CD1 C 13 26.4 0.2 . 2 . . . . 82 LEU CD1 . 17064 1 307 . 1 1 82 82 LEU CD2 C 13 22.3 0.2 . 2 . . . . 82 LEU CD2 . 17064 1 308 . 1 1 82 82 LEU CG C 13 27.2 0.2 . 1 . . . . 82 LEU CG . 17064 1 309 . 1 1 82 82 LEU N N 15 113.6 0.2 . 1 . . . . 82 LEU N . 17064 1 310 . 1 1 83 83 LEU C C 13 179.4 0.2 . 1 . . . . 83 LEU C . 17064 1 311 . 1 1 83 83 LEU CA C 13 58.2 0.2 . 1 . . . . 83 LEU CA . 17064 1 312 . 1 1 83 83 LEU CB C 13 43.2 0.2 . 1 . . . . 83 LEU CB . 17064 1 313 . 1 1 83 83 LEU CD1 C 13 27.6 0.2 . 2 . . . . 83 LEU CD1 . 17064 1 314 . 1 1 83 83 LEU CD2 C 13 24.4 0.2 . 2 . . . . 83 LEU CD2 . 17064 1 315 . 1 1 83 83 LEU CG C 13 27.9 0.2 . 1 . . . . 83 LEU CG . 17064 1 316 . 1 1 83 83 LEU N N 15 120.8 0.2 . 1 . . . . 83 LEU N . 17064 1 317 . 1 1 84 84 LEU C C 13 179.4 0.2 . 1 . . . . 84 LEU C . 17064 1 318 . 1 1 84 84 LEU CA C 13 57.9 0.2 . 1 . . . . 84 LEU CA . 17064 1 319 . 1 1 84 84 LEU CB C 13 41.9 0.2 . 1 . . . . 84 LEU CB . 17064 1 320 . 1 1 84 84 LEU CD2 C 13 24.0 0.2 . 2 . . . . 84 LEU CD2 . 17064 1 321 . 1 1 84 84 LEU CG C 13 27.8 0.2 . 1 . . . . 84 LEU CG . 17064 1 322 . 1 1 84 84 LEU N N 15 118.4 0.2 . 1 . . . . 84 LEU N . 17064 1 323 . 1 1 85 85 LEU C C 13 176.9 0.2 . 1 . . . . 85 LEU C . 17064 1 324 . 1 1 85 85 LEU CA C 13 58.2 0.2 . 1 . . . . 85 LEU CA . 17064 1 325 . 1 1 85 85 LEU CB C 13 40.5 0.2 . 1 . . . . 85 LEU CB . 17064 1 326 . 1 1 85 85 LEU CD2 C 13 24.9 0.2 . 2 . . . . 85 LEU CD2 . 17064 1 327 . 1 1 85 85 LEU CG C 13 27.5 0.2 . 1 . . . . 85 LEU CG . 17064 1 328 . 1 1 85 85 LEU N N 15 126.9 0.2 . 1 . . . . 85 LEU N . 17064 1 329 . 1 1 86 86 SER C C 13 178.5 0.2 . 1 . . . . 86 SER C . 17064 1 330 . 1 1 86 86 SER CA C 13 64.4 0.2 . 1 . . . . 86 SER CA . 17064 1 331 . 1 1 86 86 SER CB C 13 63.6 0.2 . 1 . . . . 86 SER CB . 17064 1 332 . 1 1 86 86 SER N N 15 116.1 0.2 . 1 . . . . 86 SER N . 17064 1 333 . 1 1 87 87 LEU C C 13 178.4 0.2 . 1 . . . . 87 LEU C . 17064 1 334 . 1 1 87 87 LEU CA C 13 58.1 0.2 . 1 . . . . 87 LEU CA . 17064 1 335 . 1 1 87 87 LEU CB C 13 42.0 0.2 . 1 . . . . 87 LEU CB . 17064 1 336 . 1 1 87 87 LEU CD1 C 13 24.7 0.2 . 2 . . . . 87 LEU CD1 . 17064 1 337 . 1 1 87 87 LEU CD2 C 13 22.5 0.2 . 2 . . . . 87 LEU CD2 . 17064 1 338 . 1 1 87 87 LEU CG C 13 26.4 0.2 . 1 . . . . 87 LEU CG . 17064 1 339 . 1 1 87 87 LEU N N 15 122.0 0.2 . 1 . . . . 87 LEU N . 17064 1 340 . 1 1 88 88 SER C C 13 176.5 0.2 . 1 . . . . 88 SER C . 17064 1 341 . 1 1 88 88 SER CA C 13 62.9 0.2 . 1 . . . . 88 SER CA . 17064 1 342 . 1 1 88 88 SER N N 15 117.0 0.2 . 1 . . . . 88 SER N . 17064 1 343 . 1 1 89 89 TRP C C 13 180.0 0.2 . 1 . . . . 89 TRP C . 17064 1 344 . 1 1 89 89 TRP CA C 13 58.6 0.2 . 1 . . . . 89 TRP CA . 17064 1 345 . 1 1 89 89 TRP CB C 13 28.3 0.2 . 1 . . . . 89 TRP CB . 17064 1 346 . 1 1 89 89 TRP CG C 13 115.6 0.2 . 1 . . . . 89 TRP CG . 17064 1 347 . 1 1 89 89 TRP N N 15 122.8 0.2 . 1 . . . . 89 TRP N . 17064 1 348 . 1 1 90 90 THR C C 13 175.3 0.2 . 1 . . . . 90 THR C . 17064 1 349 . 1 1 90 90 THR CA C 13 69.2 0.2 . 1 . . . . 90 THR CA . 17064 1 350 . 1 1 90 90 THR CB C 13 66.7 0.2 . 1 . . . . 90 THR CB . 17064 1 351 . 1 1 90 90 THR CG2 C 13 21.7 0.2 . 1 . . . . 90 THR CG2 . 17064 1 352 . 1 1 90 90 THR N N 15 118.8 0.2 . 1 . . . . 90 THR N . 17064 1 353 . 1 1 91 91 ALA C C 13 177.3 0.2 . 1 . . . . 91 ALA C . 17064 1 354 . 1 1 91 91 ALA CA C 13 54.2 0.2 . 1 . . . . 91 ALA CA . 17064 1 355 . 1 1 91 91 ALA CB C 13 18.9 0.2 . 1 . . . . 91 ALA CB . 17064 1 356 . 1 1 91 91 ALA N N 15 120.2 0.2 . 1 . . . . 91 ALA N . 17064 1 357 . 1 1 92 92 MET C C 13 176.8 0.2 . 1 . . . . 92 MET C . 17064 1 358 . 1 1 92 92 MET CA C 13 53.4 0.2 . 1 . . . . 92 MET CA . 17064 1 359 . 1 1 92 92 MET CB C 13 34.2 0.2 . 1 . . . . 92 MET CB . 17064 1 360 . 1 1 92 92 MET CG C 13 33.2 0.2 . 1 . . . . 92 MET CG . 17064 1 361 . 1 1 92 92 MET N N 15 108.9 0.2 . 1 . . . . 92 MET N . 17064 1 362 . 1 1 102 102 ILE C C 13 177.8 0.2 . 1 . . . . 102 ILE C . 17064 1 363 . 1 1 102 102 ILE CA C 13 66.5 0.2 . 1 . . . . 102 ILE CA . 17064 1 364 . 1 1 102 102 ILE CB C 13 38.3 0.2 . 1 . . . . 102 ILE CB . 17064 1 365 . 1 1 102 102 ILE CG1 C 13 29.6 0.2 . 1 . . . . 102 ILE CG1 . 17064 1 366 . 1 1 102 102 ILE CG2 C 13 19.2 0.2 . 1 . . . . 102 ILE CG2 . 17064 1 367 . 1 1 102 102 ILE N N 15 117.1 0.2 . 1 . . . . 102 ILE N . 17064 1 368 . 1 1 103 103 GLY C C 13 176.3 0.2 . 1 . . . . 103 GLY C . 17064 1 369 . 1 1 103 103 GLY CA C 13 47.6 0.2 . 1 . . . . 103 GLY CA . 17064 1 370 . 1 1 103 103 GLY N N 15 107.5 0.2 . 1 . . . . 103 GLY N . 17064 1 371 . 1 1 104 104 PHE CA C 13 59.7 0.2 . 1 . . . . 104 PHE CA . 17064 1 372 . 1 1 104 104 PHE N N 15 125.3 0.2 . 1 . . . . 104 PHE N . 17064 1 373 . 1 1 106 106 MET C C 13 177.3 0.2 . 1 . . . . 106 MET C . 17064 1 374 . 1 1 106 106 MET CA C 13 61.3 0.2 . 1 . . . . 106 MET CA . 17064 1 375 . 1 1 106 106 MET CB C 13 35.2 0.2 . 1 . . . . 