data_16964 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16964 _Entry.Title ; Solid-state NMR assignment of the globular domain of HET-s(1-227) prion protein in microcrystalline form. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-29 _Entry.Accession_date 2010-05-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Anne Schuetz . . . 16964 2 Christian Wasmer . . . 16964 3 Birgit Habenstein . . . 16964 4 Rene Verel . . . 16964 5 Jason Greenwald . . . 16964 6 Roland Riek . . . 16964 7 Anja Bockmann . . . 16964 8 Beat Meier . H. . 16964 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16964 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 817 16964 '15N chemical shifts' 205 16964 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-19 2010-05-29 update BMRB 'complete entry citation' 16964 1 . . 2010-06-30 2010-05-29 original author 'original release' 16964 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16965 'HET-s(1-227) solid state' 16964 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16964 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20572250 _Citation.Full_citation . _Citation.Title 'Protocols for the sequential solid-state NMR spectroscopic assignment of a uniformly labeled 25 kDa protein: HET-s(1-227).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full 'Chembiochem : a European journal of chemical biology' _Citation.Journal_volume 11 _Citation.Journal_issue 11 _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 1543 _Citation.Page_last 1551 _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 Anne Schuetz . . . 16964 1 2 Christian Wasmer . . . 16964 1 3 Birgit Habenstein . . . 16964 1 4 Rene Verel . . . 16964 1 5 Jason Greenwald . . . 16964 1 6 Roland Riek . . . 16964 1 7 Anja Bockmann . . . 16964 1 8 Beat Meier . H. . 16964 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'prion proteins' 16964 1 'sequence determination' 16964 1 'solid-state NMR' 16964 1 spectroscopy 16964 1 'structure determination' 16964 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16964 _Assembly.ID 1 _Assembly.Name HET-s(1-227) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 25470 _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 HET-s(1-227) 1 $HET-s A . yes native no no 1 . . 16964 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HET-s _Entity.Sf_category entity _Entity.Sf_framecode HET-s _Entity.Entry_ID 16964 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HET-s _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 ; GSMSEPFGIVAGALNVAGLF NNCVDCFEYVQLGRPFGRDY ERCQLRLDIAKARLSRWGEA VKINDDPRFHSSAPTDKSVQ LAKSIVEEILLLFESAQKTS KRYELVADQQDLVVFEDKDM KPIGRALHRRLNDLVSRRQK QTSLAKKTAWALYDGKSLEK IVDQVARFVDELEKAFPIEA VCHKLAEIEIEEVEDEASLT ILKDAAGGIDAAMSDAAAQK IDAIVGRNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first two residues represent non-native remainders of a cleaved HIS-tag. This is the globular domain of a prion protein. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 229 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25470 _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 16965 . HET-s . . . . . 100.00 229 100.00 100.00 2.52e-164 . . . . 16964 1 2 no PDB 2WVN . "Structure Of The Het-S N-Terminal Domain" . . . . . 100.00 229 99.56 99.56 2.22e-163 . . . . 16964 1 3 no GB AAB19707 . "s gene 30 kDa polypeptide [Podospora anserina=fungus, Peptide, 289 aa]" . . . . . 99.13 289 99.56 99.56 2.20e-161 . . . . 16964 1 4 no GB AAB94631 . "small s protein [Podospora anserina]" . . . . . 99.13 289 99.56 99.56 1.83e-161 . . . . 16964 1 5 no PRF 1718317A . "vegetative incompatibility gene s" . . . . . 99.13 289 99.12 99.12 5.60e-160 . . . . 16964 1 6 no SP Q03689 . "RecName: Full=Heterokaryon incompatibility protein s; AltName: Full=Small s protein; AltName: Full=Vegetative incompatibility p" . . . . . 99.13 289 99.56 99.56 1.83e-161 . . . . 16964 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'heterokaryon incompatibility' 16964 1 'prion protein' 16964 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 -1 GLY . 16964 1 2 0 SER . 16964 1 3 1 MET . 16964 1 4 2 SER . 16964 1 5 3 GLU . 16964 1 6 4 PRO . 16964 1 7 5 PHE . 16964 1 8 6 GLY . 16964 1 9 7 ILE . 16964 1 10 8 VAL . 16964 1 11 9 ALA . 16964 1 12 10 GLY . 16964 1 13 11 ALA . 16964 1 14 12 LEU . 16964 1 15 13 ASN . 16964 1 16 14 VAL . 16964 1 17 15 ALA . 16964 1 18 16 GLY . 16964 1 19 17 LEU . 16964 1 20 18 PHE . 16964 1 21 19 ASN . 16964 1 22 20 ASN . 16964 1 23 21 CYS . 16964 1 24 22 VAL . 16964 1 25 23 ASP . 16964 1 26 24 CYS . 16964 1 27 25 PHE . 16964 1 28 26 GLU . 16964 1 29 27 TYR . 16964 1 30 28 VAL . 16964 1 31 29 GLN . 16964 1 32 30 LEU . 16964 1 33 31 GLY . 16964 1 34 32 ARG . 16964 1 35 33 PRO . 16964 1 36 34 PHE . 16964 1 37 35 GLY . 16964 1 38 36 ARG . 16964 1 39 37 ASP . 16964 1 40 38 TYR . 16964 1 41 39 GLU . 16964 1 42 40 ARG . 16964 1 43 41 CYS . 16964 1 44 42 GLN . 16964 1 45 43 LEU . 16964 1 46 44 ARG . 16964 1 47 45 LEU . 16964 1 48 46 ASP . 16964 1 49 47 ILE . 16964 1 50 48 ALA . 16964 1 51 49 LYS . 16964 1 52 50 ALA . 16964 1 53 51 ARG . 16964 1 54 52 LEU . 16964 1 55 53 SER . 16964 1 56 54 ARG . 16964 1 57 55 TRP . 16964 1 58 56 GLY . 16964 1 59 57 GLU . 16964 1 60 58 ALA . 16964 1 61 59 VAL . 16964 1 62 60 LYS . 16964 1 63 61 ILE . 16964 1 64 62 ASN . 16964 1 65 63 ASP . 16964 1 66 64 ASP . 16964 1 67 65 PRO . 16964 1 68 66 ARG . 16964 1 69 67 PHE . 16964 1 70 68 HIS . 16964 1 71 69 SER . 16964 1 72 70 SER . 16964 1 73 71 ALA . 16964 1 74 72 PRO . 16964 1 75 73 THR . 16964 1 76 74 ASP . 16964 1 77 75 LYS . 16964 1 78 76 SER . 16964 1 79 77 VAL . 16964 1 80 78 GLN . 16964 1 81 79 LEU . 16964 1 82 80 ALA . 16964 1 83 81 LYS . 16964 1 84 82 SER . 16964 1 85 83 ILE . 16964 1 86 84 VAL . 16964 1 87 85 GLU . 16964 1 88 86 GLU . 16964 1 89 87 ILE . 16964 1 90 88 LEU . 16964 1 91 89 LEU . 16964 1 92 90 LEU . 16964 1 93 91 PHE . 16964 1 94 92 GLU . 16964 1 95 93 SER . 16964 1 96 94 ALA . 16964 1 97 95 GLN . 16964 1 98 96 LYS . 16964 1 99 97 THR . 16964 1 100 98 SER . 16964 1 101 99 LYS . 16964 1 102 100 ARG . 16964 1 103 101 TYR . 16964 1 104 102 GLU . 16964 1 105 103 LEU . 16964 1 106 104 VAL . 16964 1 107 105 ALA . 16964 1 108 106 ASP . 16964 1 109 107 GLN . 16964 1 110 108 GLN . 16964 1 111 109 ASP . 16964 1 112 110 LEU . 16964 1 113 111 VAL . 16964 1 114 112 VAL . 16964 1 115 113 PHE . 16964 1 116 114 GLU . 16964 1 117 115 ASP . 16964 1 118 116 LYS . 16964 1 119 117 ASP . 16964 1 120 118 MET . 16964 1 121 119 LYS . 16964 1 122 120 PRO . 16964 1 123 121 ILE . 16964 1 124 122 GLY . 16964 1 125 123 ARG . 16964 1 126 124 ALA . 16964 1 127 125 LEU . 16964 1 128 126 HIS . 16964 1 129 127 ARG . 16964 1 130 128 ARG . 16964 1 131 129 LEU . 16964 1 132 130 ASN . 16964 1 133 131 ASP . 16964 1 134 132 LEU . 16964 1 135 133 VAL . 16964 1 136 134 SER . 16964 1 137 135 ARG . 16964 1 138 136 ARG . 16964 1 139 137 GLN . 16964 1 140 138 LYS . 16964 1 141 139 GLN . 16964 1 142 140 THR . 16964 1 143 141 SER . 16964 1 144 142 LEU . 16964 1 145 143 ALA . 16964 1 146 144 LYS . 16964 1 147 145 LYS . 16964 1 148 146 THR . 16964 1 149 147 ALA . 16964 1 150 148 TRP . 16964 1 151 149 ALA . 16964 1 152 150 LEU . 16964 1 153 151 TYR . 16964 1 154 152 ASP . 16964 1 155 153 GLY . 16964 1 156 154 LYS . 16964 1 157 155 SER . 16964 1 158 156 LEU . 16964 1 159 157 GLU . 16964 1 160 158 LYS . 16964 1 161 159 ILE . 16964 1 162 160 VAL . 16964 1 163 161 ASP . 16964 1 164 162 GLN . 16964 1 165 163 VAL . 16964 1 166 164 ALA . 16964 1 167 165 ARG . 16964 1 168 166 PHE . 16964 1 169 167 VAL . 16964 1 170 168 ASP . 16964 1 171 169 GLU . 16964 1 172 170 LEU . 16964 1 173 171 GLU . 16964 1 174 172 LYS . 16964 1 175 173 ALA . 16964 1 176 174 PHE . 16964 1 177 175 PRO . 16964 1 178 176 ILE . 16964 1 179 177 GLU . 16964 1 180 178 ALA . 16964 1 181 179 VAL . 16964 1 182 180 CYS . 16964 1 183 181 HIS . 16964 1 184 182 LYS . 16964 1 185 183 LEU . 16964 1 186 184 ALA . 16964 1 187 185 GLU . 16964 1 188 186 ILE . 16964 1 189 187 GLU . 16964 1 190 188 ILE . 16964 1 191 189 GLU . 16964 1 192 190 GLU . 16964 1 193 191 VAL . 16964 1 194 192 GLU . 16964 1 195 193 ASP . 16964 1 196 194 GLU . 16964 1 197 195 ALA . 16964 1 198 196 SER . 16964 1 199 197 LEU . 16964 1 200 198 THR . 16964 1 201 199 ILE . 16964 1 202 200 LEU . 16964 1 203 201 LYS . 16964 1 204 202 ASP . 16964 1 205 203 ALA . 16964 1 206 204 ALA . 16964 1 207 205 GLY . 16964 1 208 206 GLY . 16964 1 209 207 ILE . 16964 1 210 208 ASP . 16964 1 211 209 ALA . 16964 1 212 210 ALA . 16964 1 213 211 MET . 16964 1 214 212 SER . 16964 1 215 213 ASP . 16964 1 216 214 ALA . 16964 1 217 215 ALA . 16964 1 218 216 ALA . 16964 1 219 217 GLN . 16964 1 220 218 LYS . 16964 1 221 219 ILE . 16964 1 222 220 ASP . 16964 1 223 221 ALA . 16964 1 224 222 ILE . 16964 1 225 223 VAL . 16964 1 226 224 GLY . 16964 1 227 225 ARG . 16964 1 228 226 ASN . 16964 1 229 227 SER . 16964 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16964 1 . SER 2 2 16964 1 . MET 3 3 16964 1 . SER 4 4 16964 1 . GLU 5 5 16964 1 . PRO 6 6 16964 1 . PHE 7 7 16964 1 . GLY 8 8 16964 1 . ILE 9 9 16964 1 . VAL 10 10 16964 1 . ALA 11 11 16964 1 . GLY 12 12 16964 1 . ALA 13 13 16964 1 . LEU 14 14 16964 1 . ASN 15 15 16964 1 . VAL 16 16 16964 1 . ALA 17 17 16964 1 . GLY 18 18 16964 1 . LEU 19 19 16964 1 . PHE 20 20 16964 1 . ASN 21 21 16964 1 . ASN 22 22 16964 1 . CYS 23 23 16964 1 . VAL 24 24 16964 1 . ASP 25 25 16964 1 . CYS 26 26 16964 1 . PHE 27 27 16964 1 . GLU 28 28 16964 1 . TYR 29 29 16964 1 . VAL 30 30 16964 1 . GLN 31 31 16964 1 . LEU 32 32 16964 1 . GLY 33 33 16964 1 . ARG 34 34 16964 1 . PRO 35 35 16964 1 . PHE 36 36 16964 1 . GLY 37 37 16964 1 . ARG 38 38 16964 1 . ASP 39 39 16964 1 . TYR 40 40 16964 1 . GLU 41 41 16964 1 . ARG 42 42 16964 1 . CYS 43 43 16964 1 . GLN 44 44 16964 1 . LEU 45 45 16964 1 . ARG 46 46 16964 1 . LEU 47 47 16964 1 . ASP 48 48 16964 1 . ILE 49 49 16964 1 . ALA 50 50 16964 1 . LYS 51 51 16964 1 . ALA 52 52 16964 1 . ARG 53 53 16964 1 . LEU 54 54 16964 1 . SER 55 55 16964 1 . ARG 56 56 16964 1 . TRP 57 57 16964 1 . GLY 58 58 16964 1 . GLU 59 59 16964 1 . ALA 60 60 16964 1 . VAL 61 61 16964 1 . LYS 62 62 16964 1 . ILE 63 63 16964 1 . ASN 64 64 16964 1 . ASP 65 65 16964 1 . ASP 66 66 16964 1 . PRO 67 67 16964 1 . ARG 68 68 16964 1 . PHE 69 69 16964 1 . HIS 70 70 16964 1 . SER 71 71 16964 1 . SER 72 72 16964 1 . ALA 73 73 16964 1 . PRO 74 74 16964 1 . THR 75 75 16964 1 . ASP 76 76 16964 1 . LYS 77 77 16964 1 . SER 78 78 16964 1 . VAL 79 79 16964 1 . GLN 80 80 16964 1 . LEU 81 81 16964 1 . ALA 82 82 16964 1 . LYS 83 83 16964 1 . SER 84 84 16964 1 . ILE 85 85 16964 1 . VAL 86 86 16964 1 . GLU 87 87 16964 1 . GLU 88 88 16964 1 . ILE 89 89 16964 1 . LEU 90 90 16964 1 . LEU 91 91 16964 1 . LEU 92 92 16964 1 . PHE 93 93 16964 1 . GLU 94 94 16964 1 . SER 95 95 16964 1 . ALA 96 96 16964 1 . GLN 97 97 16964 1 . LYS 98 98 16964 1 . THR 99 99 