data_18815 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18815 _Entry.Title ; N-histidine-tagged EIAV-CA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-31 _Entry.Accession_date 2012-10-31 _Entry.Last_release_date 2012-11-07 _Entry.Original_release_date 2012-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'the variant EIAV-CA with an N-terminal histidine tag' _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 Kang Chen . . . 18815 2 Nico Tjandra . . . 18815 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18815 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 650 18815 '15N chemical shifts' 207 18815 '1H chemical shifts' 207 18815 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-11-07 2012-10-31 original author . 18815 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18421 eiavCAmonomer 18815 stop_ save_ ############### # Citations # ############### save_Citation _Citation.Sf_category citations _Citation.Sf_framecode Citation _Citation.Entry_ID 18815 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title eiav-ca _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kang Chen . . . 18815 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18815 _Assembly.ID 1 _Assembly.Name his-eiav-ca _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 his-eiav-ca 1 $his-eiav-ca A . yes native no no . . . 18815 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_his-eiav-ca _Entity.Sf_category entity _Entity.Sf_framecode his-eiav-ca _Entity.Entry_ID 18815 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name his-eiav-ca _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 ; AHHHHHHGPIMIDGAGNRNF RPLTPRGYTTWVNTIQTNGL LNEASQNLFGILSVDCTSEE MNAFLDVVPGQAGQKQILLD AIDKIADDWDNRHPLPNAPL VAPPQGPIPMTARFIRGLGV PRERQMEPAFDQFRQTYRQW IIEAMSEGIKVMIGKPKAQN IRQGAKEPYPEFVDRLLSQI KSEGHPQEISKFLTDTLTIQ NANEECRNAMRHLRPEDTLE EKMYACRDIGTTKQKMM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 237 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18421 . eiavCA . . . . . 96.62 230 100.00 100.00 8.67e-169 . . . . 18815 1 2 no PDB 1EIA . "X-Ray Crystal Structure Of Equine Infectious Anemia Virus (Eiav) Capsid Protein P26" . . . . . 87.34 207 100.00 100.00 2.57e-151 . . . . 18815 1 3 no PDB 2EIA . "X-Ray Crystal Structure Of Equine Infectious Anemia Virus (Eiav) Capsid Protein P26" . . . . . 86.92 206 100.00 100.00 1.68e-150 . . . . 18815 1 4 no DBJ BAB12103 . "gag polyprotein [Equine infectious anemia virus]" . . . . . 96.62 488 98.69 99.56 1.08e-164 . . . . 18815 1 5 no DBJ BAB12109 . "gag polyprotein [Equine infectious anemia virus]" . . . . . 96.62 488 97.82 99.13 4.10e-163 . . . . 18815 1 6 no GB AAA43003 . "gag protein [Equine infectious anemia virus]" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 1 7 no GB AAA43010 . "gag protein, partial [Equine infectious anemia virus]" . . . . . 96.62 365 100.00 100.00 1.03e-168 . . . . 18815 1 8 no GB AAA43011 . "gag [Equine infectious anemia virus]" . . . . . 96.62 512 100.00 100.00 8.80e-166 . . . . 