106 MET CB . 17064 1 376 . 1 1 106 106 MET CG C 13 31.6 0.2 . 1 . . . . 106 MET CG . 17064 1 377 . 1 1 106 106 MET N N 15 113.9 0.2 . 1 . . . . 106 MET N . 17064 1 378 . 1 1 107 107 SER C C 13 176.7 0.2 . 1 . . . . 107 SER C . 17064 1 379 . 1 1 107 107 SER CA C 13 62.4 0.2 . 1 . . . . 107 SER CA . 17064 1 380 . 1 1 107 107 SER N N 15 111.8 0.2 . 1 . . . . 107 SER N . 17064 1 381 . 1 1 108 108 THR C C 13 177.0 0.2 . 1 . . . . 108 THR C . 17064 1 382 . 1 1 108 108 THR CA C 13 68.4 0.2 . 1 . . . . 108 THR CA . 17064 1 383 . 1 1 108 108 THR CB C 13 67.6 0.2 . 1 . . . . 108 THR CB . 17064 1 384 . 1 1 108 108 THR CG2 C 13 23.1 0.2 . 1 . . . . 108 THR CG2 . 17064 1 385 . 1 1 108 108 THR N N 15 121.1 0.2 . 1 . . . . 108 THR N . 17064 1 386 . 1 1 109 109 GLN C C 13 178.4 0.2 . 1 . . . . 109 GLN C . 17064 1 387 . 1 1 109 109 GLN CA C 13 57.3 0.2 . 1 . . . . 109 GLN CA . 17064 1 388 . 1 1 109 109 GLN CB C 13 26.7 0.2 . 1 . . . . 109 GLN CB . 17064 1 389 . 1 1 109 109 GLN CD C 13 175.0 0.2 . 1 . . . . 109 GLN CD . 17064 1 390 . 1 1 109 109 GLN CG C 13 31.3 0.2 . 1 . . . . 109 GLN CG . 17064 1 391 . 1 1 109 109 GLN N N 15 122.0 0.2 . 1 . . . . 109 GLN N . 17064 1 392 . 1 1 109 109 GLN NE2 N 15 98.3 0.2 . 1 . . . . 109 GLN NE2 . 17064 1 393 . 1 1 110 110 ILE C C 13 180.4 0.2 . 1 . . . . 110 ILE C . 17064 1 394 . 1 1 110 110 ILE CA C 13 64.1 0.2 . 1 . . . . 110 ILE CA . 17064 1 395 . 1 1 110 110 ILE CB C 13 36.6 0.2 . 1 . . . . 110 ILE CB . 17064 1 396 . 1 1 110 110 ILE CG1 C 13 28.9 0.2 . 1 . . . . 110 ILE CG1 . 17064 1 397 . 1 1 110 110 ILE CG2 C 13 17.5 0.2 . 1 . . . . 110 ILE CG2 . 17064 1 398 . 1 1 110 110 ILE N N 15 120.2 0.2 . 1 . . . . 110 ILE N . 17064 1 399 . 1 1 111 111 VAL C C 13 178.5 0.2 . 1 . . . . 111 VAL C . 17064 1 400 . 1 1 111 111 VAL CA C 13 67.8 0.2 . 1 . . . . 111 VAL CA . 17064 1 401 . 1 1 111 111 VAL CB C 13 30.9 0.2 . 1 . . . . 111 VAL CB . 17064 1 402 . 1 1 111 111 VAL CG1 C 13 22.7 0.2 . 2 . . . . 111 VAL CG1 . 17064 1 403 . 1 1 111 111 VAL CG2 C 13 21.4 0.2 . 2 . . . . 111 VAL CG2 . 17064 1 404 . 1 1 111 111 VAL N N 15 123.4 0.2 . 1 . . . . 111 VAL N . 17064 1 405 . 1 1 112 112 VAL C C 13 177.1 0.2 . 1 . . . . 112 VAL C . 17064 1 406 . 1 1 112 112 VAL CA C 13 67.5 0.2 . 1 . . . . 112 VAL CA . 17064 1 407 . 1 1 112 112 VAL CB C 13 31.8 0.2 . 1 . . . . 112 VAL CB . 17064 1 408 . 1 1 112 112 VAL CG1 C 13 22.1 0.2 . 2 . . . . 112 VAL CG1 . 17064 1 409 . 1 1 112 112 VAL CG2 C 13 21.8 0.2 . 2 . . . . 112 VAL CG2 . 17064 1 410 . 1 1 112 112 VAL N N 15 121.5 0.2 . 1 . . . . 112 VAL N . 17064 1 411 . 1 1 113 113 ILE C C 13 178.3 0.2 . 1 . . . . 113 ILE C . 17064 1 412 . 1 1 113 113 ILE CA C 13 61.6 0.2 . 1 . . . . 113 ILE CA . 17064 1 413 . 1 1 113 113 ILE CB C 13 34.7 0.2 . 1 . . . . 113 ILE CB . 17064 1 414 . 1 1 113 113 ILE CD1 C 13 8.9 0.2 . 1 . . . . 113 ILE CD1 . 17064 1 415 . 1 1 113 113 ILE CG1 C 13 25.6 0.2 . 1 . . . . 113 ILE CG1 . 17064 1 416 . 1 1 113 113 ILE CG2 C 13 20.7 0.2 . 1 . . . . 113 ILE CG2 . 17064 1 417 . 1 1 113 113 ILE N N 15 113.3 0.2 . 1 . . . . 113 ILE N . 17064 1 418 . 1 1 114 114 THR C C 13 175.9 0.2 . 1 . . . . 114 THR C . 17064 1 419 . 1 1 114 114 THR CA C 13 68.8 0.2 . 1 . . . . 114 THR CA . 17064 1 420 . 1 1 114 114 THR CB C 13 68.0 0.2 . 1 . . . . 114 THR CB . 17064 1 421 . 1 1 114 114 THR CG2 C 13 22.2 0.2 . 1 . . . . 114 THR CG2 . 17064 1 422 . 1 1 114 114 THR N N 15 118.1 0.2 . 1 . . . . 114 THR N . 17064 1 423 . 1 1 115 115 SER C C 13 175.7 0.2 . 1 . . . . 115 SER C . 17064 1 424 . 1 1 115 115 SER CA C 13 63.9 0.2 . 1 . . . . 115 SER CA . 17064 1 425 . 1 1 115 115 SER CB C 13 62.4 0.2 . 1 . . . . 115 SER CB . 17064 1 426 . 1 1 115 115 SER N N 15 116.4 0.2 . 1 . . . . 115 SER N . 17064 1 427 . 1 1 116 116 GLY C C 13 173.1 0.2 . 1 . . . . 116 GLY C . 17064 1 428 . 1 1 116 116 GLY CA C 13 47.8 0.2 . 1 . . . . 116 GLY CA . 17064 1 429 . 1 1 116 116 GLY N N 15 106.7 0.2 . 1 . . . . 116 GLY N . 17064 1 430 . 1 1 117 117 LEU C C 13 176.7 0.2 . 1 . . . . 117 LEU C . 17064 1 431 . 1 1 117 117 LEU CA C 13 57.4 0.2 . 1 . . . . 117 LEU CA . 17064 1 432 . 1 1 117 117 LEU CB C 13 41.0 0.2 . 1 . . . . 117 LEU CB . 17064 1 433 . 1 1 117 117 LEU CD1 C 13 26.4 0.2 . 2 . . . . 117 LEU CD1 . 17064 1 434 . 1 1 117 117 LEU CD2 C 13 23.2 0.2 . 2 . . . . 117 LEU CD2 . 17064 1 435 . 1 1 117 117 LEU CG C 13 27.5 0.2 . 1 . . . . 117 LEU CG . 17064 1 436 . 1 1 117 117 LEU N N 15 123.2 0.2 . 1 . . . . 117 LEU N . 17064 1 437 . 1 1 118 118 ILE C C 13 180.1 0.2 . 1 . . . . 118 ILE C . 17064 1 438 . 1 1 118 118 ILE CA C 13 65.3 0.2 . 1 . . . . 118 ILE CA . 17064 1 439 . 1 1 118 118 ILE CB C 13 36.9 0.2 . 1 . . . . 118 ILE CB . 17064 1 440 . 1 1 118 118 ILE CD1 C 13 15.0 0.2 . 1 . . . . 118 ILE CD1 . 17064 1 441 . 1 1 118 118 ILE CG1 C 13 27.6 0.2 . 1 . . . . 118 ILE CG1 . 17064 1 442 . 1 1 118 118 ILE CG2 C 13 19.5 0.2 . 1 . . . . 