16964 1 . SER 100 100 16964 1 . LYS 101 101 16964 1 . ARG 102 102 16964 1 . TYR 103 103 16964 1 . GLU 104 104 16964 1 . LEU 105 105 16964 1 . VAL 106 106 16964 1 . ALA 107 107 16964 1 . ASP 108 108 16964 1 . GLN 109 109 16964 1 . GLN 110 110 16964 1 . ASP 111 111 16964 1 . LEU 112 112 16964 1 . VAL 113 113 16964 1 . VAL 114 114 16964 1 . PHE 115 115 16964 1 . GLU 116 116 16964 1 . ASP 117 117 16964 1 . LYS 118 118 16964 1 . ASP 119 119 16964 1 . MET 120 120 16964 1 . LYS 121 121 16964 1 . PRO 122 122 16964 1 . ILE 123 123 16964 1 . GLY 124 124 16964 1 . ARG 125 125 16964 1 . ALA 126 126 16964 1 . LEU 127 127 16964 1 . HIS 128 128 16964 1 . ARG 129 129 16964 1 . ARG 130 130 16964 1 . LEU 131 131 16964 1 . ASN 132 132 16964 1 . ASP 133 133 16964 1 . LEU 134 134 16964 1 . VAL 135 135 16964 1 . SER 136 136 16964 1 . ARG 137 137 16964 1 . ARG 138 138 16964 1 . GLN 139 139 16964 1 . LYS 140 140 16964 1 . GLN 141 141 16964 1 . THR 142 142 16964 1 . SER 143 143 16964 1 . LEU 144 144 16964 1 . ALA 145 145 16964 1 . LYS 146 146 16964 1 . LYS 147 147 16964 1 . THR 148 148 16964 1 . ALA 149 149 16964 1 . TRP 150 150 16964 1 . ALA 151 151 16964 1 . LEU 152 152 16964 1 . TYR 153 153 16964 1 . ASP 154 154 16964 1 . GLY 155 155 16964 1 . LYS 156 156 16964 1 . SER 157 157 16964 1 . LEU 158 158 16964 1 . GLU 159 159 16964 1 . LYS 160 160 16964 1 . ILE 161 161 16964 1 . VAL 162 162 16964 1 . ASP 163 163 16964 1 . GLN 164 164 16964 1 . VAL 165 165 16964 1 . ALA 166 166 16964 1 . ARG 167 167 16964 1 . PHE 168 168 16964 1 . VAL 169 169 16964 1 . ASP 170 170 16964 1 . GLU 171 171 16964 1 . LEU 172 172 16964 1 . GLU 173 173 16964 1 . LYS 174 174 16964 1 . ALA 175 175 16964 1 . PHE 176 176 16964 1 . PRO 177 177 16964 1 . ILE 178 178 16964 1 . GLU 179 179 16964 1 . ALA 180 180 16964 1 . VAL 181 181 16964 1 . CYS 182 182 16964 1 . HIS 183 183 16964 1 . LYS 184 184 16964 1 . LEU 185 185 16964 1 . ALA 186 186 16964 1 . GLU 187 187 16964 1 . ILE 188 188 16964 1 . GLU 189 189 16964 1 . ILE 190 190 16964 1 . GLU 191 191 16964 1 . GLU 192 192 16964 1 . VAL 193 193 16964 1 . GLU 194 194 16964 1 . ASP 195 195 16964 1 . GLU 196 196 16964 1 . ALA 197 197 16964 1 . SER 198 198 16964 1 . LEU 199 199 16964 1 . THR 200 200 16964 1 . ILE 201 201 16964 1 . LEU 202 202 16964 1 . LYS 203 203 16964 1 . ASP 204 204 16964 1 . ALA 205 205 16964 1 . ALA 206 206 16964 1 . GLY 207 207 16964 1 . GLY 208 208 16964 1 . ILE 209 209 16964 1 . ASP 210 210 16964 1 . ALA 211 211 16964 1 . ALA 212 212 16964 1 . MET 213 213 16964 1 . SER 214 214 16964 1 . ASP 215 215 16964 1 . ALA 216 216 16964 1 . ALA 217 217 16964 1 . ALA 218 218 16964 1 . GLN 219 219 16964 1 . LYS 220 220 16964 1 . ILE 221 221 16964 1 . ASP 222 222 16964 1 . ALA 223 223 16964 1 . ILE 224 224 16964 1 . VAL 225 225 16964 1 . GLY 226 226 16964 1 . ARG 227 227 16964 1 . ASN 228 228 16964 1 . SER 229 229 16964 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16964 _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 $HET-s . 5145 organism . 'Podospora anserina' ascomycetes . . Eukaryota Fungi Podospora anserina . . . . . . . . . . . . . . . . . . . . . 16964 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 16964 _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 $HET-s . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET . . . . . . 16964 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16964 _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 HET-s '[U-100% 13C; U-100% 15N]' . . 1 $HET-s . . 25 . . mg . . . . 16964 1 2 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 16964 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16964 1 4 DSS 'natural abundance' . . . . . . 1 . . mg . . . . 16964 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 16964 1 6 H2O 'natural abundance' . . . . . . 100 . . % . . . . 16964 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 16964 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 5 mM 16964 1 pH 8.5 0.2 pH 16964 1 pressure 1 . atm 16964 1 temperature 283 . K 16964 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16964 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16964 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16964 1 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 16964 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16964 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 16964 _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 . 850 . . . 16964 1 2 spectrometer_2 Bruker Avance . 600 . . . 16964 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 16964 _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 NCACO' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 2 '3D NCOCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 3 '3D CANCO' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 4 '3D NCACB-DREAM' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 5 '3D N(CO)CACB' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 6 '3D CAN(CO)CA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 7 '3D CCC' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 8 '3D NCACX-DARR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 1 9 '3D N(CA)CBCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16964 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 16964 _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 . indirect 0.251449530 . . . . . . . . . 16964 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16964 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 16964 _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 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 NCACO' . . . 16964 1 2 '3D NCOCA' . . . 16964 1 3 '3D CANCO' . . . 16964 1 4 '3D NCACB-DREAM' . . . 16964 1 5 '3D N(CO)CACB' . . . 16964 1 6 '3D CAN(CO)CA' . . . 16964 1 7 '3D CCC' . . . 16964 1 8 '3D NCACX-DARR' . . . 16964 1 9 '3D N(CA)CBCX' . . . 16964 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 15 15 ASN C C 13 174.4 0.2 . 1 . . . . 13 N C . 16964 1 2 . 1 1 15 15 ASN CA C 13 50.7 0.2 . 1 . . . . 13 N CA . 16964 1 3 . 1 1 16 16 VAL C C 13 177.1 0.2 . 1 . . . . 14 V C . 16964 1 4 . 1 1 16 16 VAL CA C 13 68.0 0.2 . 1 . . . . 14 V CA . 16964 1 5 . 1 1 16 16 VAL CB C 13 31.1 0.2 . 1 . . . . 14 V CB . 16964 1 6 . 1 1 16 16 VAL CG1 C 13 21.7 0.2 . 2 . . . . 14 V CG1 . 16964 1 7 . 1 1 16 16 VAL CG2 C 13 23.1 0.2 . 2 . . . . 14 V CG2 . 16964 1 8 . 1 1 16 16 VAL N N 15 116.9 0.2 . 1 . . . . 14 V N . 16964 1 9 . 1 1 17 17 ALA C C 13 177.2 0.2 . 1 . . . . 15 A C . 16964 1 10 . 1 1 17 17 ALA CA C 13 55.7 0.2 . 1 . . . . 15 A CA . 16964 1 11 . 1 1 17 17 ALA CB C 13 17.7 0.2 . 1 . . . . 15 A CB . 16964 1 12 . 1 1 17 17 ALA N N 15 121.2 0.2 . 1 . . . . 15 A N . 16964 1 13 . 1 1 18 18 GLY CA C 13 47.2 0.2 . 1 . . . . 16 G CA . 16964 1 14 . 1 1 18 18 GLY N N 15 107.1 0.2 . 1 . . . . 16 G N . 16964 1 15 . 1 1 19 19 LEU C C 13 178.6 0.2 . 1 . . . . 17 L C . 16964 1 16 . 1 1 19 19 LEU CA C 13 58.6 0.2 . 1 . . . . 17 L CA . 16964 1 17 . 1 1 19 19 LEU CB C 13 42.9 0.2 . 1 . . . . 17 L CB . 16964 1 18 . 1 1 19 19 LEU CD1 C 13 23.9 0.2 . 2 . . . . 17 L CD1 . 16964 1 19 . 1 1 19 19 LEU CG C 13 26.4 0.2 . 1 . . . . 17 L CG . 16964 1 20 . 1 1 19 19 LEU N N 15 126.5 0.2 . 1 . . . . 17 L N . 16964 1 21 . 1 1 20 20 PHE C C 13 176.6 0.2 . 1 . . . . 18 F C . 16964 1 22 . 1 1 20 20 PHE CA C 13 62.3 0.2 . 1 . . . . 18 F CA . 16964 1 23 . 1 1 20 20 PHE CB C 13 39.3 0.2 . 1 . . . . 18 F CB . 16964 1 24 . 1 1 20 20 PHE CG C 13 137.3 0.2 . 1 . . . . 18 F CG . 16964 1 25 . 1 1 20 20 PHE N N 15 120.5 0.2 . 1 . . . . 18 F N . 16964 1 26 . 1 1 21 21 ASN CA C 13 56.6 0.2 . 1 . . . . 19 N CA . 16964 1 27 . 1 1 21 21 ASN CB C 13 38.1 0.2 . 1 . . . . 19 N CB . 16964 1 28 . 1 1 21 21 ASN N N 15 118.9 0.2 . 1 . . . . 19 N N . 16964 1 29 . 1 1 22 22 ASN C C 13 175.8 0.2 . 1 . . . . 20 N C . 16964 1 30 . 1 1 22 22 ASN CA C 13 57.9 0.2 . 1 . . . . 20 N CA . 16964 1 31 . 1 1 22 22 ASN CB C 13 40.1 0.2 . 1 . . . . 20 N CB . 16964 1 32 . 1 1 22 22 ASN N N 15 117.9 0.2 . 1 . . . . 20 N N . 16964 1 33 . 1 1 23 23 CYS C C 13 175.9 0.2 . 1 . . . . 21 C C . 16964 1 34 . 1 1 23 23 CYS CA C 13 63.7 0.2 . 1 . . . . 21 C CA . 16964 1 35 . 1 1 23 23 CYS CB C 13 26.6 0.2 . 1 . . . . 21 C CB . 16964 1 36 . 1 1 23 23 CYS N N 15 122.2 0.2 . 1 . . . . 21 C N . 16964 1 37 . 1 1 24 24 VAL C C 13 178.7 0.2 . 1 . . . . 22 V C . 16964 1 38 . 1 1 24 24 VAL CA C 13 66.8 0.2 . 1 . . . . 22 V CA . 16964 1 39 . 1 1 24 24 VAL CB C 13 31.8 0.2 . 1 . . . . 22 V CB . 16964 1 40 . 1 1 24 24 VAL CG1 C 13 22.9 0.2 . 2 . . . . 22 V CG1 . 16964 1 41 . 1 1 24 24 VAL CG2 C 13 22.0 0.2 . 2 . . . . 22 V CG2 . 16964 1 42 . 1 1 24 24 VAL N N 15 117.8 0.2 . 1 . . . . 22 V N . 16964 1 43 . 1 1 25 25 ASP C C 13 178.6 0.2 . 1 . . . . 23 D C . 16964 1 44 . 1 1 25 25 ASP CA C 13 56.5 0.2 . 1 . . . . 23 D CA . 16964 1 45 . 1 1 25 25 ASP CB C 13 44.1 0.2 . 1 . . . . 23 D CB . 16964 1 46 . 1 1 25 25 ASP N N 15 117.2 0.2 . 1 . . . . 23 D N . 16964 1 47 . 1 1 26 26 CYS C C 13 178.2 0.2 . 1 . . . . 24 C C . 16964 1 48 . 1 1 26 26 CYS CA C 13 65.2 0.2 . 1 . . . . 24 C CA . 16964 1 49 . 1 1 26 26 CYS CB C 13 26.0 0.2 . 1 . . . . 24 C CB . 16964 1 50 . 1 1 26 26 CYS N N 15 115.2 0.2 . 1 . . . . 24 C N . 16964 1 51 . 1 1 27 27 PHE C C 13 177.5 0.2 . 1 . . . . 25 F C . 16964 1 52 . 1 1 27 27 PHE CA C 13 62.1 0.2 . 1 . . . . 25 F CA . 16964 1 53 . 1 1 27 27 PHE CB C 13 39.9 0.2 . 1 . . . . 25 F CB . 16964 1 54 . 1 1 27 27 PHE CD1 C 13 128.6 0.2 . 3 . . . . 25 F CD1 . 16964 1 55 . 1 1 27 27 PHE CG C 13 140.6 0.2 . 1 . . . . 25 F CG . 16964 1 56 . 1 1 27 27 PHE N N 15 114.4 0.2 . 1 . . . . 25 F N . 16964 1 57 . 1 1 28 28 GLU C C 13 176.6 0.2 . 1 . . . . 26 E C . 16964 1 58 . 1 1 28 28 GLU CA C 13 56.7 0.2 . 1 . . . . 26 E CA . 16964 1 59 . 1 1 28 28 GLU CB C 13 28.5 0.2 . 1 . . . . 26 E CB . 16964 1 60 . 1 1 28 28 GLU CD C 13 183.3 0.2 . 1 . . . . 26 E CD . 16964 1 61 . 1 1 28 28 GLU CG C 13 35.2 0.2 . 1 . . . . 26 E CG . 16964 1 62 . 1 1 28 28 GLU N N 15 116.1 0.2 . 1 . . . . 26 E N . 16964 1 63 . 1 1 29 29 TYR C C 13 171.9 0.2 . 1 . . . . 27 Y C . 16964 1 64 . 1 1 29 29 TYR CA C 13 58.8 0.2 . 1 . . . . 27 Y CA . 16964 1 65 . 1 1 29 29 TYR CB C 13 39.5 0.2 . 1 . . . . 27 Y CB . 16964 1 66 . 1 1 29 29 TYR CD1 C 13 132.6 0.2 . 3 . . . . 27 Y CD1 . 16964 1 67 . 1 1 29 29 TYR CE1 C 13 118.2 0.2 . 3 . . . . 27 Y CE1 . 16964 1 68 . 1 1 29 29 TYR CG C 13 131.1 0.2 . 1 . . . . 27 Y CG . 16964 1 69 . 1 1 29 29 TYR CZ C 13 157.2 0.2 . 1 . . . . 27 Y CZ . 16964 1 70 . 1 1 29 29 TYR N N 15 116.3 0.2 . 1 . . . . 27 Y N . 16964 1 71 . 1 1 30 30 VAL C C 13 175.2 0.2 . 1 . . . . 28 V C . 16964 1 72 . 1 1 30 30 VAL CA C 13 61.5 0.2 . 1 . . . . 28 V CA . 16964 1 73 . 1 1 30 30 VAL CB C 13 32.0 0.2 . 1 . . . . 28 V CB . 16964 1 74 . 1 1 30 30 VAL CG1 C 13 21.3 0.2 . 2 . . . . 28 V CG1 . 16964 1 75 . 1 1 30 30 VAL CG2 C 13 21.2 0.2 . 2 . . . . 28 V CG2 . 16964 1 76 . 