18815 1 9 no GB AAB59861 . "gag protein [Equine infectious anemia virus]" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 1 10 no GB AAC03760 . "gag polyprotein [Equine infectious anemia virus]" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 1 11 no REF NP_056901 . "gag protein [Equine infectious anemia virus]" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 1 12 no SP P69730 . "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p26" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 1 13 no SP P69731 . "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p26" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 1 14 no SP P69732 . "RecName: Full=Gag polyprotein; Contains: RecName: Full=Matrix protein p15; Short=MA; Contains: RecName: Full=Capsid protein p26" . . . . . 96.62 486 100.00 100.00 1.79e-166 . . . . 18815 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 -7 ALA . 18815 1 2 -6 HIS . 18815 1 3 -5 HIS . 18815 1 4 -4 HIS . 18815 1 5 -3 HIS . 18815 1 6 -2 HIS . 18815 1 7 -1 HIS . 18815 1 8 0 GLY . 18815 1 9 1 PRO . 18815 1 10 2 ILE . 18815 1 11 3 MET . 18815 1 12 4 ILE . 18815 1 13 5 ASP . 18815 1 14 6 GLY . 18815 1 15 7 ALA . 18815 1 16 8 GLY . 18815 1 17 9 ASN . 18815 1 18 10 ARG . 18815 1 19 11 ASN . 18815 1 20 12 PHE . 18815 1 21 13 ARG . 18815 1 22 14 PRO . 18815 1 23 15 LEU . 18815 1 24 16 THR . 18815 1 25 17 PRO . 18815 1 26 18 ARG . 18815 1 27 19 GLY . 18815 1 28 20 TYR . 18815 1 29 21 THR . 18815 1 30 22 THR . 18815 1 31 23 TRP . 18815 1 32 24 VAL . 18815 1 33 25 ASN . 18815 1 34 26 THR . 18815 1 35 27 ILE . 18815 1 36 28 GLN . 18815 1 37 29 THR . 18815 1 38 30 ASN . 18815 1 39 31 GLY . 18815 1 40 32 LEU . 18815 1 41 33 LEU . 18815 1 42 34 ASN . 18815 1 43 35 GLU . 18815 1 44 36 ALA . 18815 1 45 37 SER . 18815 1 46 38 GLN . 18815 1 47 39 ASN . 18815 1 48 40 LEU . 18815 1 49 41 PHE . 18815 1 50 42 GLY . 18815 1 51 43 ILE . 18815 1 52 44 LEU . 18815 1 53 45 SER . 18815 1 54 46 VAL . 18815 1 55 47 ASP . 18815 1 56 48 CYS . 18815 1 57 49 THR . 18815 1 58 50 SER . 18815 1 59 51 GLU . 18815 1 60 52 GLU . 18815 1 61 53 MET . 18815 1 62 54 ASN . 18815 1 63 55 ALA . 18815 1 64 56 PHE . 18815 1 65 57 LEU . 18815 1 66 58 ASP . 18815 1 67 59 VAL . 18815 1 68 60 VAL . 18815 1 69 61 PRO . 18815 1 70 62 GLY . 18815 1 71 63 GLN . 18815 1 72 64 ALA . 18815 1 73 65 GLY . 18815 1 74 66 GLN . 18815 1 75 67 LYS . 18815 1 76 68 GLN . 18815 1 77 69 ILE . 18815 1 78 70 LEU . 18815 1 79 71 LEU . 18815 1 80 72 ASP . 18815 1 81 73 ALA . 18815 1 82 74 ILE . 18815 1 83 75 ASP . 18815 1 84 76 LYS . 18815 1 85 77 ILE . 18815 1 86 78 ALA . 18815 1 87 79 ASP . 18815 1 88 80 ASP . 18815 1 89 81 TRP . 18815 1 90 82 ASP . 18815 1 91 83 ASN . 18815 1 92 84 ARG . 18815 1 93 85 HIS . 18815 1 94 86 PRO . 18815 1 95 87 LEU . 18815 1 96 88 PRO . 18815 1 97 89 ASN . 18815 1 98 90 ALA . 18815 1 99 91 PRO . 18815 1 100 92 LEU . 18815 1 101 93 VAL . 18815 1 102 94 ALA . 18815 1 103 95 PRO . 18815 1 104 96 PRO . 18815 1 105 97 GLN . 18815 1 106 98 GLY . 18815 1 107 99 PRO . 18815 1 108 100 ILE . 18815 1 109 101 PRO . 18815 1 110 102 MET . 18815 1 111 103 THR . 18815 1 112 104 ALA . 18815 1 113 105 ARG . 18815 1 114 106 PHE . 18815 1 115 107 ILE . 18815 1 116 108 ARG . 18815 1 117 109 GLY . 