118 ILE CG2 . 17064 1 443 . 1 1 118 118 ILE N N 15 116.5 0.2 . 1 . . . . 118 ILE N . 17064 1 444 . 1 1 119 119 ALA C C 13 179.4 0.2 . 1 . . . . 119 ALA C . 17064 1 445 . 1 1 119 119 ALA CA C 13 56.1 0.2 . 1 . . . . 119 ALA CA . 17064 1 446 . 1 1 119 119 ALA CB C 13 19.6 0.2 . 1 . . . . 119 ALA CB . 17064 1 447 . 1 1 119 119 ALA N N 15 122.8 0.2 . 1 . . . . 119 ALA N . 17064 1 448 . 1 1 120 120 ASP C C 13 179.0 0.2 . 1 . . . . 120 ASP C . 17064 1 449 . 1 1 120 120 ASP CA C 13 54.1 0.2 . 1 . . . . 120 ASP CA . 17064 1 450 . 1 1 120 120 ASP CB C 13 40.7 0.2 . 1 . . . . 120 ASP CB . 17064 1 451 . 1 1 120 120 ASP CG C 13 181.1 0.2 . 1 . . . . 120 ASP CG . 17064 1 452 . 1 1 120 120 ASP N N 15 112.9 0.2 . 1 . . . . 120 ASP N . 17064 1 453 . 1 1 121 121 LEU C C 13 176.6 0.2 . 1 . . . . 121 LEU C . 17064 1 454 . 1 1 121 121 LEU CA C 13 54.4 0.2 . 1 . . . . 121 LEU CA . 17064 1 455 . 1 1 121 121 LEU CB C 13 43.1 0.2 . 1 . . . . 121 LEU CB . 17064 1 456 . 1 1 121 121 LEU CD1 C 13 25.5 0.2 . 2 . . . . 121 LEU CD1 . 17064 1 457 . 1 1 121 121 LEU CD2 C 13 21.8 0.2 . 2 . . . . 121 LEU CD2 . 17064 1 458 . 1 1 121 121 LEU CG C 13 25.8 0.2 . 1 . . . . 121 LEU CG . 17064 1 459 . 1 1 121 121 LEU N N 15 115.2 0.2 . 1 . . . . 121 LEU N . 17064 1 460 . 1 1 122 122 SER C C 13 174.3 0.2 . 1 . . . . 122 SER C . 17064 1 461 . 1 1 122 122 SER CA C 13 61.7 0.2 . 1 . . . . 122 SER CA . 17064 1 462 . 1 1 122 122 SER CB C 13 63.8 0.2 . 1 . . . . 122 SER CB . 17064 1 463 . 1 1 122 122 SER N N 15 115.2 0.2 . 1 . . . . 122 SER N . 17064 1 464 . 1 1 123 123 GLU CA C 13 55.4 0.2 . 1 . . . . 123 GLU CA . 17064 1 465 . 1 1 123 123 GLU N N 15 122.3 0.2 . 1 . . . . 123 GLU N . 17064 1 466 . 1 1 126 126 TRP C C 13 176.3 0.2 . 1 . . . . 126 TRP C . 17064 1 467 . 1 1 126 126 TRP CA C 13 60.0 0.2 . 1 . . . . 126 TRP CA . 17064 1 468 . 1 1 126 126 TRP CB C 13 27.4 0.2 . 1 . . . . 126 TRP CB . 17064 1 469 . 1 1 126 126 TRP CG C 13 111.6 0.2 . 1 . . . . 126 TRP CG . 17064 1 470 . 1 1 126 126 TRP N N 15 115.8 0.2 . 1 . . . . 126 TRP N . 17064 1 471 . 1 1 127 127 VAL C C 13 176.9 0.2 . 1 . . . . 127 VAL C . 17064 1 472 . 1 1 127 127 VAL CA C 13 65.8 0.2 . 1 . . . . 127 VAL CA . 17064 1 473 . 1 1 127 127 VAL CB C 13 31.7 0.2 . 1 . . . . 127 VAL CB . 17064 1 474 . 1 1 127 127 VAL CG1 C 13 22.6 0.2 . 2 . . . . 127 VAL CG1 . 17064 1 475 . 1 1 127 127 VAL CG2 C 13 20.4 0.2 . 2 . . . . 127 VAL CG2 . 17064 1 476 . 1 1 127 127 VAL N N 15 122.2 0.2 . 1 . . . . 127 VAL N . 17064 1 477 . 1 1 128 128 ARG C C 13 178.8 0.2 . 1 . . . . 128 ARG C . 17064 1 478 . 1 1 128 128 ARG CA C 13 60.4 0.2 . 1 . . . . 128 ARG CA . 17064 1 479 . 1 1 128 128 ARG CB C 13 30.7 0.2 . 1 . . . . 128 ARG CB . 17064 1 480 . 1 1 128 128 ARG N N 15 119.7 0.2 . 1 . . . . 128 ARG N . 17064 1 481 . 1 1 130 130 LEU C C 13 178.5 0.2 . 1 . . . . 130 LEU C . 17064 1 482 . 1 1 130 130 LEU CA C 13 59.4 0.2 . 1 . . . . 130 LEU CA . 17064 1 483 . 1 1 130 130 LEU CB C 13 42.3 0.2 . 1 . . . . 130 LEU CB . 17064 1 484 . 1 1 130 130 LEU CD1 C 13 27.5 0.2 . 2 . . . . 130 LEU CD1 . 17064 1 485 . 1 1 130 130 LEU CD2 C 13 25.9 0.2 . 2 . . . . 130 LEU CD2 . 17064 1 486 . 1 1 130 130 LEU CG C 13 27.7 0.2 . 1 . . . . 130 LEU CG . 17064 1 487 . 1 1 130 130 LEU N N 15 123.1 0.2 . 1 . . . . 130 LEU N . 17064 1 488 . 1 1 131 131 TRP C C 13 178.9 0.2 . 1 . . . . 131 TRP C . 17064 1 489 . 1 1 131 131 TRP CA C 13 61.4 0.2 . 1 . . . . 131 TRP CA . 17064 1 490 . 1 1 131 131 TRP CB C 13 29.5 0.2 . 1 . . . . 131 TRP CB . 17064 1 491 . 1 1 131 131 TRP CD1 C 13 129.0 0.2 . 2 . . . . 131 TRP CD1 . 17064 1 492 . 1 1 131 131 TRP CG C 13 111.6 0.2 . 1 . . . . 131 TRP CG . 17064 1 493 . 1 1 131 131 TRP N N 15 119.5 0.2 . 1 . . . . 131 TRP N . 17064 1 494 . 1 1 132 132 TYR C C 13 176.7 0.2 . 1 . . . . 132 TYR C . 17064 1 495 . 1 1 132 132 TYR CA C 13 62.4 0.2 . 1 . . . . 132 TYR CA . 17064 1 496 . 1 1 132 132 TYR CB C 13 38.4 0.2 . 1 . . . . 132 TYR CB . 17064 1 497 . 1 1 132 132 TYR CG C 13 129.1 0.2 . 1 . . . . 132 TYR CG . 17064 1 498 . 1 1 132 132 TYR CZ C 13 158.3 0.2 . 1 . . . . 132 TYR CZ . 17064 1 499 . 1 1 132 132 TYR N N 15 119.6 0.2 . 1 . . . . 132 TYR N . 17064 1 500 . 1 1 133 133 ILE C C 13 178.5 0.2 . 1 . . . . 133 ILE C . 17064 1 501 . 1 1 133 133 ILE CA C 13 65.5 0.2 . 1 . . . . 133 ILE CA . 17064 1 502 . 1 1 133 133 ILE CB C 13 37.3 0.2 . 1 . . . . 133 ILE CB . 17064 1 503 . 1 1 133 133 ILE N N 15 119.8 0.2 . 1 . . . . 133 ILE N . 17064 1 504 . 1 1 134 134 CYS C C 13 176.9 0.2 . 1 . . . . 134 CYS C . 17064 1 505 . 1 1 134 134 CYS CA C 13 65.8 0.2 . 1 . . . . 134 CYS CA . 17064 1 506 . 1 1 134 134 CYS CB C 13 25.9 0.2 . 1 . . . . 134 CYS CB . 17064 1 507 . 1 1 134 134 CYS N N 15 121.5 0.2 . 1 . . . . 134 CYS N . 17064 1 508 . 1 1 135 135 GLY C C 13 176.1 0.2 . 1 . . . . 135 GLY C . 17064 1 509 . 1 1 135 135 GLY CA C 13 48.3 0.2 . 1 . . . . 135 GLY CA . 17064 1 510 . 