1 1 30 30 VAL N N 15 117.9 0.2 . 1 . . . . 28 V N . 16964 1 77 . 1 1 31 31 GLN C C 13 173.6 0.2 . 1 . . . . 29 Q C . 16964 1 78 . 1 1 31 31 GLN CA C 13 53.1 0.2 . 1 . . . . 29 Q CA . 16964 1 79 . 1 1 31 31 GLN CB C 13 31.1 0.2 . 1 . . . . 29 Q CB . 16964 1 80 . 1 1 31 31 GLN CD C 13 179.2 0.2 . 1 . . . . 29 Q CD . 16964 1 81 . 1 1 31 31 GLN CG C 13 33.8 0.2 . 1 . . . . 29 Q CG . 16964 1 82 . 1 1 31 31 GLN N N 15 127.9 0.2 . 1 . . . . 29 Q N . 16964 1 83 . 1 1 32 32 LEU C C 13 175.8 0.2 . 1 . . . . 30 L C . 16964 1 84 . 1 1 32 32 LEU CA C 13 54.5 0.2 . 1 . . . . 30 L CA . 16964 1 85 . 1 1 32 32 LEU CB C 13 41.0 0.2 . 1 . . . . 30 L CB . 16964 1 86 . 1 1 32 32 LEU CD1 C 13 24.4 0.2 . 2 . . . . 30 L CD1 . 16964 1 87 . 1 1 32 32 LEU CD2 C 13 25.2 0.2 . 2 . . . . 30 L CD2 . 16964 1 88 . 1 1 32 32 LEU CG C 13 28.5 0.2 . 1 . . . . 30 L CG . 16964 1 89 . 1 1 32 32 LEU N N 15 122.1 0.2 . 1 . . . . 30 L N . 16964 1 90 . 1 1 33 33 GLY C C 13 172.3 0.2 . 1 . . . . 31 G C . 16964 1 91 . 1 1 33 33 GLY CA C 13 43.6 0.2 . 1 . . . . 31 G CA . 16964 1 92 . 1 1 33 33 GLY N N 15 107.1 0.2 . 1 . . . . 31 G N . 16964 1 93 . 1 1 34 34 ARG C C 13 175.1 0.2 . 1 . . . . 32 R C . 16964 1 94 . 1 1 34 34 ARG CA C 13 59.5 0.2 . 1 . . . . 32 R CA . 16964 1 95 . 1 1 34 34 ARG CB C 13 29.3 0.2 . 1 . . . . 32 R CB . 16964 1 96 . 1 1 34 34 ARG CD C 13 42.7 0.2 . 1 . . . . 32 R CD . 16964 1 97 . 1 1 34 34 ARG CG C 13 27.1 0.2 . 1 . . . . 32 R CG . 16964 1 98 . 1 1 34 34 ARG N N 15 120.0 0.2 . 1 . . . . 32 R N . 16964 1 99 . 1 1 35 35 PRO C C 13 177.7 0.2 . 1 . . . . 33 P C . 16964 1 100 . 1 1 35 35 PRO CA C 13 65.5 0.2 . 1 . . . . 33 P CA . 16964 1 101 . 1 1 35 35 PRO CB C 13 31.2 0.2 . 1 . . . . 33 P CB . 16964 1 102 . 1 1 35 35 PRO CD C 13 51.2 0.2 . 1 . . . . 33 P CD . 16964 1 103 . 1 1 35 35 PRO CG C 13 28.6 0.2 . 1 . . . . 33 P CG . 16964 1 104 . 1 1 35 35 PRO N N 15 136.1 0.2 . 1 . . . . 33 P N . 16964 1 105 . 1 1 36 36 PHE C C 13 177.9 0.2 . 1 . . . . 34 F C . 16964 1 106 . 1 1 36 36 PHE CA C 13 62.8 0.2 . 1 . . . . 34 F CA . 16964 1 107 . 1 1 36 36 PHE CB C 13 39.0 0.2 . 1 . . . . 34 F CB . 16964 1 108 . 1 1 36 36 PHE CD1 C 13 130.9 0.2 . 3 . . . . 34 F CD1 . 16964 1 109 . 1 1 36 36 PHE CG C 13 140.8 0.2 . 1 . . . . 34 F CG . 16964 1 110 . 1 1 36 36 PHE N N 15 113.6 0.2 . 1 . . . . 34 F N . 16964 1 111 . 1 1 37 37 GLY C C 13 175.4 0.2 . 1 . . . . 35 G C . 16964 1 112 . 1 1 37 37 GLY CA C 13 47.2 0.2 . 1 . . . . 35 G CA . 16964 1 113 . 1 1 37 37 GLY N N 15 107.2 0.2 . 1 . . . . 35 G N . 16964 1 114 . 1 1 38 38 ARG C C 13 177.4 0.2 . 1 . . . . 36 R C . 16964 1 115 . 1 1 38 38 ARG CA C 13 57.4 0.2 . 1 . . . . 36 R CA . 16964 1 116 . 1 1 38 38 ARG CB C 13 29.5 0.2 . 1 . . . . 36 R CB . 16964 1 117 . 1 1 38 38 ARG CD C 13 43.2 0.2 . 1 . . . . 36 R CD . 16964 1 118 . 1 1 38 38 ARG CG C 13 27.0 0.2 . 1 . . . . 36 R CG . 16964 1 119 . 1 1 38 38 ARG N N 15 125.0 0.2 . 1 . . . . 36 R N . 16964 1 120 . 1 1 39 39 ASP C C 13 174.8 0.2 . 1 . . . . 37 D C . 16964 1 121 . 1 1 39 39 ASP CA C 13 55.1 0.2 . 1 . . . . 37 D CA . 16964 1 122 . 1 1 39 39 ASP CB C 13 41.5 0.2 . 1 . . . . 37 D CB . 16964 1 123 . 1 1 39 39 ASP CG C 13 180.3 0.2 . 1 . . . . 37 D CG . 16964 1 124 . 1 1 39 39 ASP N N 15 120.3 0.2 . 1 . . . . 37 D N . 16964 1 125 . 1 1 40 40 TYR C C 13 174.5 0.2 . 1 . . . . 38 Y C . 16964 1 126 . 1 1 40 40 TYR CA C 13 61.0 0.2 . 1 . . . . 38 Y CA . 16964 1 127 . 1 1 40 40 TYR CB C 13 36.7 0.2 . 1 . . . . 38 Y CB . 16964 1 128 . 1 1 40 40 TYR CD1 C 13 133.0 0.2 . . . . . . 38 Y CD . 16964 1 129 . 1 1 40 40 TYR CD2 C 13 133.0 0.2 . . . . . . 38 Y CD . 16964 1 130 . 1 1 40 40 TYR CE1 C 13 117.9 0.2 . 3 . . . . 38 Y CE1 . 16964 1 131 . 1 1 40 40 TYR CG C 13 128.3 0.2 . 1 . . . . 38 Y CG . 16964 1 132 . 1 1 40 40 TYR CZ C 13 158.2 0.2 . 1 . . . . 38 Y CZ . 16964 1 133 . 1 1 40 40 TYR N N 15 120.5 0.2 . 1 . . . . 38 Y N . 16964 1 134 . 1 1 41 41 GLU C C 13 176.6 0.2 . 1 . . . . 39 E C . 16964 1 135 . 1 1 41 41 GLU CA C 13 60.4 0.2 . 1 . . . . 39 E CA . 16964 1 136 . 1 1 41 41 GLU CB C 13 30.5 0.2 . 1 . . . . 39 E CB . 16964 1 137 . 1 1 41 41 GLU CG C 13 35.8 0.2 . 1 . . . . 39 E CG . 16964 1 138 . 1 1 41 41 GLU N N 15 119.1 0.2 . 1 . . . . 39 E N . 16964 1 139 . 1 1 42 42 ARG C C 13 177.4 0.2 . 1 . . . . 40 R C . 16964 1 140 . 1 1 42 42 ARG CA C 13 59.3 0.2 . 1 . . . . 40 R CA . 16964 1 141 . 1 1 42 42 ARG CB C 13 29.7 0.2 . 1 . . . . 40 R CB . 16964 1 142 . 1 1 42 42 ARG CD C 13 44.0 0.2 . 1 . . . . 40 R CD . 16964 1 143 . 1 1 42 42 ARG CG C 13 26.0 0.2 . 1 . . . . 40 R CG . 16964 1 144 . 1 1 42 42 ARG CZ C 13 159.6 0.2 . 1 . . . . 40 R CZ . 16964 1 145 . 1 1 42 42 ARG N N 15 117.1 0.2 . 1 . . . . 40 R N . 16964 1 146 . 1 1 43 43 CYS C C 13 175.8 0.2 . 1 . . . . 41 C C . 16964 1 147 . 1 1 43 43 CYS CA C 13 65.4 0.2 . 1 . . . . 41 C CA . 16964 1 148 . 1 1 43 43 CYS CB C 13 27.1 0.2 . 1 . . . . 41 C CB . 16964 1 149 . 1 1 43 43 CYS N N 15 115.6 0.2 . 1 . . . . 41 C N . 16964 1 150 . 1 1 44 44 GLN CA C 13 57.6 0.2 . 1 . . . . 42 Q CA . 16964 1 151 . 1 1 44 44 GLN CB C 13 28.1 0.2 . 1 . . . . 42 Q CB . 16964 1 152 . 1 1 44 44 GLN CG C 13 34.1 0.2 . 1 . . . . 42 Q CG . 16964 1 153 . 1 1 44 44 GLN N N 15 119.5 0.2 . 1 . . . . 42 Q N . 16964 1 154 . 1 1 45 45 LEU C C 13 178.9 0.2 . 1 . . . . 43 L C . 16964 1 155 . 1 1 45 45 LEU CA C 13 57.5 0.2 . 1 . . . . 43 L CA . 16964 1 156 . 1 1 45 45 LEU CB C 13 40.7 0.2 . 1 . . . . 43 L CB . 16964 1 157 . 1 1 45 45 LEU CD1 C 13 22.4 0.2 . 2 . . . . 43 L CD1 . 16964 1 158 . 1 1 45 45 LEU CD2 C 13 25.9 0.2 . 2 . . . . 43 L CD2 . 16964 1 159 . 1 1 45 45 LEU CG C 13 26.9 0.2 . 1 . . . . 43 L CG . 16964 1 160 . 1 1 45 45 LEU N N 15 119.1 0.2 . 1 . . . . 43 L N . 16964 1 161 . 1 1 46 46 ARG C C 13 178.3 0.2 . 1 . . . . 44 R C . 16964 1 162 . 1 1 46 46 ARG CA C 13 60.7 0.2 . 1 . . . . 44 R CA . 16964 1 163 . 1 1 46 46 ARG CB C 13 29.5 0.2 . 1 . . . . 44 R CB . 16964 1 164 . 1 1 46 46 ARG CD C 13 43.8 0.2 . 1 . . . . 44 R CD . 16964 1 165 . 1 1 46 46 ARG CZ C 13 160.7 0.2 . 1 . . . . 44 R CZ . 16964 1 166 . 1 1 46 46 ARG N N 15 118.6 0.2 . 1 . . . . 44 R N . 16964 1 167 . 1 1 47 47 LEU CA C 13 58.5 0.2 . 1 . . . . 45 L CA . 16964 1 168 . 1 1 47 47 LEU CB C 13 41.9 0.2 . 1 . . . . 45 L CB . 16964 1 169 . 1 1 47 47 LEU CD1 C 13 23.4 0.2 . 2 . . . . 45 L CD1 . 16964 1 170 . 1 1 47 47 LEU CD2 C 13 23.4 0.2 . 2 . . . . 45 L CD2 . 16964 1 171 . 1 1 47 47 LEU CG C 13 26.4 0.2 . 1 . . . . 45 L CG . 16964 1 172 . 1 1 47 47 LEU N N 15 120.1 0.2 . 1 . . . . 45 L N . 16964 1 173 . 1 1 48 48 ASP C C 13 178.7 0.2 . 1 . . . . 46 D C . 16964 1 174 . 1 1 48 48 ASP CA C 13 56.6 0.2 . 1 . . . . 46 D CA . 16964 1 175 . 1 1 48 48 ASP CB C 13 41.9 0.2 . 1 . . . . 46 D CB . 16964 1 176 . 1 1 48 48 ASP N N 15 117.7 0.2 . 1 . . . . 46 D N . 16964 1 177 . 1 1 49 49 ILE C C 13 177.1 0.2 . 1 . . . . 47 I C . 16964 1 178 . 1 1 49 49 ILE CA C 13 64.9 0.2 . 1 . . . . 47 I CA . 16964 1 179 . 1 1 49 49 ILE CB C 13 38.3 0.2 . 1 . . . . 47 I CB . 16964 1 180 . 1 1 49 49 ILE CD1 C 13 14.3 0.2 . 1 . . . . 47 I CD1 . 16964 1 181 . 1 1 49 49 ILE CG1 C 13 30.1 0.2 . 1 . . . . 47 I CG1 . 16964 1 182 . 1 1 49 49 ILE CG2 C 13 18.1 0.2 . 1 . . . . 47 I CG2 . 16964 1 183 . 1 1 49 49 ILE N N 15 122.7 0.2 . 1 . . . . 47 I N . 16964 1 184 . 1 1 50 50 ALA C C 13 178.2 0.2 . 1 . . . . 48 A C . 16964 1 185 . 1 1 50 50 ALA CA C 13 55.8 0.2 . 1 . . . . 48 A CA . 16964 1 186 . 1 1 50 50 ALA CB C 13 17.0 0.2 . 1 . . . . 48 A CB . 16964 1 187 . 1 1 50 50 ALA N N 15 124.1 0.2 . 1 . . . . 48 A N . 16964 1 188 . 1 1 51 51 LYS C C 13 178.2 0.2 . 1 . . . . 49 K C . 16964 1 189 . 1 1 51 51 LYS CA C 13 59.3 0.2 . 1 . . . . 49 K CA . 16964 1 190 . 1 1 51 51 LYS CB C 13 31.6 0.2 . 1 . . . . 49 K CB . 16964 1 191 . 1 1 51 51 LYS CD C 13 30.2 0.2 . 1 . . . . 49 K CD . 16964 1 192 . 1 1 51 51 LYS CE C 13 40.4 0.2 . 1 . . . . 49 K CE . 16964 1 193 . 1 1 51 51 LYS CG C 13 24.0 0.2 . 1 . . . . 49 K CG . 16964 1 194 . 1 1 51 51 LYS N N 15 117.7 0.2 . 1 . . . . 49 K N . 16964 1 195 . 1 1 52 52 ALA C C 13 179.2 0.2 . 1 . . . . 50 A C . 16964 1 196 . 1 1 52 52 ALA CA C 13 55.2 0.2 . 1 . . . . 50 A CA . 16964 1 197 . 1 1 52 52 ALA CB C 13 16.7 0.2 . 1 . . . . 50 A CB . 16964 1 198 . 1 1 52 52 ALA N N 15 123.5 0.2 . 1 . . . . 50 A N . 16964 1 199 . 1 1 53 53 ARG C C 13 179.6 0.2 . 1 . . . . 51 R C . 16964 1 200 . 1 1 53 53 ARG CA C 13 61.1 0.2 . 1 . . . . 51 R CA . 16964 1 201 . 1 1 53 53 ARG CB C 13 29.4 0.2 . 1 . . . . 51 R CB . 16964 1 202 . 1 1 53 53 ARG N N 15 121.3 0.2 . 1 . . . . 51 R N . 16964 1 203 . 1 1 55 55 SER C C 13 176.8 0.2 . 1 . . . . 53 S C . 16964 1 204 . 1 1 55 55 SER CA C 13 61.4 0.2 . 1 . . . . 53 S CA . 16964 1 205 . 1 1 55 55 SER CB C 13 62.9 0.2 . 1 . . . . 53 S CB . 16964 1 206 . 1 1 55 55 SER N N 15 113.9 0.2 . 1 . . . . 53 S N . 16964 1 207 . 1 1 56 56 ARG C C 13 177.3 0.2 . 1 . . . . 54 R C . 16964 1 208 . 1 1 56 56 ARG CA C 13 59.6 0.2 . 1 . . . . 54 R CA . 16964 1 209 . 1 1 56 56 ARG CB C 13 30.7 0.2 . 1 . . . . 54 R CB . 16964 1 210 . 1 1 56 56 ARG CG C 13 27.3 0.2 . 1 . . . . 54 R CG . 16964 1 211 . 1 1 56 56 ARG N N 15 126.9 0.2 . 1 . . . . 54 R N . 16964 1 212 . 1 1 57 57 TRP C C 13 176.6 0.2 . 1 . . . . 55 W C . 16964 1 213 . 1 1 57 57 TRP CA C 13 63.0 0.2 . 1 . . . . 55 W CA . 16964 1 214 . 1 1 57 57 TRP CB C 13 26.1 0.2 . 1 . . . . 55 W CB . 16964 1 215 . 1 1 57 57 TRP CD1 C 13 123.2 0.2 . 1 . . . . 55 W CD1 . 16964 1 216 . 1 1 57 57 TRP CD2 C 13 124.7 0.2 . 1 . . . . 55 W CD2 . 16964 1 217 . 1 1 57 57 TRP CE2 C 13 138.4 0.2 . 1 . . . . 55 W CE2 . 16964 1 218 . 1 1 57 57 TRP CG C 13 113.8 0.2 . 1 . . . . 55 W CG . 16964 1 219 . 1 1 57 57 TRP N N 15 120.2 0.2 . 1 . . . . 55 W N . 16964 1 220 . 1 1 58 58 GLY C C 13 175.1 0.2 . 1 . . . . 56 G C . 16964 1 221 . 1 1 58 58 GLY CA C 13 46.4 0.2 . 1 . . . . 56 G CA . 16964 1 222 . 1 1 58 58 GLY N N 15 102.6 0.2 . 1 . . . . 56 G N . 16964 1 223 . 1 1 59 59 GLU CA C 13 58.2 0.2 . 1 . . . . 57 E CA . 16964 1 224 . 1 1 59 59 GLU CB C 13 28.8 0.2 . 1 . . . . 57 E CB . 16964 1 225 . 1 1 59 59 GLU N N 15 121.3 0.2 . 1 . . . . 57 E N . 16964 1 226 . 1 1 60 60 ALA C C 13 178.8 0.2 . 1 . . . . 58 A C . 16964 1 227 . 1 1 60 60 ALA CA C 13 55.0 0.2 . 1 . . . . 58 A CA . 16964 1 228 . 1 1 60 60 ALA CB C 13 20.3 0.2 . 1 . . . . 58 A CB . 16964 1 229 . 1 1 60 60 ALA N N 15 123.8 0.2 . 1 . . . . 58 A N . 16964 1 230 . 1 1 61 61 VAL C C 13 174.2 0.2 . 1 . . . . 59 V C . 16964 1 231 . 1 1 61 61 VAL CA C 13 60.4 0.2 . 1 . . . . 59 V CA . 16964 1 232 . 1 1 61 61 VAL CB C 13 31.3 0.2 . 1 . . . . 59 V CB . 16964 1 233 . 1 1 61 61 VAL CG1 C 13 17.6 0.2 . 2 . . . . 59 V CG1 . 16964 1 234 . 1 1 61 61 VAL CG2 C 13 20.3 0.2 . 2 . . . . 59 V CG2 . 16964 1 235 . 1 1 61 61 VAL N N 15 108.1 0.2 . 1 . . . . 59 V N . 16964 1 236 . 1 1 62 62 LYS C C 13 176.2 0.2 . 1 . . . . 60 K C . 16964 1 237 . 1 1 62 62 LYS CA C 13 55.9 0.2 . 1 . . . . 60 K CA . 16964 1 238 . 1 1 62 62 LYS CB C 13 28.6 0.2 . 1 . . . . 60 K CB . 16964 1 239 . 1 1 62 62 LYS CG C 13 24.2 0.2 . 1 . . . . 60 K CG . 16964 1 240 . 1 1 62 62 LYS N N 15 118.1 0.2 . 1 . . . . 60 K N . 16964 1 241 . 1 1 63 63 ILE C C 13 174.6 0.2 . 1 . . . . 61 I C . 16964 1 242 . 1 1 63 63 ILE CA C 13 62.8 0.2 . 1 . . . . 61 I CA . 16964 1 243 . 1 1 63 63 ILE CB C 13 38.2 0.2 . 1 . . . . 61 I CB . 16964 1 244 . 1 1 63 63 ILE CD1 C 13 14.2 0.2 . 1 . . . . 61 I CD1 . 16964 1 245 . 1 1 63 63 ILE CG1 C 13 28.1 0.2 . 1 . . . . 61 I CG1 . 16964 1 246 . 1 1 63 63 ILE CG2 C 13 16.3 0.2 . 1 . . . . 61 I CG2 . 16964 1 247 . 1 1 63 63 ILE N N 15 119.5 0.2 . 1 . . . . 61 I N . 16964 1 248 . 1 1 64 64 ASN C C 13 175.1 0.2 . 1 . . . . 62 N C . 16964 1 249 . 1 1 64 64 ASN CA C 13 55.0 0.2 . 1 . . . . 62 N CA . 16964 1 250 . 1 1 64 64 ASN CB C 13 39.1 0.2 . 1 . . . . 62 N CB . 16964 1 251 . 1 1 64 64 ASN CG C 13 176.7 0.2 . 1 . . . . 62 N CG . 16964 1 252 . 1 1 64 64 ASN N N 15 114.4 0.2 . 1 . . . . 62 N N . 16964 1 253 . 1 1 65 65 ASP C C 13 175.3 0.2 . 1 . . . . 63 D C . 16964 1 254 . 1 1 65 65 ASP CA C 13 58.6 0.2 . 1 . . . . 63 D CA . 16964 1 255 . 1 1 65 65 ASP CB C 13 40.3 0.2 . 1 . . . . 63 D CB . 16964 1 256 . 1 1 65 65 ASP CG C 13 180.5 0.2 . 1 . . . . 63 D CG . 16964 1 257 . 1 1 65 65 ASP N N 15 117.0 0.2 . 1 . . . . 63 D N . 16964 1 258 . 1 1 66 66 ASP C C 13 175.2 0.2 . 1 . . . . 64 D C . 16964 1 259 . 1 1 66 66 ASP CA C 13 51.5 0.2 . 1 . . . . 64 D CA . 16964 1 260 . 1 1 66 66 ASP CB C 13 41.6 0.2 . 1 . . . . 64 D CB . 16964 1 261 . 1 1 66 66 ASP CG C 13 179.6 0.2 . 1 . . . . 64 D CG . 16964 1 262 . 1 1 66 66 ASP N N 15 122.8 0.2 . 1 . . . . 64 D N . 16964 1 263 . 1 1 67 67 PRO C C 13 179.4 0.2 . 1 . . . . 65 P C . 16964 1 264 . 1 1 67 67 PRO CA C 13 63.9 0.2 . 1 . . . . 65 P CA . 16964 1 265 . 1 1 67 67 PRO CB C 13 32.2 0.2 . 1 . . . . 65 P CB . 16964 1 266 . 1 1 67 67 PRO CD C 13 51.5 0.2 . 1 . . . . 65 P CD . 16964 1 267 . 1 1 67 67 PRO CG C 13 27.0 0.2 . 1 . . . . 65 P CG . 16964 1 268 . 1 1 67 67 PRO N N 15 137.6 0.2 . 1 . . . . 65 P N . 16964 1 269 . 1 1 68 68 ARG C C 13 178.4 0.2 . 1 . . . . 66 R C . 16964 1 270 . 1 1 68 68 ARG CA C 13 58.6 0.2 . 1 . . . . 66 R CA . 16964 1 271 . 1 1 68 68 ARG CB C 13 30.7 0.2 . 1 . . . . 66 R CB . 16964 1 272 . 1 1 68 68 ARG CZ C 13 160.0 0.2 . 1 . . . . 66 R CZ . 16964 1 273 . 1 1 68 68 ARG N N 15 120.4 0.2 . 1 . . . . 66 R N . 16964 1 274 . 1 1 69 69 PHE C C 13 175.5 0.2 . 1 . . . . 67 F C . 16964 1 275 . 1 1 69 69 PHE CA C 13 58.7 0.2 . 1 . . . . 67 F CA . 16964 1 276 . 1 1 69 69 PHE CB C 13 39.2 0.2 . 1 . . . . 67 F CB . 16964 1 277 . 1 1 69 69 PHE CD1 C 13 129.6 0.2 . 3 . . . . 67 F CD1 . 16964 1 278 . 1 1 69 69 PHE CD2 C 13 131.2 0.2 . 3 . . . . 67 F CD2 . 16964 1 279 . 1 1 69 69 PHE CG C 13 139.7 0.2 . 1 . . . . 67 F CG . 16964 1 280 . 1 1 69 69 PHE N N 15 113.5 0.2 . 1 . . . . 67 F N . 16964 1 281 . 1 1 70 70 HIS CA C 13 55.3 0.2 . 1 . . . . 68 H CA . 16964 1 282 . 1 1 70 70 HIS CB C 13 30.8 0.2 . 1 . . . . 68 H CB . 16964 1 283 . 1 1 70 70 HIS CG C 13 131.0 0.2 . 1 . . . . 68 H CG . 16964 1 284 . 1 1 70 70 HIS N N 15 120.4 0.2 . 1 . . . . 68 H N . 16964 1 285 . 1 1 71 71 SER C C 13 175.1 0.2 . 1 . . . . 69 S C . 16964 1 286 . 1 1 71 71 SER CA C 13 56.1 0.2 . 1 . . . . 69 S CA . 16964 1 287 . 1 1 71 71 SER CB C 13 65.3 0.2 . 1 . . . . 69 S CB . 16964 1 288 . 1 1 71 71 SER N N 15 112.9 0.2 . 1 . . . . 69 S N . 16964 1 289 . 1 1 72 72 SER CA C 13 59.0 0.2 . 1 . . . . 70 S CA . 16964 1 290 . 1 1 72 72 SER CB C 13 63.6 0.2 . 1 . . . . 70 S CB . 16964 1 291 . 1 1 72 72 SER N N 15 120.3 0.2 . 1 . . . . 70 S N . 16964 1 292 . 1 1 73 73 ALA CA C 13 49.7 0.2 . 1 . . . . 71 A CA . 16964 1 293 . 1 1 73 73 ALA CB C 13 18.9 0.2 . 1 . . . . 71 A CB . 16964 1 294 . 1 1 73 73 ALA N N 15 126.0 0.2 . 1 . . . . 71 A N . 16964 1 295 . 1 1 74 74 PRO C C 13 177.2 0.2 . 1 . . . . 72 P C . 16964 1 296 . 1 1 74 74 PRO CA C 13 62.7 0.2 . 1 . . . . 72 P CA . 16964 1 297 . 1 1 74 74 PRO CB C 13 32.4 0.2 . 1 . . . . 72 P CB . 16964 1 298 . 1 1 74 74 PRO CD C 13 49.7 0.2 . 1 . . . . 72 P CD . 16964 1 299 . 1 1 74 74 PRO CG C 13 27.7 0.2 . 1 . . . . 72 P CG . 16964 1 300 . 1 1 74 74 PRO N N 15 135.4 0.2 . 1 . . . . 72 P N . 16964 1 301 . 1 1 75 75 THR C C 13 175.1 0.2 . 1 . . . . 73 T C . 16964 1 302 . 1 1 75 75 THR CA C 13 61.9 0.2 . 1 . . . . 73 T CA . 16964 1 303 . 1 1 75 75 THR CB C 13 69.4 0.2 . 1 . . . . 73 T CB . 16964 1 304 . 1 1 75 75 THR N N 15 111.4 0.2 . 1 . . . . 73 T N . 16964 1 305 . 1 1 76 76 ASP C C 13 177.1 0.2 . 1 . . . . 74 D C . 16964 1 306 . 1 1 76 76 ASP CA C 13 54.0 0.2 . 1 . . . . 74 D CA . 16964 1 307 . 1 1 76 76 ASP CB C 13 42.6 0.2 . 1 . . . . 74 D CB . 16964 1 308 . 1 1 76 76 ASP CG C 13 179.1 0.2 . 1 . . . . 74 D CG . 16964 1 309 . 1 1 76 76 ASP N N 15 124.6 0.2 . 1 . . . . 74 D N . 16964 1 310 . 1 1 77 77 LYS C C 13 178.3 0.2 . 1 . . . . 75 K C . 16964 1 311 . 1 1 77 77 LYS CA C 13 60.4 0.2 . 1 . . . . 75 K CA . 16964 1 312 . 1 1 77 77 LYS CB C 13 32.4 0.2 . 1 . . . . 75 K CB . 16964 1 313 . 1 1 77 77 LYS CD C 13 29.5 0.2 . 1 . . . . 75 K CD . 16964 1 314 . 1 1 77 77 LYS CE C 13 42.5 0.2 . 1 . . . . 75 K CE . 16964 1 315 . 1 1 77 77 LYS CG C 13 25.1 0.2 . 1 . . . . 75 K CG . 16964 1 316 . 1 1 77 77 LYS N N 15 128.3 0.2 . 1 . . . . 75 K N . 16964 1 317 . 1 1 78 78 SER C C 13 175.8 0.2 . 1 . . . . 76 S C . 16964 1 318 . 1 1 78 78 SER CA C 13 62.4 0.2 . 1 . . . . 76 S CA . 16964 1 319 . 1 1 78 78 SER CB C 13 61.4 0.2 . 1 . . . . 76 S CB . 16964 1 320 . 1 1 78 78 SER N N 15 115.9 0.2 . 1 . . . . 76 S N . 16964 1 321 . 1 1 79 79 VAL C C 13 178.0 0.2 . 1 . . . . 77 V C . 16964 1 322 . 1 1 79 79 VAL CA C 13 66.6 0.2 . 1 . . . . 77 V CA . 16964 1 323 . 1 1 79 79 VAL CB C 13 31.3 0.2 . 1 . . . . 77 V CB . 16964 1 324 . 1 1 79 79 VAL CG1 C 13 22.1 0.2 . 2 . . . . 77 V CG1 . 16964 1 325 . 1 1 79 79 VAL CG2 C 13 22.8 0.2 . 2 . . . . 77 V CG2 . 16964 1 326 . 1 1 79 79 VAL N N 15 123.3 0.2 . 1 . . . . 77 V N . 16964 1 327 . 1 1 80 80 GLN CA C 13 60.2 0.2 . 1 . . . . 78 Q CA . 16964 1 328 . 1 1 80 80 GLN CB C 13 28.8 0.2 . 1 . . . . 78 Q CB . 16964 1 329 . 1 1 80 80 GLN CD C 13 180.1 0.2 . 1 . . . . 78 Q CD . 16964 1 330 . 1 1 80 80 GLN N N 15 119.9 0.2 . 1 . . . . 78 Q N . 16964 1 331 . 1 1 81 81 LEU C C 13 174.6 0.2 . 1 . . . . 79 L C . 16964 1 332 . 1 1 81 81 LEU CA C 13 58.9 0.2 . 1 . . . . 79 L CA . 16964 1 333 . 1 1 81 81 LEU CB C 13 41.4 0.2 . 1 . . . . 79 L CB . 16964 1 334 . 1 1 81 81 LEU CD1 C 13 22.4 0.2 . 2 . . . . 79 L CD1 . 16964 1 335 . 1 1 81 81 LEU CD2 C 13 24.3 0.2 . 2 . . . . 79 L CD2 . 16964 1 336 . 1 1 81 81 LEU CG C 13 26.7 0.2 . 1 . . . . 79 L CG . 16964 1 337 . 1 1 81 81 LEU N N 15 122.5 0.2 . 1 . . . . 79 L N . 16964 1 338 . 1 1 82 82 ALA C C 13 180.1 0.2 . 1 . . . . 80 A C . 16964 1 339 . 1 1 82 82 ALA CA C 13 55.2 0.2 . 1 . . . . 80 A CA . 16964 1 340 . 1 1 82 82 ALA CB C 13 18.4 0.2 . 1 . . . . 80 A CB . 16964 1 341 . 1 1 82 82 ALA N N 15 120.4 0.2 . 1 . . . . 80 A N . 16964 1 342 . 1 1 83 83 LYS C C 13 176.3 0.2 . 1 . . . . 81 K C . 16964 1 343 . 1 1 83 83 LYS CA C 13 60.0 0.2 . 1 . . . . 81 K CA . 16964 1 344 . 1 1 83 83 LYS CB C 13 33.0 0.2 . 1 . . . . 81 K CB . 16964 1 345 . 1 1 83 83 LYS CD C 13 29.8 0.2 . 1 . . . . 81 K CD . 16964 1 346 . 1 1 83 83 LYS CE C 13 42.0 0.2 . 1 . . . . 81 K CE . 16964 1 347 . 1 1 83 83 LYS CG C 13 25.2 0.2 . 1 . . . . 81 K CG . 16964 1 348 . 1 1 83 83 LYS N N 15 117.2 0.2 . 1 . . . . 81 K N . 16964 1 349 . 1 1 84 84 SER C C 13 176.6 0.2 . 1 . . . . 82 S C . 16964 1 350 . 1 1 84 84 SER CA C 13 60.5 0.2 . 1 . . . . 82 S CA . 16964 1 351 . 1 1 84 84 SER CB C 13 63.1 0.2 . 1 . . . . 82 S CB . 16964 1 352 . 1 1 84 84 SER N N 15 109.9 0.2 . 1 . . . . 82 S N . 16964 1 353 . 1 1 85 85 ILE C C 13 177.5 0.2 . 1 . . . . 83 I C . 16964 1 354 . 1 1 85 85 ILE CA C 13 65.6 0.2 . 1 . . . . 83 I CA . 16964 1 355 . 1 1 85 85 ILE CB C 13 37.2 0.2 . 1 . . . . 83 I CB . 16964 1 356 . 1 1 85 85 ILE CD1 C 13 13.6 0.2 . 1 . . . . 83 I CD1 . 16964 1 357 . 1 1 85 85 ILE CG1 C 13 29.5 0.2 . 1 . . . . 83 I CG1 . 16964 1 358 . 1 1 85 85 ILE CG2 C 13 17.2 0.2 . 1 . . . . 83 I CG2 . 16964 1 359 . 1 1 85 85 ILE N N 15 118.8 0.2 . 1 . . . . 83 I N . 16964 1 360 . 1 1 86 86 VAL C C 13 178.5 0.2 . 1 . . . . 84 V C . 16964 1 361 . 1 1 86 86 VAL CA C 13 66.4 0.2 . 1 . . . . 84 V CA . 16964 1 362 . 1 1 86 86 VAL CB C 13 30.8 0.2 . 1 . . . . 84 V CB . 16964 1 363 . 1 1 86 86 VAL N N 15 116.1 0.2 . 1 . . . . 84 V N . 16964 1 364 . 1 1 87 87 GLU C C 13 179.2 0.2 . 1 . . . . 85 E C . 16964 1 365 . 1 1 87 87 GLU CA C 13 58.2 0.2 . 1 . . . . 85 E CA . 16964 1 366 . 1 1 87 87 GLU CB C 13 28.0 0.2 . 1 . . . . 85 E CB . 16964 1 367 . 1 1 87 87 GLU CD C 13 183.2 0.2 . 1 . . . . 85 E CD . 16964 1 368 . 1 1 87 87 GLU CG C 13 31.2 0.2 . 1 . . . . 85 E CG . 16964 1 369 . 1 1 87 87 GLU N N 15 121.9 0.2 . 1 . . . . 85 E N . 16964 1 370 . 1 1 88 88 GLU C C 13 178.8 0.2 . 1 . . . . 86 E C . 16964 1 371 . 1 1 88 88 GLU CA C 13 60.7 0.2 . 1 . . . . 86 E CA . 16964 1 372 . 1 1 88 88 GLU CB C 13 29.5 0.2 . 1 . . . . 86 E CB . 16964 1 373 . 1 1 88 88 GLU N N 15 116.7 0.2 . 1 . . . . 86 E N . 16964 1 374 . 1 1 89 89 ILE CA C 13 66.2 0.2 . 1 . . . . 87 I CA . 16964 1 375 . 1 1 89 89 ILE CB C 13 38.2 0.2 . 1 . . . . 87 I CB . 16964 1 376 . 1 1 89 89 ILE CD1 C 13 13.4 0.2 . 1 . . . . 87 I CD1 . 16964 1 377 . 1 1 89 89 ILE CG1 C 13 31.3 0.2 . 1 . . . . 87 I CG1 . 16964 1 378 . 1 1 89 89 ILE CG2 C 13 17.5 0.2 . 1 . . . . 87 I CG2 . 16964 1 379 . 1 1 89 89 ILE N N 15 120.8 0.2 . 1 . . . . 87 I N . 16964 1 380 . 1 1 90 90 LEU CA C 13 59.0 0.2 . 1 . . . . 88 L CA . 16964 1 381 . 1 1 90 90 LEU CB C 13 40.9 0.2 . 1 . . . . 88 L CB . 16964 1 382 . 1 1 90 90 LEU CD1 C 13 23.5 0.2 . 2 . . . . 88 L CD1 . 16964 1 383 . 1 1 90 90 LEU CG C 13 26.7 0.2 . 1 . . . . 88 L CG . 16964 1 384 . 1 1 90 90 LEU N N 15 120.5 0.2 . 1 . . . . 88 L N . 16964 1 385 . 1 1 91 91 LEU C C 13 178.7 0.2 . 1 . . . . 89 L C . 16964 1 386 . 1 1 91 91 LEU CA C 13 57.8 0.2 . 1 . . . . 89 L CA . 16964 1 387 . 1 1 91 91 LEU CB C 13 41.7 0.2 . 1 . . . . 89 L CB . 16964 1 388 . 1 1 91 91 LEU CD1 C 13 22.4 0.2 . 2 . . . . 89 L CD1 . 16964 1 389 . 1 1 91 91 LEU CG C 13 26.8 0.2 . 1 . . . . 89 L CG . 16964 1 390 . 1 1 91 91 LEU N N 15 119.3 0.2 . 1 . . . . 89 L N . 16964 1 391 . 1 1 92 92 LEU C C 13 180.2 0.2 . 1 . . . . 90 L C . 16964 1 392 . 1 1 92 92 LEU CA C 13 58.0 0.2 . 1 . . . . 90 L CA . 16964 1 393 . 1 1 92 92 LEU CB C 13 41.9 0.2 . 1 . . . . 90 L CB . 16964 1 394 . 1 1 92 92 LEU CD1 C 13 26.5 0.2 . 2 . . . . 90 L CD1 . 16964 1 395 . 1 1 92 92 LEU CD2 C 13 24.4 0.2 . 2 . . . . 90 L CD2 . 16964 1 396 . 1 1 92 92 LEU CG C 13 28.1 0.2 . 1 . . . . 90 L CG . 16964 1 397 . 1 1 92 92 LEU N N 15 124.4 0.2 . 1 . . . . 90 L N . 16964 1 398 . 1 1 93 93 PHE C C 13 177.8 0.2 . 1 . . . . 91 F C . 16964 1 399 . 1 1 93 93 PHE CA C 13 62.2 0.2 . 1 . . . . 91 F CA . 16964 1 400 . 1 1 93 93 PHE CB C 13 38.7 0.2 . 1 . . . . 91 F CB . 