1 1 135 135 GLY N N 15 105.7 0.2 . 1 . . . . 135 GLY N . 17064 1 511 . 1 1 136 136 VAL C C 13 177.6 0.2 . 1 . . . . 136 VAL C . 17064 1 512 . 1 1 136 136 VAL CA C 13 67.6 0.2 . 1 . . . . 136 VAL CA . 17064 1 513 . 1 1 136 136 VAL CB C 13 31.3 0.2 . 1 . . . . 136 VAL CB . 17064 1 514 . 1 1 136 136 VAL CG1 C 13 24.4 0.2 . 2 . . . . 136 VAL CG1 . 17064 1 515 . 1 1 136 136 VAL CG2 C 13 22.1 0.2 . 2 . . . . 136 VAL CG2 . 17064 1 516 . 1 1 136 136 VAL N N 15 123.6 0.2 . 1 . . . . 136 VAL N . 17064 1 517 . 1 1 137 137 CYS C C 13 176.2 0.2 . 1 . . . . 137 CYS C . 17064 1 518 . 1 1 137 137 CYS CA C 13 65.8 0.2 . 1 . . . . 137 CYS CA . 17064 1 519 . 1 1 137 137 CYS CB C 13 26.8 0.2 . 1 . . . . 137 CYS CB . 17064 1 520 . 1 1 137 137 CYS N N 15 118.6 0.2 . 1 . . . . 137 CYS N . 17064 1 521 . 1 1 138 138 ALA C C 13 177.9 0.2 . 1 . . . . 138 ALA C . 17064 1 522 . 1 1 138 138 ALA CA C 13 55.3 0.2 . 1 . . . . 138 ALA CA . 17064 1 523 . 1 1 138 138 ALA CB C 13 18.1 0.2 . 1 . . . . 138 ALA CB . 17064 1 524 . 1 1 138 138 ALA N N 15 119.1 0.2 . 1 . . . . 138 ALA N . 17064 1 525 . 1 1 139 139 PHE C C 13 176.7 0.2 . 1 . . . . 139 PHE C . 17064 1 526 . 1 1 139 139 PHE CA C 13 59.5 0.2 . 1 . . . . 139 PHE CA . 17064 1 527 . 1 1 139 139 PHE CB C 13 40.1 0.2 . 1 . . . . 139 PHE CB . 17064 1 528 . 1 1 139 139 PHE N N 15 119.8 0.2 . 1 . . . . 139 PHE N . 17064 1 529 . 1 1 145 145 GLY C C 13 175.6 0.2 . 1 . . . . 145 GLY C . 17064 1 530 . 1 1 145 145 GLY CA C 13 47.0 0.2 . 1 . . . . 145 GLY CA . 17064 1 531 . 1 1 145 145 GLY N N 15 108.4 0.2 . 1 . . . . 145 GLY N . 17064 1 532 . 1 1 146 146 ILE C C 13 178.4 0.2 . 1 . . . . 146 ILE C . 17064 1 533 . 1 1 146 146 ILE CA C 13 64.4 0.2 . 1 . . . . 146 ILE CA . 17064 1 534 . 1 1 146 146 ILE CB C 13 35.6 0.2 . 1 . . . . 146 ILE CB . 17064 1 535 . 1 1 146 146 ILE CD1 C 13 13.3 0.2 . 1 . . . . 146 ILE CD1 . 17064 1 536 . 1 1 146 146 ILE CG1 C 13 24.2 0.2 . 1 . . . . 146 ILE CG1 . 17064 1 537 . 1 1 146 146 ILE CG2 C 13 16.9 0.2 . 1 . . . . 146 ILE CG2 . 17064 1 538 . 1 1 146 146 ILE N N 15 114.7 0.2 . 1 . . . . 146 ILE N . 17064 1 539 . 1 1 147 147 TRP C C 13 175.5 0.2 . 1 . . . . 147 TRP C . 17064 1 540 . 1 1 147 147 TRP CA C 13 60.0 0.2 . 1 . . . . 147 TRP CA . 17064 1 541 . 1 1 147 147 TRP CB C 13 30.0 0.2 . 1 . . . . 147 TRP CB . 17064 1 542 . 1 1 147 147 TRP CD1 C 13 127.1 0.2 . 2 . . . . 147 TRP CD1 . 17064 1 543 . 1 1 147 147 TRP CG C 13 114.2 0.2 . 1 . . . . 147 TRP CG . 17064 1 544 . 1 1 147 147 TRP N N 15 120.8 0.2 . 1 . . . . 147 TRP N . 17064 1 545 . 1 1 148 148 ASN C C 13 172.0 0.2 . 1 . . . . 148 ASN C . 17064 1 546 . 1 1 148 148 ASN CA C 13 55.1 0.2 . 1 . . . . 148 ASN CA . 17064 1 547 . 1 1 148 148 ASN CB C 13 39.1 0.2 . 1 . . . . 148 ASN CB . 17064 1 548 . 1 1 148 148 ASN CG C 13 176.7 0.2 . 1 . . . . 148 ASN CG . 17064 1 549 . 1 1 148 148 ASN N N 15 116.9 0.2 . 1 . . . . 148 ASN N . 17064 1 550 . 1 1 156 156 THR C C 13 174.9 0.2 . 1 . . . . 156 THR C . 17064 1 551 . 1 1 156 156 THR CA C 13 61.8 0.2 . 1 . . . . 156 THR CA . 17064 1 552 . 1 1 156 156 THR CB C 13 69.3 0.2 . 1 . . . . 156 THR CB . 17064 1 553 . 1 1 156 156 THR N N 15 104.7 0.2 . 1 . . . . 156 THR N . 17064 1 554 . 1 1 157 157 GLN C C 13 173.3 0.2 . 1 . . . . 157 GLN C . 17064 1 555 . 1 1 157 157 GLN CA C 13 55.0 0.2 . 1 . . . . 157 GLN CA . 17064 1 556 . 1 1 157 157 GLN N N 15 120.5 0.2 . 1 . . . . 157 GLN N . 17064 1 557 . 1 1 158 158 SER C C 13 174.8 0.2 . 1 . . . . 158 SER C . 17064 1 558 . 1 1 158 158 SER CA C 13 57.8 0.2 . 1 . . . . 158 SER CA . 17064 1 559 . 1 1 158 158 SER CB C 13 65.3 0.2 . 1 . . . . 158 SER CB . 17064 1 560 . 1 1 158 158 SER N N 15 113.0 0.2 . 1 . . . . 158 SER N . 17064 1 561 . 1 1 159 159 SER C C 13 176.7 0.2 . 1 . . . . 159 SER C . 17064 1 562 . 1 1 159 159 SER CA C 13 61.8 0.2 . 1 . . . . 159 SER CA . 17064 1 563 . 1 1 159 159 SER CB C 13 62.7 0.2 . 1 . . . . 159 SER CB . 17064 1 564 . 1 1 159 159 SER N N 15 118.2 0.2 . 1 . . . . 159 SER N . 17064 1 565 . 1 1 160 160 GLU C C 13 179.6 0.2 . 1 . . . . 160 GLU C . 17064 1 566 . 1 1 160 160 GLU CA C 13 60.3 0.2 . 1 . . . . 160 GLU CA . 17064 1 567 . 1 1 160 160 GLU CB C 13 29.4 0.2 . 1 . . . . 160 GLU CB . 17064 1 568 . 1 1 160 160 GLU N N 15 119.5 0.2 . 1 . . . . 160 GLU N . 17064 1 569 . 1 1 161 161 LEU C C 13 178.9 0.2 . 1 . . . . 161 LEU C . 17064 1 570 . 1 1 161 161 LEU CA C 13 56.8 0.2 . 1 . . . . 161 LEU CA . 17064 1 571 . 1 1 161 161 LEU CB C 13 41.0 0.2 . 1 . . . . 161 LEU CB . 17064 1 572 . 1 1 161 161 LEU CD1 C 13 22.8 0.2 . 2 . . . . 161 LEU CD1 . 17064 1 573 . 1 1 161 161 LEU CG C 13 28.1 0.2 . 1 . . . . 161 LEU CG . 17064 1 574 . 1 1 161 161 LEU N N 15 124.9 0.2 . 1 . . . . 161 LEU N . 17064 1 575 . 1 1 162 162 ALA C C 13 179.9 0.2 . 1 . . . . 162 ALA C . 17064 1 576 . 1 1 162 162 ALA CA C 13 56.2 0.2 . 1 . . . . 162 ALA CA . 17064 1 577 . 