16964 1 401 . 1 1 93 93 PHE CD1 C 13 130.3 0.2 . 3 . . . . 91 F CD1 . 16964 1 402 . 1 1 93 93 PHE CG C 13 140.0 0.2 . 1 . . . . 91 F CG . 16964 1 403 . 1 1 93 93 PHE N N 15 118.4 0.2 . 1 . . . . 91 F N . 16964 1 404 . 1 1 94 94 GLU C C 13 178.9 0.2 . 1 . . . . 92 E C . 16964 1 405 . 1 1 94 94 GLU CA C 13 59.8 0.2 . 1 . . . . 92 E CA . 16964 1 406 . 1 1 94 94 GLU CB C 13 28.3 0.2 . 1 . . . . 92 E CB . 16964 1 407 . 1 1 94 94 GLU CG C 13 34.5 0.2 . 1 . . . . 92 E CG . 16964 1 408 . 1 1 94 94 GLU N N 15 120.5 0.2 . 1 . . . . 92 E N . 16964 1 409 . 1 1 95 95 SER C C 13 175.7 0.2 . 1 . . . . 93 S C . 16964 1 410 . 1 1 95 95 SER CA C 13 62.6 0.2 . 1 . . . . 93 S CA . 16964 1 411 . 1 1 95 95 SER CB C 13 62.7 0.2 . 1 . . . . 93 S CB . 16964 1 412 . 1 1 95 95 SER N N 15 115.1 0.2 . 1 . . . . 93 S N . 16964 1 413 . 1 1 96 96 ALA CA C 13 54.8 0.2 . 1 . . . . 94 A CA . 16964 1 414 . 1 1 96 96 ALA CB C 13 18.9 0.2 . 1 . . . . 94 A CB . 16964 1 415 . 1 1 96 96 ALA N N 15 123.8 0.2 . 1 . . . . 94 A N . 16964 1 416 . 1 1 97 97 GLN CA C 13 58.8 0.2 . 1 . . . . 95 Q CA . 16964 1 417 . 1 1 97 97 GLN CB C 13 27.7 0.2 . 1 . . . . 95 Q CB . 16964 1 418 . 1 1 97 97 GLN N N 15 119.7 0.2 . 1 . . . . 95 Q N . 16964 1 419 . 1 1 98 98 LYS C C 13 178.9 0.2 . 1 . . . . 96 K C . 16964 1 420 . 1 1 98 98 LYS CA C 13 58.7 0.2 . 1 . . . . 96 K CA . 16964 1 421 . 1 1 98 98 LYS CB C 13 29.9 0.2 . 1 . . . . 96 K CB . 16964 1 422 . 1 1 98 98 LYS CD C 13 27.8 0.2 . 1 . . . . 96 K CD . 16964 1 423 . 1 1 98 98 LYS CE C 13 42.9 0.2 . 1 . . . . 96 K CE . 16964 1 424 . 1 1 98 98 LYS CG C 13 24.9 0.2 . 1 . . . . 96 K CG . 16964 1 425 . 1 1 98 98 LYS N N 15 120.1 0.2 . 1 . . . . 96 K N . 16964 1 426 . 1 1 99 99 THR C C 13 177.5 0.2 . 1 . . . . 97 T C . 16964 1 427 . 1 1 99 99 THR CA C 13 67.5 0.2 . 1 . . . . 97 T CA . 16964 1 428 . 1 1 99 99 THR CB C 13 69.1 0.2 . 1 . . . . 97 T CB . 16964 1 429 . 1 1 99 99 THR CG2 C 13 22.1 0.2 . 1 . . . . 97 T CG2 . 16964 1 430 . 1 1 99 99 THR N N 15 117.8 0.2 . 1 . . . . 97 T N . 16964 1 431 . 1 1 100 100 SER CA C 13 62.6 0.2 . 1 . . . . 98 S CA . 16964 1 432 . 1 1 100 100 SER CB C 13 63.6 0.2 . 1 . . . . 98 S CB . 16964 1 433 . 1 1 100 100 SER N N 15 119.0 0.2 . 1 . . . . 98 S N . 16964 1 434 . 1 1 101 101 LYS CA C 13 58.2 0.2 . 1 . . . . 99 K CA . 16964 1 435 . 1 1 101 101 LYS CB C 13 31.3 0.2 . 1 . . . . 99 K CB . 16964 1 436 . 1 1 101 101 LYS CD C 13 28.0 0.2 . 1 . . . . 99 K CD . 16964 1 437 . 1 1 101 101 LYS CE C 13 42.0 0.2 . 1 . . . . 99 K CE . 16964 1 438 . 1 1 101 101 LYS CG C 13 24.0 0.2 . 1 . . . . 99 K CG . 16964 1 439 . 1 1 101 101 LYS N N 15 121.6 0.2 . 1 . . . . 99 K N . 16964 1 440 . 1 1 102 102 ARG C C 13 178.6 0.2 . 1 . . . . 100 R C . 16964 1 441 . 1 1 102 102 ARG CA C 13 59.8 0.2 . 1 . . . . 100 R CA . 16964 1 442 . 1 1 102 102 ARG CB C 13 29.7 0.2 . 1 . . . . 100 R CB . 16964 1 443 . 1 1 102 102 ARG CD C 13 42.6 0.2 . 1 . . . . 100 R CD . 16964 1 444 . 1 1 102 102 ARG CG C 13 28.3 0.2 . 1 . . . . 100 R CG . 16964 1 445 . 1 1 102 102 ARG N N 15 117.2 0.2 . 1 . . . . 100 R N . 16964 1 446 . 1 1 103 103 TYR C C 13 178.1 0.2 . 1 . . . . 101 Y C . 16964 1 447 . 1 1 103 103 TYR CA C 13 61.4 0.2 . 1 . . . . 101 Y CA . 16964 1 448 . 1 1 103 103 TYR CB C 13 37.8 0.2 . 1 . . . . 101 Y CB . 16964 1 449 . 1 1 103 103 TYR CD1 C 13 133.0 0.2 . 3 . . . . 101 Y CD1 . 16964 1 450 . 1 1 103 103 TYR CE1 C 13 117.6 0.2 . 3 . . . . 101 Y CE1 . 16964 1 451 . 1 1 103 103 TYR CG C 13 129.4 0.2 . 1 . . . . 101 Y CG . 16964 1 452 . 1 1 103 103 TYR N N 15 121.1 0.2 . 1 . . . . 101 Y N . 16964 1 453 . 1 1 104 104 GLU CA C 13 59.0 0.2 . 1 . . . . 102 E CA . 16964 1 454 . 1 1 104 104 GLU CB C 13 29.8 0.2 . 1 . . . . 102 E CB . 16964 1 455 . 1 1 104 104 GLU CD C 13 183.3 0.2 . 1 . . . . 102 E CD . 16964 1 456 . 1 1 104 104 GLU CG C 13 37.6 0.2 . 1 . . . . 102 E CG . 16964 1 457 . 1 1 104 104 GLU N N 15 117.8 0.2 . 1 . . . . 102 E N . 16964 1 458 . 1 1 105 105 LEU C C 13 177.9 0.2 . 1 . . . . 103 L C . 16964 1 459 . 1 1 105 105 LEU CA C 13 57.2 0.2 . 1 . . . . 103 L CA . 16964 1 460 . 1 1 105 105 LEU CB C 13 43.2 0.2 . 1 . . . . 103 L CB . 16964 1 461 . 1 1 105 105 LEU CD1 C 13 25.7 0.2 . 2 . . . . 103 L CD1 . 16964 1 462 . 1 1 105 105 LEU CD2 C 13 26.8 0.2 . 2 . . . . 103 L CD2 . 16964 1 463 . 1 1 105 105 LEU N N 15 116.6 0.2 . 1 . . . . 103 L N . 16964 1 464 . 1 1 106 106 VAL C C 13 175.7 0.2 . 1 . . . . 104 V C . 16964 1 465 . 1 1 106 106 VAL CA C 13 60.1 0.2 . 1 . . . . 104 V CA . 16964 1 466 . 1 1 106 106 VAL CB C 13 32.8 0.2 . 1 . . . . 104 V CB . 16964 1 467 . 1 1 106 106 VAL CG1 C 13 21.2 0.2 . 2 . . . . 104 V CG1 . 16964 1 468 . 1 1 106 106 VAL CG2 C 13 18.1 0.2 . 2 . . . . 104 V CG2 . 16964 1 469 . 1 1 106 106 VAL N N 15 107.7 0.2 . 1 . . . . 104 V N . 16964 1 470 . 1 1 107 107 ALA C C 13 177.7 0.2 . 1 . . . . 105 A C . 16964 1 471 . 1 1 107 107 ALA CA C 13 51.9 0.2 . 1 . . . . 105 A CA . 16964 1 472 . 1 1 107 107 ALA CB C 13 20.5 0.2 . 1 . . . . 105 A CB . 16964 1 473 . 1 1 107 107 ALA N N 15 125.3 0.2 . 1 . . . . 105 A N . 16964 1 474 . 1 1 108 108 ASP C C 13 177.6 0.2 . 1 . . . . 106 D C . 16964 1 475 . 1 1 108 108 ASP CA C 13 54.1 0.2 . 1 . . . . 106 D CA . 16964 1 476 . 1 1 108 108 ASP CB C 13 42.1 0.2 . 1 . . . . 106 D CB . 16964 1 477 . 1 1 108 108 ASP CG C 13 180.0 0.2 . 1 . . . . 106 D CG . 16964 1 478 . 1 1 108 108 ASP N N 15 121.0 0.2 . 1 . . . . 106 D N . 16964 1 479 . 1 1 109 109 GLN CA C 13 59.0 0.2 . 1 . . . . 107 Q CA . 16964 1 480 . 1 1 109 109 GLN CB C 13 28.5 0.2 . 1 . . . . 107 Q CB . 16964 1 481 . 1 1 109 109 GLN N N 15 123.7 0.2 . 1 . . . . 107 Q N . 16964 1 482 . 1 1 110 110 GLN CA C 13 57.6 0.2 . 1 . . . . 108 Q CA . 16964 1 483 . 1 1 110 110 GLN CB C 13 27.8 0.2 . 1 . . . . 108 Q CB . 16964 1 484 . 1 1 110 110 GLN N N 15 117.6 0.2 . 1 . . . . 108 Q N . 16964 1 485 . 1 1 111 111 ASP CA C 13 55.5 0.2 . 1 . . . . 109 D CA . 16964 1 486 . 1 1 111 111 ASP CB C 13 41.6 0.2 . 1 . . . . 109 D CB . 16964 1 487 . 1 1 111 111 ASP CG C 13 180.0 0.2 . 1 . . . . 109 D CG . 16964 1 488 . 1 1 111 111 ASP N N 15 119.8 0.2 . 1 . . . . 109 D N . 16964 1 489 . 1 1 112 112 LEU CA C 13 54.4 0.2 . 1 . . . . 110 L CA . 16964 1 490 . 1 1 112 112 LEU CB C 13 40.5 0.2 . 1 . . . . 110 L CB . 16964 1 491 . 1 1 112 112 LEU CD1 C 13 25.5 0.2 . 2 . . . . 110 L CD1 . 16964 1 492 . 1 1 112 112 LEU CD2 C 13 22.9 0.2 . 2 . . . . 110 L CD2 . 16964 1 493 . 1 1 112 112 LEU CG C 13 27.2 0.2 . 1 . . . . 110 L CG . 16964 1 494 . 1 1 112 112 LEU N N 15 115.7 0.2 . 1 . . . . 110 L N . 16964 1 495 . 1 1 113 113 VAL C C 13 176.2 0.2 . 1 . . . . 111 V C . 16964 1 496 . 1 1 113 113 VAL CA C 13 62.2 0.2 . 1 . . . . 111 V CA . 16964 1 497 . 1 1 113 113 VAL CB C 13 33.0 0.2 . 1 . . . . 111 V CB . 16964 1 498 . 1 1 113 113 VAL CG1 C 13 21.0 0.2 . 2 . . . . 111 V CG1 . 16964 1 499 . 1 1 113 113 VAL N N 15 119.1 0.2 . 1 . . . . 111 V N . 16964 1 500 . 1 1 114 114 VAL CA C 13 59.2 0.2 . 1 . . . . 112 V CA . 16964 1 501 . 1 1 114 114 VAL CB C 13 33.7 0.2 . 1 . . . . 112 V CB . 16964 1 502 . 1 1 114 114 VAL CG1 C 13 17.8 0.2 . 2 . . . . 112 V CG1 . 16964 1 503 . 1 1 114 114 VAL CG2 C 13 21.3 0.2 . 2 . . . . 112 V CG2 . 16964 1 504 . 1 1 114 114 VAL N N 15 118.9 0.2 . 1 . . . . 112 V N . 16964 1 505 . 1 1 115 115 PHE C C 13 175.1 0.2 . 1 . . . . 113 F C . 16964 1 506 . 1 1 115 115 PHE CA C 13 58.7 0.2 . 1 . . . . 113 F CA . 16964 1 507 . 1 1 115 115 PHE CB C 13 39.3 0.2 . 1 . . . . 113 F CB . 16964 1 508 . 1 1 115 115 PHE CD1 C 13 133.0 0.2 . 3 . . . . 113 F CD1 . 16964 1 509 . 1 1 115 115 PHE CE1 C 13 129.0 0.2 . 3 . . . . 113 F CE1 . 16964 1 510 . 1 1 115 115 PHE CG C 13 141.3 0.2 . 1 . . . . 113 F CG . 16964 1 511 . 1 1 115 115 PHE CZ C 13 128.2 0.2 . 1 . . . . 113 F CZ . 16964 1 512 . 1 1 115 115 PHE N N 15 120.3 0.2 . 1 . . . . 113 F N . 16964 1 513 . 1 1 116 116 GLU C C 13 176.7 0.2 . 1 . . . . 114 E C . 16964 1 514 . 1 1 116 116 GLU CA C 13 54.2 0.2 . 1 . . . . 114 E CA . 16964 1 515 . 1 1 116 116 GLU CB C 13 34.2 0.2 . 1 . . . . 114 E CB . 16964 1 516 . 1 1 116 116 GLU CD C 13 183.9 0.2 . 1 . . . . 114 E CD . 16964 1 517 . 1 1 116 116 GLU CG C 13 36.3 0.2 . 1 . . . . 114 E CG . 16964 1 518 . 1 1 116 116 GLU N N 15 119.6 0.2 . 1 . . . . 114 E N . 16964 1 519 . 1 1 117 117 ASP CA C 13 57.5 0.2 . 1 . . . . 115 D CA . 16964 1 520 . 1 1 117 117 ASP CB C 13 39.3 0.2 . 1 . . . . 115 D CB . 16964 1 521 . 1 1 117 117 ASP N N 15 119.7 0.2 . 1 . . . . 115 D N . 16964 1 522 . 1 1 118 118 LYS C C 13 174.2 0.2 . 1 . . . . 116 K C . 16964 1 523 . 1 1 118 118 LYS CA C 13 57.9 0.2 . 1 . . . . 116 K CA . 16964 1 524 . 1 1 118 118 LYS CB C 13 30.9 0.2 . 1 . . . . 116 K CB . 16964 1 525 . 1 1 118 118 LYS CD C 13 29.0 0.2 . 1 . . . . 116 K CD . 16964 1 526 . 1 1 118 118 LYS CE C 13 42.1 0.2 . 1 . . . . 116 K CE . 16964 1 527 . 1 1 118 118 LYS CG C 13 27.3 0.2 . 1 . . . . 116 K CG . 16964 1 528 . 1 1 118 118 LYS N N 15 119.9 0.2 . 1 . . . . 116 K N . 16964 1 529 . 1 1 119 119 ASP CA C 13 55.6 0.2 . 1 . . . . 117 D CA . 16964 1 530 . 1 1 119 119 ASP CB C 13 41.4 0.2 . 1 . . . . 117 D CB . 16964 1 531 . 1 1 119 119 ASP N N 15 117.8 0.2 . 1 . . . . 117 D N . 16964 1 532 . 1 1 120 120 MET CA C 13 56.2 0.2 . 1 . . . . 118 M CA . 16964 1 533 . 1 1 120 120 MET CB C 13 34.9 0.2 . 1 . . . . 118 M CB . 16964 1 534 . 1 1 120 120 MET N N 15 118.3 0.2 . 1 . . . . 118 M N . 16964 1 535 . 1 1 121 121 LYS C C 13 175.4 0.2 . 1 . . . . 119 K C . 16964 1 536 . 1 1 121 121 LYS CA C 13 55.7 0.2 . 1 . . . . 119 K CA . 16964 1 537 . 1 1 121 121 LYS CB C 13 30.0 0.2 . 1 . . . . 119 K CB . 16964 1 538 . 1 1 121 121 LYS CD C 13 28.6 0.2 . 1 . . . . 119 K CD . 16964 1 539 . 1 1 121 121 LYS CG C 13 25.2 0.2 . 1 . . . . 119 K CG . 16964 1 540 . 1 1 121 121 LYS N N 15 123.5 0.2 . 1 . . . . 119 K N . 16964 1 541 . 1 1 122 122 PRO C C 13 179.4 0.2 . 1 . . . . 120 P C . 16964 1 542 . 1 1 122 122 PRO CA C 13 66.8 0.2 . 1 . . . . 120 P CA . 16964 1 543 . 1 1 122 122 PRO CB C 13 32.2 0.2 . 1 . . . . 120 P CB . 16964 1 544 . 1 1 122 122 PRO CD C 13 49.7 0.2 . 1 . . . . 120 P CD . 16964 1 545 . 1 1 122 122 PRO CG C 13 27.7 0.2 . 1 . . . . 120 P CG . 16964 1 546 . 1 1 122 122 PRO N N 15 134.1 0.2 . 1 . . . . 120 P N . 16964 1 547 . 1 1 123 123 ILE C C 13 178.4 0.2 . 1 . . . . 121 I C . 16964 1 548 . 1 1 123 123 ILE CA C 13 64.5 0.2 . 1 . . . . 121 I CA . 16964 1 549 . 1 1 123 123 ILE CB C 13 37.0 0.2 . 1 . . . . 121 I CB . 16964 1 550 . 1 1 123 123 ILE CD1 C 13 13.3 0.2 . 1 . . . . 121 I CD1 . 16964 1 551 . 1 1 123 123 ILE CG1 C 13 29.0 0.2 . 1 . . . . 121 I CG1 . 16964 1 552 . 1 1 123 123 ILE CG2 C 13 17.3 0.2 . 1 . . . . 121 I CG2 . 16964 1 553 . 1 1 123 123 ILE N N 15 117.7 0.2 . 1 . . . . 121 I N . 16964 1 554 . 1 1 124 124 GLY C C 13 175.1 0.2 . 1 . . . . 122 G C . 16964 1 555 . 1 1 124 124 GLY CA C 13 46.9 0.2 . 1 . . . . 122 G CA . 16964 1 556 . 1 1 124 124 GLY N N 15 111.4 0.2 . 1 . . . . 122 G N . 16964 1 557 . 1 1 125 125 ARG C C 13 175.2 0.2 . 1 . . . . 123 R C . 16964 1 558 . 1 1 125 125 ARG CA C 13 59.6 0.2 . 1 . . . . 123 R CA . 16964 1 559 . 1 1 125 125 ARG CB C 13 29.7 0.2 . 1 . . . . 123 R CB . 16964 1 560 . 1 1 125 125 ARG CZ C 13 159.5 0.2 . 1 . . . . 123 R CZ . 16964 1 561 . 1 1 125 125 ARG N N 15 123.6 0.2 . 1 . . . . 123 R N . 16964 1 562 . 1 1 126 126 ALA CA C 13 54.8 0.2 . 1 . . . . 124 A CA . 16964 1 563 . 1 1 126 126 ALA CB C 13 18.0 0.2 . 1 . . . . 124 A CB . 16964 1 564 . 1 1 126 126 ALA N N 15 119.9 0.2 . 1 . . . . 124 A N . 16964 1 565 . 1 1 127 127 LEU CA C 13 57.7 0.2 . 1 . . . . 125 L CA . 16964 1 566 . 1 1 127 127 LEU CB C 13 43.0 0.2 . 1 . . . . 125 L CB . 16964 1 567 . 1 1 127 127 LEU CD1 C 13 24.6 0.2 . 2 . . . . 125 L CD1 . 16964 1 568 . 1 1 127 127 LEU CD2 C 13 26.0 0.2 . 2 . . . . 125 L CD2 . 16964 1 569 . 1 1 127 127 LEU CG C 13 27.3 0.2 . 1 . . . . 125 L CG . 16964 1 570 . 1 1 127 127 LEU N N 15 120.2 0.2 . 1 . . . . 125 L N . 16964 1 571 . 1 1 128 128 HIS CA C 13 58.5 0.2 . 1 . . . . 126 H CA . 16964 1 572 . 1 1 128 128 HIS CB C 13 29.3 0.2 . 1 . . . . 126 H CB . 16964 1 573 . 1 1 128 128 HIS CD2 C 13 120.5 0.2 . 1 . . . . 126 H CD2 . 16964 1 574 . 1 1 128 128 HIS CE1 C 13 137.4 0.2 . 1 . . . . 126 H CE1 . 16964 1 575 . 1 1 128 128 HIS CG C 13 130.9 0.2 . 1 . . . . 126 H CG . 16964 1 576 . 1 1 128 128 HIS N N 15 120.0 0.2 . 1 . . . . 126 H N . 16964 1 577 . 1 1 129 129 ARG CA C 13 59.3 0.2 . 1 . . . . 127 R CA . 16964 1 578 . 1 1 129 129 ARG CB C 13 29.2 0.2 . 1 . . . . 127 R CB . 16964 1 579 . 1 1 129 129 ARG N N 15 117.9 0.2 . 1 . . . . 127 R N . 16964 1 580 . 1 1 130 130 ARG CA C 13 59.3 0.2 . 1 . . . . 128 R CA . 16964 1 581 . 1 1 130 130 ARG CB C 13 29.8 0.2 . 1 . . . . 128 R CB . 16964 1 582 . 1 1 130 130 ARG CD C 13 42.9 0.2 . 1 . . . . 128 R CD . 16964 1 583 . 1 1 130 130 ARG CG C 13 27.3 0.2 . 1 . . . . 128 R CG . 16964 1 584 . 1 1 130 130 ARG CZ C 13 159.4 0.2 . 1 . . . . 128 R CZ . 16964 1 585 . 1 1 130 130 ARG N N 15 120.7 0.2 . 1 . . . . 128 R N . 16964 1 586 . 1 1 131 131 LEU CA C 13 57.8 0.2 . 1 . . . . 129 L CA . 16964 1 587 . 1 1 131 131 LEU CB C 13 41.2 0.2 . 1 . . . . 129 L CB . 16964 1 588 . 1 1 131 131 LEU CD1 C 13 22.3 0.2 . 2 . . . . 129 L CD1 . 16964 1 589 . 1 1 131 131 LEU CD2 C 13 23.7 0.2 . 2 . . . . 129 L CD2 . 16964 1 590 . 1 1 131 131 LEU CG C 13 29.1 0.2 . 1 . . . . 129 L CG . 16964 1 591 . 1 1 131 131 LEU N N 15 119.5 0.2 . 1 . . . . 129 L N . 16964 1 592 . 1 1 132 132 ASN C C 13 178.5 0.2 . 1 . . . . 130 N C . 16964 1 593 . 1 1 132 132 ASN CA C 13 56.1 0.2 . 1 . . . . 130 N CA . 16964 1 594 . 1 1 132 132 ASN CB C 13 37.5 0.2 . 1 . . . . 130 N CB . 16964 1 595 . 1 1 132 132 ASN N N 15 117.7 0.2 . 1 . . . . 130 N N . 16964 1 596 . 1 1 133 133 ASP C C 13 178.2 0.2 . 1 . . . . 131 D C . 16964 1 597 . 1 1 133 133 ASP CA C 13 57.3 0.2 . 1 . . . . 131 D CA . 16964 1 598 . 1 1 133 133 ASP CB C 13 40.6 0.2 . 1 . . . . 131 D CB . 16964 1 599 . 1 1 133 133 ASP N N 15 123.1 0.2 . 1 . . . . 131 D N . 16964 1 600 . 1 1 134 134 LEU CA C 13 58.0 0.2 . 1 . . . . 132 L CA . 16964 1 601 . 1 1 134 134 LEU CB C 13 41.2 0.2 . 1 . . . . 132 L CB . 16964 1 602 . 1 1 134 134 LEU N N 15 120.5 0.2 . 1 . . . . 132 L N . 16964 1 603 . 1 1 135 135 VAL C C 13 178.2 0.2 . 1 . . . . 133 V C . 16964 1 604 . 1 1 135 135 VAL CA C 13 66.4 0.2 . 1 . . . . 133 V CA . 16964 1 605 . 1 1 135 135 VAL CB C 13 31.4 0.2 . 1 . . . . 133 V CB . 16964 1 606 . 1 1 135 135 VAL CG1 C 13 21.6 0.2 . 2 . . . . 133 V CG1 . 16964 1 607 . 1 1 135 135 VAL N N 15 119.3 0.2 . 1 . . . . 133 V N . 16964 1 608 . 1 1 136 136 SER C C 13 177.3 0.2 . 1 . . . . 134 S C . 16964 1 609 . 1 1 136 136 SER CA C 13 61.7 0.2 . 1 . . . . 134 S CA . 16964 1 610 . 1 1 136 136 SER CB C 13 62.5 0.2 . 1 . . . . 134 S CB . 16964 1 611 . 1 1 136 136 SER N N 15 116.9 0.2 . 1 . . . . 134 S N . 16964 1 612 . 1 1 137 137 ARG CA C 13 58.5 0.2 . 1 . . . . 135 R CA . 16964 1 613 . 1 1 137 137 ARG CB C 13 27.9 0.2 . 1 . . . . 135 R CB . 16964 1 614 . 1 1 137 137 ARG CD C 13 43.4 0.2 . 1 . . . . 135 R CD . 16964 1 615 . 1 1 137 137 ARG CG C 13 30.0 0.2 . 1 . . . . 135 R CG . 16964 1 616 . 1 1 137 137 ARG CZ C 13 159.3 0.2 . 1 . . . . 135 R CZ . 16964 1 617 . 1 1 137 137 ARG N N 15 118.5 0.2 . 1 . . . . 135 R N . 16964 1 618 . 1 1 138 138 ARG CA C 13 57.3 0.2 . 1 . . . . 136 R CA . 16964 1 619 . 1 1 138 138 ARG CB C 13 31.8 0.2 . 1 . . . . 136 R CB . 16964 1 620 . 1 1 138 138 ARG CD C 13 40.9 0.2 . 1 . . . . 136 R CD . 16964 1 621 . 1 1 138 138 ARG CG C 13 29.7 0.2 . 1 . . . . 136 R CG . 16964 1 622 . 1 1 138 138 ARG N N 15 117.5 0.2 . 1 . . . . 136 R N . 16964 1 623 . 1 1 139 139 GLN CA C 13 56.0 0.2 . 1 . . . . 137 Q CA . 16964 1 624 . 1 1 139 139 GLN CB C 13 28.7 0.2 . 1 . . . . 137 Q CB . 16964 1 625 . 1 1 139 139 GLN N N 15 118.1 0.2 . 1 . . . . 137 Q N . 16964 1 626 . 1 1 140 140 LYS N N 15 119.3 0.2 . 1 . . . . 138 K N . 16964 1 627 . 1 1 142 142 THR CA C 13 61.7 0.2 . 1 . . . . 140 T CA . 16964 1 628 . 1 1 142 142 THR CB C 13 69.5 0.2 . 1 . . . . 140 T CB . 16964 1 629 . 1 1 142 142 THR CG2 C 13 21.8 0.2 . 1 . . . . 140 T CG2 . 16964 1 630 . 1 1 145 145 ALA C C 13 179.9 0.2 . 1 . . . . 143 A C . 16964 1 631 . 1 1 145 145 ALA CA C 13 51.5 0.2 . 1 . . . . 143 A CA . 16964 1 632 . 1 1 145 145 ALA N N 15 122.8 0.2 . 1 . . . . 143 A N . 16964 1 633 . 1 1 146 146 LYS CA C 13 57.3 0.2 . 1 . . . . 144 K CA . 16964 1 634 . 1 1 146 146 LYS CB C 13 32.1 0.2 . 1 . . . . 144 K CB . 16964 1 635 . 1 1 146 146 LYS CD C 13 28.3 0.2 . 1 . . . . 144 K CD . 16964 1 636 . 1 1 146 146 LYS CE C 13 39.8 0.2 . 1 . . . . 144 K CE . 16964 1 637 . 1 1 146 146 LYS CG C 13 24.6 0.2 . 1 . . . . 144 K CG . 16964 1 638 . 1 1 146 146 LYS N N 15 125.9 0.2 . 1 . . . . 144 K N . 16964 1 639 . 1 1 147 147 LYS CA C 13 55.6 0.2 . 1 . . . . 145 K CA . 16964 1 640 . 1 1 147 147 LYS CB C 13 32.5 0.2 . 1 . . . . 145 K CB . 16964 1 641 . 1 1 147 147 LYS N N 15 124.1 0.2 . 1 . . . . 145 K N . 16964 1 642 . 1 1 148 148 THR C C 13 173.8 0.2 . 1 . . . . 146 T C . 16964 1 643 . 1 1 148 148 THR CA C 13 60.6 0.2 . 1 . . . . 146 T CA . 16964 1 644 . 1 1 148 148 THR CB C 13 71.1 0.2 . 1 . . . . 146 T CB . 16964 1 645 . 1 1 148 148 THR CG2 C 13 21.7 0.2 . 1 . . . . 146 T CG2 . 16964 1 646 . 1 1 148 148 THR N N 15 112.9 0.2 . 1 . . . . 146 T N . 16964 1 647 . 1 1 149 149 ALA C C 13 176.8 0.2 . 1 . . . . 147 A C . 16964 1 648 . 1 1 149 149 ALA CA C 13 52.4 0.2 . 1 . . . . 147 A CA . 16964 1 649 . 1 1 149 149 ALA CB C 13 19.3 0.2 . 1 . . . . 147 A CB . 16964 1 650 . 1 1 149 149 ALA N N 15 128.2 0.2 . 1 . . . . 147 A N . 16964 1 651 . 1 1 150 150 TRP C C 13 172.2 0.2 . 1 . . . . 148 W C . 16964 1 652 . 1 1 150 150 TRP CA C 13 55.4 0.2 . 1 . . . . 148 W CA . 16964 1 653 . 1 1 150 150 TRP CB C 13 30.3 0.2 . 1 . . . . 148 W CB . 16964 1 654 . 1 1 150 150 TRP CD1 C 13 128.3 0.2 . 1 . . . . 148 W CD1 . 16964 1 655 . 1 1 150 150 TRP CD2 C 13 130.8 0.2 . 1 . . . . 148 W CD2 . 16964 1 656 . 1 1 150 150 TRP CE2 C 13 137.9 0.2 . 1 . . . . 148 W CE2 . 16964 1 657 . 1 1 150 150 TRP CG C 13 109.5 0.2 . 1 . . . . 148 W CG . 16964 1 658 . 1 1 150 150 TRP N N 15 121.9 0.2 . 1 . . . . 148 W N . 16964 1 659 . 1 1 151 151 ALA C C 13 175.9 0.2 . 1 . . . . 149 A C . 16964 1 660 . 1 1 151 151 ALA CA C 13 49.6 0.2 . 1 . . . . 149 A CA . 16964 1 661 . 1 1 151 151 ALA CB C 13 21.5 0.2 . 1 . . . . 149 A CB . 16964 1 662 . 1 1 151 151 ALA N N 15 120.5 0.2 . 1 . . . . 149 A N . 16964 1 663 . 1 1 152 152 LEU C C 13 177.0 0.2 . 1 . . . . 150 L C . 16964 1 664 . 1 1 152 152 LEU CA C 13 53.4 0.2 . 1 . . . . 150 L CA . 16964 1 665 . 1 1 152 152 LEU CB C 13 46.0 0.2 . 1 . . . . 150 L CB . 16964 1 666 . 1 1 152 152 LEU CD1 C 13 26.3 0.2 . 2 . . . . 150 L CD1 . 16964 1 667 . 1 1 152 152 LEU CD2 C 13 25.4 0.2 . 2 . . . . 150 L CD2 . 16964 1 668 . 1 1 152 152 LEU CG C 13 26.2 0.2 . 1 . . . . 150 L CG . 16964 1 669 . 1 1 152 152 LEU N N 15 119.3 0.2 . 1 . . . . 150 L N . 16964 1 670 . 1 1 153 153 TYR C C 13 173.0 0.2 . 1 . . . . 151 Y C . 16964 1 671 . 1 1 153 153 TYR CA C 13 58.3 0.2 . 1 . . . . 151 Y CA . 16964 1 672 . 1 1 153 153 TYR CB C 13 40.2 0.2 . 1 . . . . 151 Y CB . 16964 1 673 . 1 1 153 153 TYR CD1 C 13 133.2 0.2 . 3 . . . . 151 Y CD1 . 16964 1 674 . 1 1 153 153 TYR CE1 C 13 118.4 0.2 . 3 . . . . 151 Y CE1 . 16964 1 675 . 1 1 153 153 TYR CZ C 13 157.3 0.2 . 1 . . . . 151 Y CZ . 16964 1 676 . 1 1 153 153 TYR N N 15 116.8 0.2 . 1 . . . . 151 Y N . 16964 1 677 . 1 1 154 154 ASP C C 13 175.2 0.2 . 1 . . . . 152 D C . 16964 1 678 . 1 1 154 154 ASP CA C 13 52.1 0.2 . 1 . . . . 152 D CA . 16964 1 679 . 1 1 154 154 ASP CB C 13 44.8 0.2 . 1 . . . . 152 D CB . 16964 1 680 . 1 1 154 154 ASP CG C 13 180.6 0.2 . 1 . . . . 152 D CG . 16964 1 681 . 1 1 154 154 ASP N N 15 115.2 0.2 . 1 . . . . 152 D N . 16964 1 682 . 1 1 155 155 GLY C C 13 176.1 0.2 . 1 . . . . 153 G C . 16964 1 683 . 1 1 155 155 GLY CA C 13 47.1 0.2 . 1 . . . . 153 G CA . 16964 1 684 . 1 1 155 155 GLY N N 15 111.5 0.2 . 1 . . . . 153 G N . 16964 1 685 . 1 1 156 156 LYS CA C 13 59.4 0.2 . 1 . . . . 154 K CA . 16964 1 686 . 1 1 156 156 LYS CB C 13 31.3 0.2 . 1 . . . . 154 K CB . 16964 1 687 . 1 1 156 156 LYS CE C 13 39.2 0.2 . 1 . . . . 154 K CE . 16964 1 688 . 1 1 156 156 LYS CG C 13 24.9 0.2 . 1 . . . . 154 K CG . 16964 1 689 . 1 1 156 156 LYS N N 15 123.0 0.2 . 1 . . . . 154 K N . 16964 1 690 . 1 1 157 157 SER C C 13 176.3 0.2 . 1 . . . . 155 S C . 16964 1 691 . 1 1 157 157 SER CA C 13 62.0 0.2 . 1 . . . . 155 S CA . 16964 1 692 . 1 1 157 157 SER CB C 13 62.9 0.2 . 1 . . . . 155 S CB . 16964 1 693 . 1 1 157 157 SER N N 15 117.9 0.2 . 1 . . . . 155 S N . 16964 1 694 . 1 1 158 158 LEU CA C 13 58.1 0.2 . 1 . . . . 156 L CA . 16964 1 695 . 1 1 158 158 LEU CB C 13 41.2 0.2 . 1 . . . . 156 L CB . 16964 1 696 . 1 1 158 158 LEU CD1 C 13 24.9 0.2 . 2 . . . . 156 L CD1 . 16964 1 697 . 1 1 158 158 LEU CD2 C 13 22.8 0.2 . 2 . . . . 156 L CD2 . 16964 1 698 . 1 1 158 158 LEU N N 15 122.0 0.2 . 1 . . . . 156 L N . 16964 1 699 . 1 1 159 159 GLU CA C 13 58.3 0.2 . 1 . . . . 157 E CA . 16964 1 700 . 1 1 159 159 GLU CB C 13 29.4 0.2 . 1 . . . . 157 E CB . 16964 1 701 . 1 1 159 159 GLU N N 15 120.4 0.2 . 1 . . . . 157 E N . 16964 1 702 . 1 1 160 160 LYS C C 13 178.6 0.2 . 1 . . . . 158 K C . 16964 1 703 . 1 1 160 160 LYS CA C 13 59.3 0.2 . 1 . . . . 158 K CA . 16964 1 704 . 1 1 160 160 LYS CB C 13 32.0 0.2 . 1 . . . . 158 K CB . 16964 1 705 . 1 1 160 160 LYS CG C 13 24.2 0.2 . 1 . . . . 158 K CG . 16964 1 706 . 1 1 160 160 LYS N N 15 117.7 0.2 . 1 . . . . 158 K N . 16964 1 707 . 1 1 161 161 ILE C C 13 177.3 0.2 . 1 . . . . 159 I C . 16964 1 708 . 1 1 161 161 ILE CA C 13 65.5 0.2 . 1 . . . . 159 I CA . 16964 1 709 . 1 1 161 161 ILE CB C 13 38.3 0.2 . 1 . . . . 159 I CB . 16964 1 710 . 1 1 161 161 ILE CD1 C 13 13.6 0.2 . 1 . . . . 159 I CD1 . 16964 1 711 . 1 1 161 161 ILE CG1 C 13 29.2 0.2 . 1 . . . . 159 I CG1 . 16964 1 712 . 1 1 161 161 ILE CG2 C 13 16.3 0.2 . 1 . . . . 