1 1 162 162 ALA CB C 13 18.0 0.2 . 1 . . . . 162 ALA CB . 17064 1 578 . 1 1 162 162 ALA N N 15 123.1 0.2 . 1 . . . . 162 ALA N . 17064 1 579 . 1 1 163 163 ASN C C 13 178.1 0.2 . 1 . . . . 163 ASN C . 17064 1 580 . 1 1 163 163 ASN CA C 13 55.9 0.2 . 1 . . . . 163 ASN CA . 17064 1 581 . 1 1 163 163 ASN CB C 13 38.3 0.2 . 1 . . . . 163 ASN CB . 17064 1 582 . 1 1 163 163 ASN CG C 13 176.2 0.2 . 1 . . . . 163 ASN CG . 17064 1 583 . 1 1 163 163 ASN N N 15 115.7 0.2 . 1 . . . . 163 ASN N . 17064 1 584 . 1 1 164 164 LEU C C 13 178.0 0.2 . 1 . . . . 164 LEU C . 17064 1 585 . 1 1 164 164 LEU CA C 13 58.3 0.2 . 1 . . . . 164 LEU CA . 17064 1 586 . 1 1 164 164 LEU CB C 13 41.0 0.2 . 1 . . . . 164 LEU CB . 17064 1 587 . 1 1 164 164 LEU CD1 C 13 26.1 0.2 . 2 . . . . 164 LEU CD1 . 17064 1 588 . 1 1 164 164 LEU CD2 C 13 22.8 0.2 . 2 . . . . 164 LEU CD2 . 17064 1 589 . 1 1 164 164 LEU CG C 13 27.5 0.2 . 1 . . . . 164 LEU CG . 17064 1 590 . 1 1 164 164 LEU N N 15 123.5 0.2 . 1 . . . . 164 LEU N . 17064 1 591 . 1 1 165 165 TYR C C 13 176.1 0.2 . 1 . . . . 165 TYR C . 17064 1 592 . 1 1 165 165 TYR CA C 13 63.7 0.2 . 1 . . . . 165 TYR CA . 17064 1 593 . 1 1 165 165 TYR CB C 13 38.7 0.2 . 1 . . . . 165 TYR CB . 17064 1 594 . 1 1 165 165 TYR N N 15 118.9 0.2 . 1 . . . . 165 TYR N . 17064 1 595 . 1 1 166 166 ASP C C 13 179.4 0.2 . 1 . . . . 166 ASP C . 17064 1 596 . 1 1 166 166 ASP CA C 13 56.9 0.2 . 1 . . . . 166 ASP CA . 17064 1 597 . 1 1 166 166 ASP CB C 13 39.8 0.2 . 1 . . . . 166 ASP CB . 17064 1 598 . 1 1 166 166 ASP CG C 13 180.1 0.2 . 1 . . . . 166 ASP CG . 17064 1 599 . 1 1 166 166 ASP N N 15 118.9 0.2 . 1 . . . . 166 ASP N . 17064 1 600 . 1 1 167 167 LYS C C 13 178.4 0.2 . 1 . . . . 167 LYS C . 17064 1 601 . 1 1 167 167 LYS CA C 13 60.0 0.2 . 1 . . . . 167 LYS CA . 17064 1 602 . 1 1 167 167 LYS CB C 13 32.4 0.2 . 1 . . . . 167 LYS CB . 17064 1 603 . 1 1 167 167 LYS N N 15 123.2 0.2 . 1 . . . . 167 LYS N . 17064 1 604 . 1 1 169 169 VAL C C 13 178.8 0.2 . 1 . . . . 169 VAL C . 17064 1 605 . 1 1 169 169 VAL CA C 13 64.7 0.2 . 1 . . . . 169 VAL CA . 17064 1 606 . 1 1 169 169 VAL CB C 13 30.1 0.2 . 1 . . . . 169 VAL CB . 17064 1 607 . 1 1 169 169 VAL CG1 C 13 22.9 0.2 . 2 . . . . 169 VAL CG1 . 17064 1 608 . 1 1 169 169 VAL CG2 C 13 19.1 0.2 . 2 . . . . 169 VAL CG2 . 17064 1 609 . 1 1 169 169 VAL N N 15 119.8 0.2 . 1 . . . . 169 VAL N . 17064 1 610 . 1 1 170 170 THR C C 13 174.4 0.2 . 1 . . . . 170 THR C . 17064 1 611 . 1 1 170 170 THR CA C 13 69.5 0.2 . 1 . . . . 170 THR CA . 17064 1 612 . 1 1 170 170 THR CB C 13 68.0 0.2 . 1 . . . . 170 THR CB . 17064 1 613 . 1 1 170 170 THR CG2 C 13 21.7 0.2 . 1 . . . . 170 THR CG2 . 17064 1 614 . 1 1 170 170 THR N N 15 125.1 0.2 . 1 . . . . 170 THR N . 17064 1 615 . 1 1 171 171 TYR C C 13 175.4 0.2 . 1 . . . . 171 TYR C . 17064 1 616 . 1 1 171 171 TYR CA C 13 62.8 0.2 . 1 . . . . 171 TYR CA . 17064 1 617 . 1 1 171 171 TYR N N 15 123.1 0.2 . 1 . . . . 171 TYR N . 17064 1 618 . 1 1 172 172 PHE C C 13 176.8 0.2 . 1 . . . . 172 PHE C . 17064 1 619 . 1 1 172 172 PHE CA C 13 60.7 0.2 . 1 . . . . 172 PHE CA . 17064 1 620 . 1 1 172 172 PHE CB C 13 41.9 0.2 . 1 . . . . 172 PHE CB . 17064 1 621 . 1 1 172 172 PHE N N 15 118.1 0.2 . 1 . . . . 172 PHE N . 17064 1 622 . 1 1 173 173 THR C C 13 174.9 0.2 . 1 . . . . 173 THR C . 17064 1 623 . 1 1 173 173 THR CA C 13 69.1 0.2 . 1 . . . . 173 THR CA . 17064 1 624 . 1 1 173 173 THR CG2 C 13 21.5 0.2 . 1 . . . . 173 THR CG2 . 17064 1 625 . 1 1 173 173 THR N N 15 113.1 0.2 . 1 . . . . 173 THR N . 17064 1 626 . 1 1 174 174 VAL C C 13 175.8 0.2 . 1 . . . . 174 VAL C . 17064 1 627 . 1 1 174 174 VAL CA C 13 67.4 0.2 . 1 . . . . 174 VAL CA . 17064 1 628 . 1 1 174 174 VAL CB C 13 31.8 0.2 . 1 . . . . 174 VAL CB . 17064 1 629 . 1 1 174 174 VAL CG1 C 13 23.3 0.2 . 2 . . . . 174 VAL CG1 . 17064 1 630 . 1 1 174 174 VAL CG2 C 13 22.0 0.2 . 2 . . . . 174 VAL CG2 . 17064 1 631 . 1 1 174 174 VAL N N 15 117.8 0.2 . 1 . . . . 174 VAL N . 17064 1 632 . 1 1 175 175 LEU C C 13 179.9 0.2 . 1 . . . . 175 LEU C . 17064 1 633 . 1 1 175 175 LEU CA C 13 57.5 0.2 . 1 . . . . 175 LEU CA . 17064 1 634 . 1 1 175 175 LEU CB C 13 41.8 0.2 . 1 . . . . 175 LEU CB . 17064 1 635 . 1 1 175 175 LEU CD1 C 13 26.7 0.2 . 2 . . . . 175 LEU CD1 . 17064 1 636 . 1 1 175 175 LEU CD2 C 13 23.5 0.2 . 2 . . . . 175 LEU CD2 . 17064 1 637 . 1 1 175 175 LEU CG C 13 27.8 0.2 . 1 . . . . 175 LEU CG . 17064 1 638 . 1 1 175 175 LEU N N 15 112.8 0.2 . 1 . . . . 175 LEU N . 17064 1 639 . 1 1 176 176 TRP C C 13 179.6 0.2 . 1 . . . . 176 TRP C . 17064 1 640 . 1 1 176 176 TRP CA C 13 62.6 0.2 . 1 . . . . 176 TRP CA . 17064 1 641 . 1 1 176 176 TRP CB C 13 27.1 0.2 . 1 . . . . 176 TRP CB . 17064 1 642 . 1 1 176 176 TRP N N 15 117.7 0.2 . 1 . . . . 176 TRP N . 17064 1 643 . 1 1 177 177 ILE C C 13 175.7 0.2 . 1 . . . . 177 ILE C . 17064 1 644 . 1 1 177 177 ILE CA C 13 65.5 0.2 . 