159 I CG2 . 16964 1 713 . 1 1 161 161 ILE N N 15 117.3 0.2 . 1 . . . . 159 I N . 16964 1 714 . 1 1 162 162 VAL C C 13 177.2 0.2 . 1 . . . . 160 V C . 16964 1 715 . 1 1 162 162 VAL CA C 13 67.1 0.2 . 1 . . . . 160 V CA . 16964 1 716 . 1 1 162 162 VAL CB C 13 31.4 0.2 . 1 . . . . 160 V CB . 16964 1 717 . 1 1 162 162 VAL N N 15 115.3 0.2 . 1 . . . . 160 V N . 16964 1 718 . 1 1 163 163 ASP C C 13 178.4 0.2 . 1 . . . . 161 D C . 16964 1 719 . 1 1 163 163 ASP CA C 13 57.5 0.2 . 1 . . . . 161 D CA . 16964 1 720 . 1 1 163 163 ASP CB C 13 42.1 0.2 . 1 . . . . 161 D CB . 16964 1 721 . 1 1 163 163 ASP N N 15 119.4 0.2 . 1 . . . . 161 D N . 16964 1 722 . 1 1 164 164 GLN C C 13 178.9 0.2 . 1 . . . . 162 Q C . 16964 1 723 . 1 1 164 164 GLN CA C 13 58.7 0.2 . 1 . . . . 162 Q CA . 16964 1 724 . 1 1 164 164 GLN CB C 13 29.7 0.2 . 1 . . . . 162 Q CB . 16964 1 725 . 1 1 164 164 GLN CG C 13 31.9 0.2 . 1 . . . . 162 Q CG . 16964 1 726 . 1 1 164 164 GLN N N 15 116.4 0.2 . 1 . . . . 162 Q N . 16964 1 727 . 1 1 165 165 VAL C C 13 177.1 0.2 . 1 . . . . 163 V C . 16964 1 728 . 1 1 165 165 VAL CA C 13 68.4 0.2 . 1 . . . . 163 V CA . 16964 1 729 . 1 1 165 165 VAL CB C 13 31.1 0.2 . 1 . . . . 163 V CB . 16964 1 730 . 1 1 165 165 VAL CG1 C 13 21.9 0.2 . 2 . . . . 163 V CG1 . 16964 1 731 . 1 1 165 165 VAL CG2 C 13 24.6 0.2 . 2 . . . . 163 V CG2 . 16964 1 732 . 1 1 165 165 VAL N N 15 119.6 0.2 . 1 . . . . 163 V N . 16964 1 733 . 1 1 166 166 ALA C C 13 179.3 0.2 . 1 . . . . 164 A C . 16964 1 734 . 1 1 166 166 ALA CA C 13 55.9 0.2 . 1 . . . . 164 A CA . 16964 1 735 . 1 1 166 166 ALA CB C 13 18.6 0.2 . 1 . . . . 164 A CB . 16964 1 736 . 1 1 166 166 ALA N N 15 122.1 0.2 . 1 . . . . 164 A N . 16964 1 737 . 1 1 167 167 ARG CA C 13 59.1 0.2 . 1 . . . . 165 R CA . 16964 1 738 . 1 1 167 167 ARG CB C 13 30.0 0.2 . 1 . . . . 165 R CB . 16964 1 739 . 1 1 167 167 ARG CG C 13 28.1 0.2 . 1 . . . . 165 R CG . 16964 1 740 . 1 1 167 167 ARG CZ C 13 159.2 0.2 . 1 . . . . 165 R CZ . 16964 1 741 . 1 1 167 167 ARG N N 15 117.4 0.2 . 1 . . . . 165 R N . 16964 1 742 . 1 1 168 168 PHE C C 13 178.9 0.2 . 1 . . . . 166 F C . 16964 1 743 . 1 1 168 168 PHE CA C 13 59.1 0.2 . 1 . . . . 166 F CA . 16964 1 744 . 1 1 168 168 PHE CB C 13 37.8 0.2 . 1 . . . . 166 F CB . 16964 1 745 . 1 1 168 168 PHE CD1 C 13 130.4 0.2 . 3 . . . . 166 F CD1 . 16964 1 746 . 1 1 168 168 PHE CG C 13 137.7 0.2 . 1 . . . . 166 F CG . 16964 1 747 . 1 1 168 168 PHE N N 15 121.1 0.2 . 1 . . . . 166 F N . 16964 1 748 . 1 1 169 169 VAL C C 13 177.9 0.2 . 1 . . . . 167 V C . 16964 1 749 . 1 1 169 169 VAL CA C 13 66.5 0.2 . 1 . . . . 167 V CA . 16964 1 750 . 1 1 169 169 VAL CB C 13 30.4 0.2 . 1 . . . . 167 V CB . 16964 1 751 . 1 1 169 169 VAL CG1 C 13 24.0 0.2 . 2 . . . . 167 V CG1 . 16964 1 752 . 1 1 169 169 VAL N N 15 121.4 0.2 . 1 . . . . 167 V N . 16964 1 753 . 1 1 170 170 ASP CA C 13 57.9 0.2 . 1 . . . . 168 D CA . 16964 1 754 . 1 1 170 170 ASP CB C 13 39.8 0.2 . 1 . . . . 168 D CB . 16964 1 755 . 1 1 170 170 ASP CG C 13 182.6 0.2 . 1 . . . . 168 D CG . 16964 1 756 . 1 1 170 170 ASP N N 15 121.8 0.2 . 1 . . . . 168 D N . 16964 1 757 . 1 1 171 171 GLU CA C 13 60.2 0.2 . 1 . . . . 169 E CA . 16964 1 758 . 1 1 171 171 GLU CB C 13 29.6 0.2 . 1 . . . . 169 E CB . 16964 1 759 . 1 1 171 171 GLU CD C 13 182.0 0.2 . 1 . . . . 169 E CD . 16964 1 760 . 1 1 171 171 GLU CG C 13 35.7 0.2 . 1 . . . . 169 E CG . 16964 1 761 . 1 1 171 171 GLU N N 15 118.9 0.2 . 1 . . . . 169 E N . 16964 1 762 . 1 1 172 172 LEU CA C 13 58.2 0.2 . 1 . . . . 170 L CA . 16964 1 763 . 1 1 172 172 LEU CB C 13 38.9 0.2 . 1 . . . . 170 L CB . 16964 1 764 . 1 1 172 172 LEU CD1 C 13 22.7 0.2 . 2 . . . . 170 L CD1 . 16964 1 765 . 1 1 172 172 LEU CD2 C 13 23.4 0.2 . 2 . . . . 170 L CD2 . 16964 1 766 . 1 1 172 172 LEU CG C 13 24.8 0.2 . 1 . . . . 170 L CG . 16964 1 767 . 1 1 172 172 LEU N N 15 121.9 0.2 . 1 . . . . 170 L N . 16964 1 768 . 1 1 173 173 GLU C C 13 177.4 0.2 . 1 . . . . 171 E C . 16964 1 769 . 1 1 173 173 GLU CA C 13 59.2 0.2 . 1 . . . . 171 E CA . 16964 1 770 . 1 1 173 173 GLU CB C 13 29.5 0.2 . 1 . . . . 171 E CB . 16964 1 771 . 1 1 173 173 GLU CD C 13 182.8 0.2 . 1 . . . . 171 E CD . 16964 1 772 . 1 1 173 173 GLU CG C 13 36.4 0.2 . 1 . . . . 171 E CG . 16964 1 773 . 1 1 173 173 GLU N N 15 117.9 0.2 . 1 . . . . 171 E N . 16964 1 774 . 1 1 174 174 LYS C C 13 178.0 0.2 . 1 . . . . 172 K C . 16964 1 775 . 1 1 174 174 LYS CA C 13 57.4 0.2 . 1 . . . . 172 K CA . 16964 1 776 . 1 1 174 174 LYS CB C 13 33.0 0.2 . 1 . . . . 172 K CB . 16964 1 777 . 1 1 174 174 LYS CD C 13 29.0 0.2 . 1 . . . . 172 K CD . 16964 1 778 . 1 1 174 174 LYS CG C 13 25.2 0.2 . 1 . . . . 172 K CG . 16964 1 779 . 1 1 174 174 LYS N N 15 115.1 0.2 . 1 . . . . 172 K N . 16964 1 780 . 1 1 175 175 ALA C C 13 175.6 0.2 . 1 . . . . 173 A C . 16964 1 781 . 1 1 175 175 ALA CA C 13 53.0 0.2 . 1 . . . . 173 A CA . 16964 1 782 . 1 1 175 175 ALA CB C 13 19.1 0.2 . 1 . . . . 173 A CB . 16964 1 783 . 1 1 175 175 ALA N N 15 119.8 0.2 . 1 . . . . 173 A N . 16964 1 784 . 1 1 176 176 PHE C C 13 175.7 0.2 . 1 . . . . 174 F C . 16964 1 785 . 1 1 176 176 PHE CA C 13 54.9 0.2 . 1 . . . . 174 F CA . 16964 1 786 . 1 1 176 176 PHE CB C 13 42.2 0.2 . 1 . . . . 174 F CB . 16964 1 787 . 1 1 176 176 PHE CD1 C 13 132.7 0.2 . 3 . . . . 174 F CD1 . 16964 1 788 . 1 1 176 176 PHE CE1 C 13 131.4 0.2 . 3 . . . . 174 F CE1 . 16964 1 789 . 1 1 176 176 PHE CG C 13 140.4 0.2 . 1 . . . . 174 F CG . 16964 1 790 . 1 1 176 176 PHE CZ C 13 129.4 0.2 . 1 . . . . 174 F CZ . 16964 1 791 . 1 1 176 176 PHE N N 15 115.9 0.2 . 1 . . . . 174 F N . 16964 1 792 . 1 1 177 177 PRO CA C 13 62.9 0.2 . 1 . . . . 175 P CA . 16964 1 793 . 1 1 177 177 PRO CB C 13 32.9 0.2 . 1 . . . . 175 P CB . 16964 1 794 . 1 1 177 177 PRO CD C 13 49.6 0.2 . 1 . . . . 175 P CD . 16964 1 795 . 1 1 177 177 PRO CG C 13 27.7 0.2 . 1 . . . . 175 P CG . 16964 1 796 . 1 1 177 177 PRO N N 15 135.7 0.2 . 1 . . . . 175 P N . 16964 1 797 . 1 1 178 178 ILE N N 15 114.9 0.2 . 1 . . . . 176 I N . 16964 1 798 . 1 1 179 179 GLU C C 13 178.4 0.2 . 1 . . . . 177 E C . 16964 1 799 . 1 1 179 179 GLU CA C 13 61.4 0.2 . 1 . . . . 177 E CA . 16964 1 800 . 1 1 179 179 GLU CB C 13 29.5 0.2 . 1 . . . . 177 E CB . 16964 1 801 . 1 1 179 179 GLU CD C 13 178.3 0.2 . 1 . . . . 177 E CD . 16964 1 802 . 1 1 179 179 GLU CG C 13 36.3 0.2 . 1 . . . . 177 E CG . 16964 1 803 . 1 1 179 179 GLU N N 15 126.5 0.2 . 1 . . . . 177 E N . 16964 1 804 . 1 1 180 180 ALA CA C 13 55.1 0.2 . 1 . . . . 178 A CA . 16964 1 805 . 1 1 180 180 ALA CB C 13 16.7 0.2 . 1 . . . . 178 A CB . 16964 1 806 . 1 1 180 180 ALA N N 15 120.9 0.2 . 1 . . . . 178 A N . 16964 1 807 . 1 1 181 181 VAL C C 13 178.2 0.2 . 1 . . . . 179 V C . 16964 1 808 . 1 1 181 181 VAL CA C 13 65.7 0.2 . 1 . . . . 179 V CA . 16964 1 809 . 1 1 181 181 VAL CB C 13 32.0 0.2 . 1 . . . . 179 V CB . 16964 1 810 . 1 1 181 181 VAL CG1 C 13 22.1 0.2 . 2 . . . . 179 V CG1 . 16964 1 811 . 1 1 181 181 VAL CG2 C 13 21.2 0.2 . 2 . . . . 179 V CG2 . 16964 1 812 . 1 1 181 181 VAL N N 15 120.0 0.2 . 1 . . . . 179 V N . 16964 1 813 . 1 1 182 182 CYS C C 13 176.4 0.2 . 1 . . . . 180 C C . 16964 1 814 . 1 1 182 182 CYS CA C 13 65.4 0.2 . 1 . . . . 180 C CA . 16964 1 815 . 1 1 182 182 CYS CB C 13 26.2 0.2 . 1 . . . . 180 C CB . 16964 1 816 . 1 1 182 182 CYS N N 15 118.5 0.2 . 1 . . . . 180 C N . 16964 1 817 . 1 1 183 183 HIS CA C 13 60.6 0.2 . 1 . . . . 181 H CA . 16964 1 818 . 1 1 183 183 HIS CB C 13 29.5 0.2 . 1 . . . . 181 H CB . 16964 1 819 . 1 1 183 183 HIS CG C 13 133.8 0.2 . 1 . . . . 181 H CG . 16964 1 820 . 1 1 183 183 HIS N N 15 118.3 0.2 . 1 . . . . 181 H N . 16964 1 821 . 1 1 184 184 LYS CA C 13 58.6 0.2 . 1 . . . . 182 K CA . 16964 1 822 . 1 1 184 184 LYS CB C 13 31.7 0.2 . 1 . . . . 182 K CB . 16964 1 823 . 1 1 184 184 LYS CD C 13 29.4 0.2 . 1 . . . . 182 K CD . 16964 1 824 . 1 1 184 184 LYS CG C 13 25.6 0.2 . 1 . . . . 182 K CG . 16964 1 825 . 1 1 184 184 LYS N N 15 120.0 0.2 . 1 . . . . 182 K N . 16964 1 826 . 1 1 185 185 LEU C C 13 175.1 0.2 . 1 . . . . 183 L C . 16964 1 827 . 1 1 185 185 LEU CA C 13 54.8 0.2 . 1 . . . . 183 L CA . 16964 1 828 . 1 1 185 185 LEU CB C 13 44.5 0.2 . 1 . . . . 183 L CB . 16964 1 829 . 1 1 185 185 LEU N N 15 118.0 0.2 . 1 . . . . 183 L N . 16964 1 830 . 1 1 186 186 ALA CA C 13 55.1 0.2 . 1 . . . . 184 A CA . 16964 1 831 . 1 1 186 186 ALA CB C 13 17.8 0.2 . 1 . . . . 184 A CB . 16964 1 832 . 1 1 186 186 ALA N N 15 123.0 0.2 . 1 . . . . 184 A N . 16964 1 833 . 1 1 187 187 GLU C C 13 179.7 0.2 . 1 . . . . 185 E C . 16964 1 834 . 1 1 187 187 GLU CA C 13 59.4 0.2 . 1 . . . . 185 E CA . 16964 1 835 . 1 1 187 187 GLU CB C 13 29.4 0.2 . 1 . . . . 185 E CB . 16964 1 836 . 1 1 187 187 GLU CD C 13 183.7 0.2 . 1 . . . . 185 E CD . 16964 1 837 . 1 1 187 187 GLU CG C 13 37.4 0.2 . 1 . . . . 185 E CG . 16964 1 838 . 1 1 187 187 GLU N N 15 115.4 0.2 . 1 . . . . 185 E N . 16964 1 839 . 1 1 188 188 ILE C C 13 177.9 0.2 . 1 . . . . 186 I C . 16964 1 840 . 1 1 188 188 ILE CA C 13 66.1 0.2 . 1 . . . . 186 I CA . 16964 1 841 . 1 1 188 188 ILE CB C 13 37.3 0.2 . 1 . . . . 186 I CB . 16964 1 842 . 1 1 188 188 ILE CD1 C 13 13.6 0.2 . 1 . . . . 186 I CD1 . 16964 1 843 . 1 1 188 188 ILE CG1 C 13 30.6 0.2 . 1 . . . . 186 I CG1 . 16964 1 844 . 1 1 188 188 ILE CG2 C 13 18.6 0.2 . 1 . . . . 186 I CG2 . 16964 1 845 . 1 1 188 188 ILE N N 15 122.7 0.2 . 1 . . . . 186 I N . 16964 1 846 . 1 1 189 189 GLU C C 13 178.3 0.2 . 1 . . . . 187 E C . 16964 1 847 . 1 1 189 189 GLU CA C 13 59.1 0.2 . 1 . . . . 187 E CA . 16964 1 848 . 1 1 189 189 GLU CB C 13 29.5 0.2 . 1 . . . . 187 E CB . 16964 1 849 . 1 1 189 189 GLU CD C 13 180.7 0.2 . 1 . . . . 187 E CD . 16964 1 850 . 1 1 189 189 GLU CG C 13 37.2 0.2 . 1 . . . . 187 E CG . 16964 1 851 . 1 1 189 189 GLU N N 15 120.4 0.2 . 1 . . . . 187 E N . 16964 1 852 . 1 1 190 190 ILE C C 13 177.0 0.2 . 1 . . . . 188 I C . 16964 1 853 . 1 1 190 190 ILE CA C 13 59.8 0.2 . 1 . . . . 188 I CA . 16964 1 854 . 1 1 190 190 ILE CB C 13 38.4 0.2 . 1 . . . . 188 I CB . 16964 1 855 . 1 1 190 190 ILE CD1 C 13 14.4 0.2 . 1 . . . . 188 I CD1 . 16964 1 856 . 1 1 190 190 ILE CG1 C 13 25.4 0.2 . 1 . . . . 188 I CG1 . 16964 1 857 . 1 1 190 190 ILE CG2 C 13 17.4 0.2 . 1 . . . . 188 I CG2 . 16964 1 858 . 1 1 190 190 ILE N N 15 106.4 0.2 . 1 . . . . 188 I N . 16964 1 859 . 1 1 191 191 GLU C C 13 177.4 0.2 . 1 . . . . 189 E C . 16964 1 860 . 1 1 191 191 GLU CA C 13 59.5 0.2 . 1 . . . . 189 E CA . 16964 1 861 . 1 1 191 191 GLU CB C 13 27.2 0.2 . 1 . . . . 189 E CB . 16964 1 862 . 1 1 191 191 GLU N N 15 123.2 0.2 . 1 . . . . 189 E N . 16964 1 863 . 1 1 192 192 GLU C C 13 175.5 0.2 . 1 . . . . 190 E C . 16964 1 864 . 1 1 192 192 GLU CA C 13 56.1 0.2 . 1 . . . . 190 E CA . 16964 1 865 . 1 1 192 192 GLU CB C 13 29.5 0.2 . 1 . . . . 190 E CB . 16964 1 866 . 1 1 192 192 GLU CD C 13 184.1 0.2 . 1 . . . . 190 E CD . 16964 1 867 . 1 1 192 192 GLU CG C 13 36.8 0.2 . 1 . . . . 190 E CG . 16964 1 868 . 1 1 192 192 GLU N N 15 113.2 0.2 . 1 . . . . 190 E N . 16964 1 869 . 1 1 193 193 VAL C C 13 175.5 0.2 . 1 . . . . 191 V C . 16964 1 870 . 1 1 193 193 VAL CA C 13 62.7 0.2 . 1 . . . . 191 V CA . 16964 1 871 . 1 1 193 193 VAL CB C 13 30.6 0.2 . 1 . . . . 191 V CB . 16964 1 872 . 1 1 193 193 VAL CG1 C 13 19.7 0.2 . 2 . . . . 191 V CG1 . 16964 1 873 . 1 1 193 193 VAL CG2 C 13 22.6 0.2 . 2 . . . . 191 V CG2 . 16964 1 874 . 1 1 193 193 VAL N N 15 122.6 0.2 . 1 . . . . 191 V N . 16964 1 875 . 1 1 194 194 GLU C C 13 175.2 0.2 . 1 . . . . 192 E C . 16964 1 876 . 1 1 194 194 GLU CA C 13 55.9 0.2 . 1 . . . . 192 E CA . 16964 1 877 . 1 1 194 194 GLU CB C 13 32.1 0.2 . 1 . . . . 192 E CB . 16964 1 878 . 1 1 194 194 GLU CD C 13 184.0 0.2 . 1 . . . . 192 E CD . 16964 1 879 . 1 1 194 194 GLU CG C 13 35.9 0.2 . 1 . . . . 192 E CG . 16964 1 880 . 1 1 194 194 GLU N N 15 124.2 0.2 . 1 . . . . 192 E N . 16964 1 881 . 1 1 195 195 ASP C C 13 175.0 0.2 . 1 . . . . 193 D C . 16964 1 882 . 1 1 195 195 ASP CA C 13 51.9 0.2 . 1 . . . . 193 D CA . 16964 1 883 . 1 1 195 195 ASP CB C 13 42.2 0.2 . 1 . . . . 193 D CB . 16964 1 884 . 1 1 195 195 ASP CG C 13 181.3 0.2 . 1 . . . . 193 D CG . 16964 1 885 . 1 1 195 195 ASP N N 15 115.8 0.2 . 1 . . . . 193 D N . 16964 1 886 . 1 1 196 196 GLU C C 13 178.3 0.2 . 1 . . . . 194 E C . 16964 1 887 . 1 1 196 196 GLU CA C 13 60.1 0.2 . 1 . . . . 194 E CA . 16964 1 888 . 1 1 196 196 GLU CB C 13 29.8 0.2 . 1 . . . . 194 E CB . 16964 1 889 . 1 1 196 196 GLU CD C 13 181.3 0.2 . 1 . . . . 194 E CD . 16964 1 890 . 1 1 196 196 GLU CG C 13 35.9 0.2 . 1 . . . . 194 E CG . 16964 1 891 . 1 1 196 196 GLU N N 15 123.9 0.2 . 1 . . . . 194 E N . 16964 1 892 . 1 1 197 197 ALA C C 13 180.7 0.2 . 1 . . . . 195 A C . 16964 1 893 . 1 1 197 197 ALA CA C 13 55.9 0.2 . 1 . . . . 195 A CA . 16964 1 894 . 1 1 197 197 ALA CB C 13 18.0 0.2 . 1 . . . . 195 A CB . 16964 1 895 . 1 1 197 197 ALA N N 15 123.6 0.2 . 1 . . . . 195 A N . 16964 1 896 . 1 1 198 198 SER C C 13 175.7 0.2 . 1 . . . . 196 S C . 16964 1 897 . 1 1 198 198 SER CA C 13 62.7 0.2 . 1 . . . . 196 S CA . 16964 1 898 . 1 1 198 198 SER CB C 13 62.6 0.2 . 1 . . . . 196 S CB . 16964 1 899 . 1 1 198 198 SER N N 15 116.7 0.2 . 1 . . . . 196 S N . 16964 1 900 . 1 1 199 199 LEU C C 13 178.4 0.2 . 1 . . . . 197 L C . 16964 1 901 . 1 1 199 199 LEU CA C 13 57.7 0.2 . 1 . . . . 197 L CA . 16964 1 902 . 1 1 199 199 LEU CB C 13 42.8 0.2 . 1 . . . . 197 L CB . 16964 1 903 . 1 1 199 199 LEU CD1 C 13 23.8 0.2 . 2 . . . . 197 L CD1 . 16964 1 904 . 1 1 199 199 LEU CD2 C 13 23.0 0.2 . 2 . . . . 197 L CD2 . 16964 1 905 . 1 1 199 199 LEU CG C 13 27.3 0.2 . 1 . . . . 197 L CG . 16964 1 906 . 1 1 199 199 LEU N N 15 121.1 0.2 . 1 . . . . 197 L N . 16964 1 907 . 1 1 200 200 THR C C 13 176.0 0.2 . 1 . . . . 198 T C . 16964 1 908 . 1 1 200 200 THR CA C 13 67.2 0.2 . 1 . . . . 198 T CA . 16964 1 909 . 1 1 200 200 THR CB C 13 68.6 0.2 . 1 . . . . 198 T CB . 16964 1 910 . 1 1 200 200 THR CG2 C 13 21.1 0.2 . 1 . . . . 198 T CG2 . 16964 1 911 . 1 1 200 200 THR N N 15 117.3 0.2 . 1 . . . . 198 T N . 16964 1 912 . 1 1 201 201 ILE C C 13 178.7 0.2 . 1 . . . . 199 I C . 16964 1 913 . 1 1 201 201 ILE CA C 13 64.8 0.2 . 1 . . . . 199 I CA . 16964 1 914 . 1 1 201 201 ILE CB C 13 37.5 0.2 . 1 . . . . 199 I CB . 16964 1 915 . 1 1 201 201 ILE CD1 C 13 13.5 0.2 . 1 . . . . 199 I CD1 . 16964 1 916 . 1 1 201 201 ILE CG1 C 13 29.1 0.2 . 1 . . . . 199 I CG1 . 16964 1 917 . 1 1 201 201 ILE CG2 C 13 17.6 0.2 . 1 . . . . 199 I CG2 . 16964 1 918 . 1 1 201 201 ILE N N 15 122.2 0.2 . 1 . . . . 199 I N . 16964 1 919 . 1 1 202 202 LEU CA C 13 58.0 0.2 . 1 . . . . 200 L CA . 16964 1 920 . 1 1 202 202 LEU CB C 13 42.0 0.2 . 1 . . . . 200 L CB . 16964 1 921 . 1 1 202 202 LEU CD1 C 13 26.3 0.2 . 2 . . . . 200 L CD1 . 16964 1 922 . 1 1 202 202 LEU CD2 C 13 25.2 0.2 . 2 . . . . 200 L CD2 . 16964 1 923 . 1 1 202 202 LEU CG C 13 29.6 0.2 . 1 . . . . 200 L CG . 16964 1 924 . 1 1 202 202 LEU N N 15 119.4 0.2 . 1 . . . . 200 L N . 16964 1 925 . 1 1 203 203 LYS CA C 13 60.0 0.2 . 1 . . . . 201 K CA . 16964 1 926 . 1 1 203 203 LYS CB C 13 32.5 0.2 . 1 . . . . 201 K CB . 16964 1 927 . 1 1 203 203 LYS CD C 13 29.5 0.2 . 1 . . . . 201 K CD . 16964 1 928 . 1 1 203 203 LYS CE C 13 41.5 0.2 . 1 . . . . 201 K CE . 16964 1 929 . 1 1 203 203 LYS CG C 13 24.1 0.2 . 1 . . . . 201 K CG . 16964 1 930 . 1 1 203 203 LYS N N 15 118.1 0.2 . 1 . . . . 201 K N . 16964 1 931 . 1 1 204 204 ASP CA C 13 56.9 0.2 . 1 . . . . 202 D CA . 16964 1 932 . 1 1 204 204 ASP CB C 13 41.3 0.2 . 1 . . . . 202 D CB . 16964 1 933 . 1 1 204 204 ASP N N 15 117.7 0.2 . 1 . . . . 202 D N . 16964 1 934 . 1 1 205 205 ALA C C 13 177.3 0.2 . 1 . . . . 203 A C . 16964 1 935 . 1 1 205 205 ALA CA C 13 54.8 0.2 . 1 . . . . 203 A CA . 16964 1 936 . 1 1 205 205 ALA CB C 13 17.9 0.2 . 1 . . . . 203 A CB . 16964 1 937 . 1 1 205 205 ALA N N 15 123.1 0.2 . 1 . . . . 203 A N . 16964 1 938 . 1 1 206 206 ALA C C 13 178.9 0.2 . 1 . . . . 204 A C . 16964 1 939 . 1 1 206 206 ALA CA C 13 52.5 0.2 . 1 . . . . 204 A CA . 16964 1 940 . 1 1 206 206 ALA CB C 13 18.6 0.2 . 1 . . . . 204 A CB . 16964 1 941 . 1 1 206 206 ALA N N 15 115.9 0.2 . 1 . . . . 204 A N . 16964 1 942 . 1 1 207 207 GLY C C 13 175.2 0.2 . 1 . . . . 205 G C . 16964 1 943 . 1 1 207 207 GLY CA C 13 47.6 0.2 . 1 . . . . 205 G CA . 16964 1 944 . 1 1 207 207 GLY N N 15 108.0 0.2 . 1 . . . . 205 G N . 16964 1 945 . 1 1 208 208 GLY C C 13 174.0 0.2 . 1 . . . . 206 G C . 16964 1 946 . 1 1 208 208 GLY CA C 13 45.8 0.2 . 1 . . . . 206 G CA . 16964 1 947 . 1 1 208 208 GLY N N 15 116.7 0.2 . 1 . . . . 206 G N . 16964 1 948 . 1 1 209 209 ILE C C 13 174.5 0.2 . 1 . . . . 207 I C . 16964 1 949 . 1 1 209 209 ILE CA C 13 61.4 0.2 . 1 . . . . 207 I CA . 16964 1 950 . 1 1 209 209 ILE CB C 13 41.3 0.2 . 1 . . . . 207 I CB . 16964 1 951 . 1 1 209 209 ILE CD1 C 13 15.1 0.2 . 1 . . . . 207 I CD1 . 16964 1 952 . 1 1 209 209 ILE CG2 C 13 17.7 0.2 . 1 . . . . 207 I CG2 . 16964 1 953 . 1 1 209 209 ILE N N 15 114.8 0.2 . 1 . . . . 207 I N . 16964 1 954 . 1 1 210 210 ASP C C 13 174.5 0.2 . 1 . . . . 208 D C . 16964 1 955 . 1 1 210 210 ASP CA C 13 52.7 0.2 . 1 . . . . 208 D CA . 16964 1 956 . 1 1 210 210 ASP CB C 13 41.8 0.2 . 1 . . . . 208 D CB . 16964 1 957 . 1 1 210 210 ASP CG C 13 178.8 0.2 . 1 . . . . 208 D CG . 16964 1 958 . 1 1 210 210 ASP N N 15 120.5 0.2 . 1 . . . . 208 D N . 16964 1 959 . 1 1 211 211 ALA C C 13 179.2 0.2 . 1 . . . . 209 A C . 16964 1 960 . 1 1 211 211 ALA CA C 13 54.8 0.2 . 1 . . . . 209 A CA . 16964 1 961 . 1 1 211 211 ALA CB C 13 18.4 0.2 . 1 . . . . 209 A CB . 16964 1 962 . 1 1 211 211 ALA N N 15 129.2 0.2 . 1 . . . . 209 A N . 16964 1 963 . 1 1 212 212 ALA C C 13 174.9 0.2 . 1 . . . . 210 A C . 16964 1 964 . 1 1 212 212 ALA CA C 13 54.9 0.2 . 1 . . . . 210 A CA . 16964 1 965 . 1 1 212 212 ALA CB C 13 18.1 0.2 . 1 . . . . 210 A CB . 16964 1 966 . 1 1 212 212 ALA N N 15 120.1 0.2 . 1 . . . . 210 A N . 16964 1 967 . 1 1 213 213 MET C C 13 177.8 0.2 . 1 . . . . 211 M C . 16964 1 968 . 1 1 213 213 MET CA C 13 58.4 0.2 . 1 . . . . 211 M CA . 16964 1 969 . 1 1 213 213 MET CB C 13 33.9 0.2 . 1 . . . . 211 M CB . 16964 1 970 . 1 1 213 213 MET CG C 13 30.7 0.2 . 1 . . . . 211 M CG . 16964 1 971 . 1 1 213 213 MET N N 15 120.9 0.2 . 1 . . . . 211 M N . 16964 1 972 . 1 1 214 214 SER C C 13 176.5 0.2 . 1 . . . . 212 S C . 16964 1 973 . 1 1 214 214 SER CA C 13 62.7 0.2 . 1 . . . . 212 S CA . 16964 1 974 . 1 1 214 214 SER N N 15 113.2 0.2 . 1 . . . . 212 S N . 16964 1 975 . 1 1 215 215 ASP C C 13 178.7 0.2 . 1 . . . . 213 D C . 16964 1 976 . 1 1 215 215 ASP CA C 13 56.8 0.2 . 1 . . . . 213 D CA . 16964 1 977 . 1 1 215 215 ASP CB C 13 40.4 0.2 . 1 . . . . 213 D CB . 16964 1 978 . 1 1 215 215 ASP N N 15 119.3 0.2 . 1 . . . . 213 D N . 16964 1 979 . 1 1 216 216 ALA CA C 13 55.0 0.2 . 1 . . . . 214 A CA . 16964 1 980 . 1 1 216 216 ALA CB C 13 17.4 0.2 . 1 . . . . 214 A CB . 16964 1 981 . 1 1 216 216 ALA N N 15 123.1 0.2 . 1 . . . . 214 A N . 16964 1 982 . 1 1 217 217 ALA CA C 13 55.4 0.2 . 1 . . . . 215 A CA . 16964 1 983 . 1 1 217 217 ALA CB C 13 17.5 0.2 . 1 . . . . 215 A CB . 16964 1 984 . 1 1 217 217 ALA N N 15 122.2 0.2 . 1 . . . . 215 A N . 16964 1 985 . 1 1 218 218 ALA CA C 13 55.6 0.2 . 1 . . . . 216 A CA . 16964 1 986 . 1 1 218 218 ALA CB C 13 17.9 0.2 . 1 . . . . 216 A CB . 16964 1 987 . 1 1 218 218 ALA N N 15 121.8 0.2 . 1 . . . . 216 A N . 16964 1 988 . 1 1 219 219 GLN CA C 13 58.2 0.2 . 1 . . . . 217 Q CA . 16964 1 989 . 1 1 219 219 GLN CB C 13 28.5 0.2 . 1 . . . . 217 Q CB . 16964 1 990 . 1 1 219 219 GLN CD C 13 178.8 0.2 . 1 . . . . 217 Q CD . 16964 1 991 . 1 1 219 219 GLN CG C 13 32.8 0.2 . 1 . . . . 217 Q CG . 16964 1 992 . 1 1 219 219 GLN N N 15 116.6 0.2 . 1 . . . . 217 Q N . 16964 1 993 . 1 1 220 220 LYS C C 13 178.7 0.2 . 1 . . . . 218 K C . 16964 1 994 . 1 1 220 220 LYS CA C 13 59.8 0.2 . 1 . . . . 218 K CA . 16964 1 995 . 1 1 220 220 LYS CB C 13 32.5 0.2 . 1 . . . . 218 K CB . 16964 1 996 . 1 1 220 220 LYS CD C 13 29.5 0.2 . 1 . . . . 218 K CD . 16964 1 997 . 1 1 220 220 LYS CE C 13 42.8 0.2 . 1 . . . . 218 K CE . 16964 1 998 . 1 1 220 220 LYS CG C 13 26.1 0.2 . 1 . . . . 218 K CG . 16964 1 999 . 1 1 220 220 LYS N N 15 121.5 0.2 . 1 . . . . 218 K N . 16964 1 1000 . 1 1 221 221 ILE C C 13 178.9 0.2 . 1 . . . . 219 I C . 16964 1 1001 . 1 1 221 221 ILE CA C 13 66.2 0.2 . 1 . . . . 219 I CA . 16964 1 1002 . 1 1 221 221 ILE CB C 13 38.2 0.2 . 1 . . . . 219 I CB . 16964 1 1003 . 1 1 221 221 ILE CD1 C 13 13.5 0.2 . 1 . . . . 219 I CD1 . 16964 1 1004 . 1 1 221 221 ILE CG1 C 13 29.0 0.2 . 1 . . . . 219 I CG1 . 16964 1 1005 . 1 1 221 221 ILE CG2 C 13 17.5 0.2 . 1 . . . . 219 I CG2 . 16964 1 1006 . 1 1 221 221 ILE N N 15 120.9 0.2 . 1 . . . . 219 I N . 16964 1 1007 . 1 1 222 222 ASP CA C 13 57.3 0.2 . 1 . . . . 220 D CA . 16964 1 1008 . 1 1 222 222 ASP CB C 13 40.2 0.2 . 1 . . . . 220 D CB . 16964 1 1009 . 1 1 222 222 ASP N N 15 118.5 0.2 . 1 . . . . 220 D N . 16964 1 1010 . 1 1 223 223 ALA C C 13 179.8 0.2 . 1 . . . . 221 A C . 16964 1 1011 . 1 1 223 223 ALA CA C 13 54.2 0.2 . 1 . . . . 221 A CA . 16964 1 1012 . 1 1 223 223 ALA CB C 13 18.4 0.2 . 1 . . . . 221 A CB . 16964 1 1013 . 1 1 223 223 ALA N N 15 121.4 0.2 . 1 . . . . 221 A N . 16964 1 1014 . 1 1 224 224 ILE C C 13 179.3 0.2 . 1 . . . . 222 I C . 16964 1 1015 . 1 1 224 224 ILE CA C 13 64.3 0.2 . 1 . . . . 222 I CA . 16964 1 1016 . 1 1 224 224 ILE CB C 13 38.3 0.2 . 1 . . . . 222 I CB . 16964 1 1017 . 1 1 224 224 ILE CG1 C 13 29.1 0.2 . 1 . . . . 222 I CG1 . 16964 1 1018 . 1 1 224 224 ILE CG2 C 13 17.3 0.2 . 1 . . . . 222 I CG2 . 16964 1 1019 . 1 1 224 224 ILE N N 15 120.7 0.2 . 1 . . . . 222 I N . 16964 1 1020 . 1 1 225 225 VAL CA C 13 62.9 0.2 . 1 . . . . 223 V CA . 16964 1 1021 . 1 1 225 225 VAL CB C 13 29.9 0.2 . 1 . . . . 223 V CB . 16964 1 1022 . 1 1 225 225 VAL N N 15 120.3 0.2 . 1 . . . . 223 V N . 16964 1 stop_ save_