1 . . . . 177 ILE CA . 17064 1 645 . 1 1 177 177 ILE CB C 13 38.2 0.2 . 1 . . . . 177 ILE CB . 17064 1 646 . 1 1 177 177 ILE CG2 C 13 18.0 0.2 . 1 . . . . 177 ILE CG2 . 17064 1 647 . 1 1 177 177 ILE N N 15 118.2 0.2 . 1 . . . . 177 ILE N . 17064 1 648 . 1 1 178 178 GLY C C 13 174.8 0.2 . 1 . . . . 178 GLY C . 17064 1 649 . 1 1 178 178 GLY CA C 13 47.6 0.2 . 1 . . . . 178 GLY CA . 17064 1 650 . 1 1 178 178 GLY N N 15 102.1 0.2 . 1 . . . . 178 GLY N . 17064 1 651 . 1 1 179 179 TYR C C 13 175.2 0.2 . 1 . . . . 179 TYR C . 17064 1 652 . 1 1 179 179 TYR CA C 13 63.5 0.2 . 1 . . . . 179 TYR CA . 17064 1 653 . 1 1 179 179 TYR CB C 13 35.4 0.2 . 1 . . . . 179 TYR CB . 17064 1 654 . 1 1 179 179 TYR N N 15 115.7 0.2 . 1 . . . . 179 TYR N . 17064 1 655 . 1 1 180 180 PRO C C 13 180.0 0.2 . 1 . . . . 180 PRO C . 17064 1 656 . 1 1 180 180 PRO CA C 13 65.1 0.2 . 1 . . . . 180 PRO CA . 17064 1 657 . 1 1 180 180 PRO CB C 13 29.0 0.2 . 1 . . . . 180 PRO CB . 17064 1 658 . 1 1 180 180 PRO CD C 13 49.7 0.2 . 1 . . . . 180 PRO CD . 17064 1 659 . 1 1 180 180 PRO CG C 13 27.7 0.2 . 1 . . . . 180 PRO CG . 17064 1 660 . 1 1 180 180 PRO N N 15 132.2 0.2 . 1 . . . . 180 PRO N . 17064 1 661 . 1 1 181 181 ILE C C 13 175.4 0.2 . 1 . . . . 181 ILE C . 17064 1 662 . 1 1 181 181 ILE CA C 13 65.5 0.2 . 1 . . . . 181 ILE CA . 17064 1 663 . 1 1 181 181 ILE CB C 13 37.6 0.2 . 1 . . . . 181 ILE CB . 17064 1 664 . 1 1 181 181 ILE CD1 C 13 13.8 0.2 . 1 . . . . 181 ILE CD1 . 17064 1 665 . 1 1 181 181 ILE CG1 C 13 28.7 0.2 . 1 . . . . 181 ILE CG1 . 17064 1 666 . 1 1 181 181 ILE CG2 C 13 17.0 0.2 . 1 . . . . 181 ILE CG2 . 17064 1 667 . 1 1 181 181 ILE N N 15 121.4 0.2 . 1 . . . . 181 ILE N . 17064 1 668 . 1 1 182 182 VAL C C 13 177.3 0.2 . 1 . . . . 182 VAL C . 17064 1 669 . 1 1 182 182 VAL CA C 13 67.1 0.2 . 1 . . . . 182 VAL CA . 17064 1 670 . 1 1 182 182 VAL CB C 13 30.7 0.2 . 1 . . . . 182 VAL CB . 17064 1 671 . 1 1 182 182 VAL CG1 C 13 24.2 0.2 . 2 . . . . 182 VAL CG1 . 17064 1 672 . 1 1 182 182 VAL CG2 C 13 23.2 0.2 . 2 . . . . 182 VAL CG2 . 17064 1 673 . 1 1 182 182 VAL N N 15 118.8 0.2 . 1 . . . . 182 VAL N . 17064 1 674 . 1 1 183 183 TRP C C 13 179.0 0.2 . 1 . . . . 183 TRP C . 17064 1 675 . 1 1 183 183 TRP CA C 13 62.8 0.2 . 1 . . . . 183 TRP CA . 17064 1 676 . 1 1 183 183 TRP CB C 13 32.5 0.2 . 1 . . . . 183 TRP CB . 17064 1 677 . 1 1 183 183 TRP CD1 C 13 127.6 0.2 . 2 . . . . 183 TRP CD1 . 17064 1 678 . 1 1 183 183 TRP CD2 C 13 129.1 0.2 . 2 . . . . 183 TRP CD2 . 17064 1 679 . 1 1 183 183 TRP CG C 13 112.2 0.2 . 1 . . . . 183 TRP CG . 17064 1 680 . 1 1 183 183 TRP N N 15 116.5 0.2 . 1 . . . . 183 TRP N . 17064 1 681 . 1 1 184 184 ILE C C 13 175.0 0.2 . 1 . . . . 184 ILE C . 17064 1 682 . 1 1 184 184 ILE CA C 13 60.7 0.2 . 1 . . . . 184 ILE CA . 17064 1 683 . 1 1 184 184 ILE CB C 13 39.6 0.2 . 1 . . . . 184 ILE CB . 17064 1 684 . 1 1 184 184 ILE N N 15 113.1 0.2 . 1 . . . . 184 ILE N . 17064 1 685 . 1 1 185 185 ILE C C 13 176.5 0.2 . 1 . . . . 185 ILE C . 17064 1 686 . 1 1 185 185 ILE CA C 13 63.0 0.2 . 1 . . . . 185 ILE CA . 17064 1 687 . 1 1 185 185 ILE CB C 13 38.7 0.2 . 1 . . . . 185 ILE CB . 17064 1 688 . 1 1 185 185 ILE CD1 C 13 14.7 0.2 . 1 . . . . 185 ILE CD1 . 17064 1 689 . 1 1 185 185 ILE CG2 C 13 18.0 0.2 . 1 . . . . 185 ILE CG2 . 17064 1 690 . 1 1 185 185 ILE N N 15 112.8 0.2 . 1 . . . . 185 ILE N . 17064 1 691 . 1 1 186 186 GLY C C 13 173.8 0.2 . 1 . . . . 186 GLY C . 17064 1 692 . 1 1 186 186 GLY CA C 13 45.2 0.2 . 1 . . . . 186 GLY CA . 17064 1 693 . 1 1 186 186 GLY N N 15 109.8 0.2 . 1 . . . . 186 GLY N . 17064 1 694 . 1 1 187 187 PRO C C 13 176.9 0.2 . 1 . . . . 187 PRO C . 17064 1 695 . 1 1 187 187 PRO CA C 13 64.9 0.2 . 1 . . . . 187 PRO CA . 17064 1 696 . 1 1 187 187 PRO CB C 13 33.1 0.2 . 1 . . . . 187 PRO CB . 17064 1 697 . 1 1 187 187 PRO CD C 13 49.8 0.2 . 1 . . . . 187 PRO CD . 17064 1 698 . 1 1 187 187 PRO CG C 13 27.3 0.2 . 1 . . . . 187 PRO CG . 17064 1 699 . 1 1 187 187 PRO N N 15 133.4 0.2 . 1 . . . . 187 PRO N . 17064 1 700 . 1 1 188 188 SER C C 13 172.6 0.2 . 1 . . . . 188 SER C . 17064 1 701 . 1 1 188 188 SER CA C 13 61.8 0.2 . 1 . . . . 188 SER CA . 17064 1 702 . 1 1 188 188 SER CB C 13 60.7 0.2 . 1 . . . . 188 SER CB . 17064 1 703 . 1 1 188 188 SER N N 15 109.1 0.2 . 1 . . . . 188 SER N . 17064 1 704 . 1 1 189 189 GLY C C 13 173.9 0.2 . 1 . . . . 189 GLY C . 17064 1 705 . 1 1 189 189 GLY CA C 13 44.2 0.2 . 1 . . . . 189 GLY CA . 17064 1 706 . 1 1 189 189 GLY N N 15 109.0 0.2 . 1 . . . . 189 GLY N . 17064 1 707 . 1 1 190 190 PHE C C 13 177.2 0.2 . 1 . . . . 190 PHE C . 17064 1 708 . 1 1 190 190 PHE CA C 13 56.5 0.2 . 1 . . . . 190 PHE CA . 17064 1 709 . 1 1 190 190 PHE N N 15 125.3 0.2 . 1 . . . . 190 PHE N . 17064 1 710 . 1 1 191 191 GLY C C 13 174.7 0.2 . 1 . . . . 191 GLY C . 17064 1 711 . 1 1 191 191 GLY CA C 13 46.7 0.2 . 1 . . . . 191 GLY CA . 17064 1 712 . 1 1 191 191 GLY N N 15 105.6 0.2 . 1 . . . . 191 GLY N . 17064 1 713 . 1 1 192 192 TRP C C 13 177.1 0.2 . 1 . . . . 192 TRP C . 17064 1 714 . 1 1 192 192 TRP CA C 13 57.5 0.2 . 1 . . . . 192 TRP CA . 17064 1 715 . 1 1 192 192 TRP CB C 13 29.0 0.2 . 1 . . . . 192 TRP CB . 17064 1 716 . 1 1 192 192 TRP N N 15 121.0 0.2 . 1 . . . . 192 TRP N . 17064 1 717 . 1 1 193 193 ILE C C 13 175.1 0.2 . 1 . . . . 193 ILE C . 17064 1 718 . 1 1 193 193 ILE CA C 13 58.6 0.2 . 1 . . . . 193 ILE CA . 17064 1 719 . 1 1 193 193 ILE CB C 13 40.2 0.2 . 1 . . . . 193 ILE CB . 17064 1 720 . 1 1 193 193 ILE CD1 C 13 13.2 0.2 . 1 . . . . 193 ILE CD1 . 17064 1 721 . 1 1 193 193 ILE CG1 C 13 27.2 0.2 . 1 . . . . 193 ILE CG1 . 17064 1 722 . 1 1 193 193 ILE CG2 C 13 18.5 0.2 . 1 . . . . 193 ILE CG2 . 17064 1 723 . 1 1 193 193 ILE N N 15 106.5 0.2 . 1 . . . . 193 ILE N . 17064 1 724 . 1 1 194 194 ASN C C 13 175.7 0.2 . 1 . . . . 194 ASN C . 17064 1 725 . 1 1 194 194 ASN CA C 13 51.4 0.2 . 1 . . . . 194 ASN CA . 17064 1 726 . 1 1 194 194 ASN CB C 13 39.3 0.2 . 1 . . . . 194 ASN CB . 17064 1 727 . 1 1 194 194 ASN N N 15 118.5 0.2 . 1 . . . . 194 ASN N . 17064 1 728 . 1 1 195 195 GLN C C 13 176.8 0.2 . 1 . . . . 195 GLN C . 17064 1 729 . 1 1 195 195 GLN CA C 13 57.7 0.2 . 1 . . . . 195 GLN CA . 17064 1 730 . 1 1 195 195 GLN CB C 13 29.3 0.2 . 1 . . . . 195 GLN CB . 17064 1 731 . 1 1 195 195 GLN CD C 13 180.7 0.2 . 1 . . . . 195 GLN CD . 17064 1 732 . 1 1 195 195 GLN CG C 13 34.4 0.2 . 1 . . . . 195 GLN CG . 17064 1 733 . 1 1 195 195 GLN N N 15 116.2 0.2 . 1 . . . . 195 GLN N . 17064 1 734 . 1 1 196 196 THR C C 13 175.9 0.2 . 1 . . . . 196 THR C . 17064 1 735 . 1 1 196 196 THR CA C 13 67.8 0.2 . 1 . . . . 196 THR CA . 17064 1 736 . 1 1 196 196 THR CG2 C 13 23.3 0.2 . 1 . . . . 196 THR CG2 . 17064 1 737 . 1 1 196 196 THR N N 15 117.7 0.2 . 1 . . . . 196 THR N . 17064 1 738 . 1 1 197 197 ILE C C 13 177.5 0.2 . 1 . . . . 197 ILE C . 17064 1 739 . 1 1 197 197 ILE CA C 13 63.6 0.2 . 1 . . . . 197 ILE CA . 17064 1 740 . 1 1 197 197 ILE CB C 13 37.2 0.2 . 1 . . . . 197 ILE CB . 17064 1 741 . 1 1 197 197 ILE CG1 C 13 27.4 0.2 . 1 . . . . 197 ILE CG1 . 17064 1 742 . 1 1 197 197 ILE CG2 C 13 18.8 0.2 . 1 . . . . 197 ILE CG2 . 17064 1 743 . 1 1 197 197 ILE N N 15 119.6 0.2 . 1 . . . . 197 ILE N . 17064 1 744 . 1 1 198 198 ASP C C 13 177.0 0.2 . 1 . . . . 198 ASP C . 17064 1 745 . 1 1 198 198 ASP CA C 13 59.0 0.2 . 1 . . . . 198 ASP CA . 17064 1 746 . 1 1 198 198 ASP CB C 13 44.0 0.2 . 1 . . . . 198 ASP CB . 17064 1 747 . 1 1 198 198 ASP CG C 13 177.8 0.2 . 1 . . . . 198 ASP CG . 17064 1 748 . 1 1 198 198 ASP N N 15 123.5 0.2 . 1 . . . . 198 ASP N . 17064 1 749 . 1 1 199 199 THR C C 13 175.8 0.2 . 1 . . . . 199 THR C . 17064 1 750 . 1 1 199 199 THR CA C 13 68.1 0.2 . 1 . . . . 199 THR CA . 17064 1 751 . 1 1 199 199 THR CG2 C 13 23.6 0.2 . 1 . . . . 199 THR CG2 . 17064 1 752 . 1 1 199 199 THR N N 15 116.6 0.2 . 1 . . . . 199 THR N . 17064 1 753 . 1 1 200 200 PHE C C 13 178.4 0.2 . 1 . . . . 200 PHE C . 17064 1 754 . 1 1 200 200 PHE CA C 13 62.1 0.2 . 1 . . . . 200 PHE CA . 17064 1 755 . 1 1 200 200 PHE CB C 13 39.1 0.2 . 1 . . . . 200 PHE CB . 17064 1 756 . 1 1 200 200 PHE N N 15 120.3 0.2 . 1 . . . . 200 PHE N . 17064 1 757 . 1 1 201 201 LEU C C 13 178.5 0.2 . 1 . . . . 201 LEU C . 17064 1 758 . 1 1 201 201 LEU CA C 13 58.4 0.2 . 1 . . . . 201 LEU CA . 17064 1 759 . 1 1 201 201 LEU CB C 13 41.9 0.2 . 1 . . . . 201 LEU CB . 17064 1 760 . 1 1 201 201 LEU CD1 C 13 26.9 0.2 . 2 . . . . 201 LEU CD1 . 17064 1 761 . 1 1 201 201 LEU CD2 C 13 22.6 0.2 . 2 . . . . 201 LEU CD2 . 17064 1 762 . 1 1 201 201 LEU CG C 13 27.4 0.2 . 1 . . . . 201 LEU CG . 17064 1 763 . 1 1 201 201 LEU N N 15 120.4 0.2 . 1 . . . . 201 LEU N . 17064 1 764 . 1 1 202 202 PHE C C 13 174.6 0.2 . 1 . . . . 202 PHE C . 17064 1 765 . 1 1 202 202 PHE CA C 13 60.9 0.2 . 1 . . . . 202 PHE CA . 17064 1 766 . 1 1 202 202 PHE CB C 13 35.8 0.2 . 1 . . . . 202 PHE CB . 17064 1 767 . 1 1 202 202 PHE CE1 C 13 131.1 0.2 . 3 . . . . 202 PHE CE1 . 17064 1 768 . 1 1 202 202 PHE CG C 13 140.4 0.2 . 1 . . . . 202 PHE CG . 17064 1 769 . 1 1 202 202 PHE N N 15 115.3 0.2 . 1 . . . . 202 PHE N . 17064 1 770 . 1 1 203 203 CYS C C 13 175.3 0.2 . 1 . . . . 203 CYS C . 17064 1 771 . 1 1 203 203 CYS CA C 13 62.7 0.2 . 1 . . . . 203 CYS CA . 17064 1 772 . 1 1 203 203 CYS CB C 13 28.7 0.2 . 1 . . . . 203 CYS CB . 17064 1 773 . 1 1 203 203 CYS N N 15 117.7 0.2 . 1 . . . . 203 CYS N . 17064 1 774 . 1 1 204 204 LEU C C 13 178.4 0.2 . 1 . . . . 204 LEU C . 17064 1 775 . 1 1 204 204 LEU CA C 13 59.1 0.2 . 1 . . . . 204 LEU CA . 17064 1 776 . 1 1 204 204 LEU CB C 13 43.9 0.2 . 1 . . . . 204 LEU CB . 17064 1 777 . 1 1 204 204 LEU CD1 C 13 25.9 0.2 . 2 . . . . 204 LEU CD1 . 17064 1 778 . 1 1 204 204 LEU CD2 C 13 25.1 0.2 . 2 . . . . 204 LEU CD2 . 17064 1 779 . 1 1 204 204 LEU CG C 13 27.0 0.2 . 1 . . . . 204 LEU CG . 17064 1 780 . 1 1 204 204 LEU N N 15 121.6 0.2 . 1 . . . . 204 LEU N . 17064 1 781 . 1 1 205 205 LEU C C 13 180.0 0.2 . 1 . . . . 205 LEU C . 17064 1 782 . 1 1 205 205 LEU CA C 13 60.0 0.2 . 1 . . . . 205 LEU CA . 17064 1 783 . 1 1 205 205 LEU CB C 13 38.2 0.2 . 1 . . . . 205 LEU CB . 17064 1 784 . 1 1 205 205 LEU CD1 C 13 24.0 0.2 . 2 . . . . 205 LEU CD1 . 17064 1 785 . 1 1 205 205 LEU CD2 C 13 22.5 0.2 . 2 . . . . 205 LEU CD2 . 17064 1 786 . 1 1 205 205 LEU CG C 13 27.6 0.2 . 1 . . . . 205 LEU CG . 17064 1 787 . 1 1 205 205 LEU N N 15 115.0 0.2 . 1 . . . . 205 LEU N . 17064 1 788 . 1 1 206 206 PRO C C 13 177.4 0.2 . 1 . . . . 206 PRO C . 17064 1 789 . 1 1 206 206 PRO CA C 13 66.6 0.2 . 1 . . . . 206 PRO CA . 17064 1 790 . 1 1 206 206 PRO CB C 13 29.5 0.2 . 1 . . . . 206 PRO CB . 17064 1 791 . 1 1 206 206 PRO CD C 13 51.2 0.2 . 1 . . . . 206 PRO CD . 17064 1 792 . 1 1 206 206 PRO CG C 13 28.6 0.2 . 1 . . . . 206 PRO CG . 17064 1 793 . 1 1 206 206 PRO N N 15 139.3 0.2 . 1 . . . . 206 PRO N . 17064 1 794 . 1 1 207 207 PHE N N 15 121.6 0.2 . 1 . . . . 207 PHE N . 17064 1 795 . 1 1 209 209 SER C C 13 171.3 0.2 . 1 . . . . 209 SER C . 17064 1 796 . 1 1 209 209 SER CA C 13 60.7 0.2 . 1 . . . . 209 SER CA . 17064 1 797 . 1 1 209 209 SER CB C 13 63.5 0.2 . 1 . . . . 209 SER CB . 17064 1 798 . 1 1 209 209 SER N N 15 115.5 0.2 . 1 . . . . 209 SER N . 17064 1 799 . 1 1 210 210 LYS C C 13 173.0 0.2 . 1 . . . . 210 LYS C . 17064 1 800 . 1 1 210 210 LYS CA C 13 57.3 0.2 . 1 . . . . 210 LYS CA . 17064 1 801 . 1 1 210 210 LYS CB C 13 33.3 0.2 . 1 . . . . 210 LYS CB . 17064 1 802 . 1 1 210 210 LYS CD C 13 30.3 0.2 . 1 . . . . 210 LYS CD . 17064 1 803 . 1 1 210 210 LYS CE C 13 55.7 0.2 . 1 . . . . 210 LYS CE . 17064 1 804 . 1 1 210 210 LYS CG C 13 29.4 0.2 . 1 . . . . 210 LYS CG . 17064 1 805 . 1 1 210 210 LYS N N 15 117.5 0.2 . 1 . . . . 210 LYS N . 17064 1 806 . 1 1 210 210 LYS NZ N 15 177.2 0.2 . 1 . . . . 210 LYS NZ . 17064 1 807 . 1 1 211 211 VAL C C 13 177.8 0.2 . 1 . . . . 211 VAL C . 17064 1 808 . 1 1 211 211 VAL CA C 13 65.6 0.2 . 1 . . . . 211 VAL CA . 17064 1 809 . 1 1 211 211 VAL CB C 13 31.7 0.2 . 1 . . . . 211 VAL CB . 17064 1 810 . 1 1 211 211 VAL CG1 C 13 23.6 0.2 . 2 . . . . 211 VAL CG1 . 17064 1 811 . 1 1 211 211 VAL CG2 C 13 22.1 0.2 . 2 . . . . 211 VAL CG2 . 17064 1 812 . 1 1 211 211 VAL N N 15 116.9 0.2 . 1 . . . . 211 VAL N . 17064 1 813 . 1 1 212 212 GLY C C 13 173.3 0.2 . 1 . . . . 212 GLY C . 17064 1 814 . 1 1 212 212 GLY CA C 13 48.3 0.2 . 1 . . . . 212 GLY CA . 17064 1 815 . 1 1 212 212 GLY N N 15 101.7 0.2 . 1 . . . . 212 GLY N . 17064 1 816 . 1 1 213 213 PHE C C 13 175.6 0.2 . 1 . . . . 213 PHE C . 17064 1 817 . 1 1 213 213 PHE CA C 13 62.1 0.2 . 1 . . . . 213 PHE CA . 17064 1 818 . 1 1 213 213 PHE CB C 13 40.5 0.2 . 1 . . . . 213 PHE CB . 17064 1 819 . 1 1 213 213 PHE N N 15 119.9 0.2 . 1 . . . . 213 PHE N . 17064 1 820 . 1 1 214 214 SER C C 13 175.2 0.2 . 1 . . . . 214 SER C . 17064 1 821 . 1 1 214 214 SER CA C 13 62.9 0.2 . 1 . . . . 214 SER CA . 17064 1 822 . 1 1 214 214 SER N N 15 116.4 0.2 . 1 . . . . 214 SER N . 17064 1 823 . 1 1 216 216 LEU C C 13 179.9 0.2 . 1 . . . . 216 LEU C . 17064 1 824 . 1 1 216 216 LEU CA C 13 57.8 0.2 . 1 . . . . 216 LEU CA . 17064 1 825 . 1 1 216 216 LEU CB C 13 42.5 0.2 . 1 . . . . 216 LEU CB . 17064 1 826 . 1 1 216 216 LEU CD2 C 13 22.9 0.2 . 2 . . . . 216 LEU CD2 . 17064 1 827 . 1 1 216 216 LEU CG C 13 26.1 0.2 . 1 . . . . 216 LEU CG . 17064 1 828 . 1 1 216 216 LEU N N 15 119.1 0.2 . 1 . . . . 216 LEU N . 17064 1 829 . 1 1 217 217 ASP C C 13 177.1 0.2 . 1 . . . . 217 ASP C . 17064 1 830 . 1 1 217 217 ASP CA C 13 57.9 0.2 . 1 . . . . 217 ASP CA . 17064 1 831 . 1 1 217 217 ASP CB C 13 42.2 0.2 . 1 . . . . 217 ASP CB . 17064 1 832 . 1 1 217 217 ASP CG C 13 176.1 0.2 . 1 . . . . 217 ASP CG . 17064 1 833 . 1 1 217 217 ASP N N 15 121.0 0.2 . 1 . . . . 217 ASP N . 17064 1 834 . 1 1 218 218 LEU C C 13 180.8 0.2 . 1 . . . . 218 LEU C . 17064 1 835 . 1 1 218 218 LEU CA C 13 58.0 0.2 . 1 . . . . 218 LEU CA . 17064 1 836 . 1 1 218 218 LEU CB C 13 42.0 0.2 . 1 . . . . 218 LEU CB . 17064 1 837 . 1 1 218 218 LEU CD2 C 13 21.6 0.2 . 2 . . . . 218 LEU CD2 . 17064 1 838 . 1 1 218 218 LEU CG C 13 26.1 0.2 . 1 . . . . 218 LEU CG . 17064 1 839 . 1 1 218 218 LEU N N 15 114.8 0.2 . 1 . . . . 218 LEU N . 17064 1 840 . 1 1 219 219 HIS C C 13 178.4 0.2 . 1 . . . . 219 HIS C . 17064 1 841 . 1 1 219 219 HIS CA C 13 61.4 0.2 . 1 . . . . 219 HIS CA . 17064 1 842 . 1 1 219 219 HIS N N 15 114.1 0.2 . 1 . . . . 219 HIS N . 17064 1 843 . 1 1 220 220 GLY C C 13 176.6 0.2 . 1 . . . . 220 GLY C . 17064 1 844 . 1 1 220 220 GLY CA C 13 47.5 0.2 . 1 . . . . 220 GLY CA . 17064 1 845 . 1 1 220 220 GLY N N 15 109.5 0.2 . 1 . . . . 220 GLY N . 17064 1 stop_ save_