18815 1 118 110 LEU . 18815 1 119 111 GLY . 18815 1 120 112 VAL . 18815 1 121 113 PRO . 18815 1 122 114 ARG . 18815 1 123 115 GLU . 18815 1 124 116 ARG . 18815 1 125 117 GLN . 18815 1 126 118 MET . 18815 1 127 119 GLU . 18815 1 128 120 PRO . 18815 1 129 121 ALA . 18815 1 130 122 PHE . 18815 1 131 123 ASP . 18815 1 132 124 GLN . 18815 1 133 125 PHE . 18815 1 134 126 ARG . 18815 1 135 127 GLN . 18815 1 136 128 THR . 18815 1 137 129 TYR . 18815 1 138 130 ARG . 18815 1 139 131 GLN . 18815 1 140 132 TRP . 18815 1 141 133 ILE . 18815 1 142 134 ILE . 18815 1 143 135 GLU . 18815 1 144 136 ALA . 18815 1 145 137 MET . 18815 1 146 138 SER . 18815 1 147 139 GLU . 18815 1 148 140 GLY . 18815 1 149 141 ILE . 18815 1 150 142 LYS . 18815 1 151 143 VAL . 18815 1 152 144 MET . 18815 1 153 145 ILE . 18815 1 154 146 GLY . 18815 1 155 147 LYS . 18815 1 156 148 PRO . 18815 1 157 149 LYS . 18815 1 158 150 ALA . 18815 1 159 151 GLN . 18815 1 160 152 ASN . 18815 1 161 153 ILE . 18815 1 162 154 ARG . 18815 1 163 155 GLN . 18815 1 164 156 GLY . 18815 1 165 157 ALA . 18815 1 166 158 LYS . 18815 1 167 159 GLU . 18815 1 168 160 PRO . 18815 1 169 161 TYR . 18815 1 170 162 PRO . 18815 1 171 163 GLU . 18815 1 172 164 PHE . 18815 1 173 165 VAL . 18815 1 174 166 ASP . 18815 1 175 167 ARG . 18815 1 176 168 LEU . 18815 1 177 169 LEU . 18815 1 178 170 SER . 18815 1 179 171 GLN . 18815 1 180 172 ILE . 18815 1 181 173 LYS . 18815 1 182 174 SER . 18815 1 183 175 GLU . 18815 1 184 176 GLY . 18815 1 185 177 HIS . 18815 1 186 178 PRO . 18815 1 187 179 GLN . 18815 1 188 180 GLU . 18815 1 189 181 ILE . 18815 1 190 182 SER . 18815 1 191 183 LYS . 18815 1 192 184 PHE . 18815 1 193 185 LEU . 18815 1 194 186 THR . 18815 1 195 187 ASP . 18815 1 196 188 THR . 18815 1 197 189 LEU . 18815 1 198 190 THR . 18815 1 199 191 ILE . 18815 1 200 192 GLN . 18815 1 201 193 ASN . 18815 1 202 194 ALA . 18815 1 203 195 ASN . 18815 1 204 196 GLU . 18815 1 205 197 GLU . 18815 1 206 198 CYS . 18815 1 207 199 ARG . 18815 1 208 200 ASN . 18815 1 209 201 ALA . 18815 1 210 202 MET . 18815 1 211 203 ARG . 18815 1 212 204 HIS . 18815 1 213 205 LEU . 18815 1 214 206 ARG . 18815 1 215 207 PRO . 18815 1 216 208 GLU . 18815 1 217 209 ASP . 18815 1 218 210 THR . 18815 1 219 211 LEU . 18815 1 220 212 GLU . 18815 1 221 213 GLU . 18815 1 222 214 LYS . 18815 1 223 215 MET . 18815 1 224 216 TYR . 18815 1 225 217 ALA . 18815 1 226 218 CYS . 18815 1 227 219 ARG . 18815 1 228 220 ASP . 18815 1 229 221 ILE . 18815 1 230 222 GLY . 18815 1 231 223 THR . 18815 1 232 224 THR . 18815 1 233 225 LYS . 18815 1 234 226 GLN . 18815 1 235 227 LYS . 18815 1 236 228 MET . 18815 1 237 229 MET . 18815 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 . ALA 1 1 18815 1 . HIS 2 2 18815 1 . HIS 3 3 18815 1 . HIS 4 4 18815 1 . HIS 5 5 18815 1 . HIS 6 6 18815 1 . HIS 7 7 18815 1 . GLY 8 8 18815 1 . PRO 9 9 18815 1 . ILE 10 10 18815 1 . MET 11 11 18815 1 . ILE 12 12 18815 1 . ASP 13 13 18815 1 . GLY 14 14 18815 1 . ALA 15 15 18815 1 . GLY 16 16 18815 1 . ASN 17 17 18815 1 . ARG 18 18 18815 1 . ASN 19 19 18815 1 . PHE 20 20 18815 1 . ARG 21 21 18815 1 . PRO 22 22 18815 1 . LEU 23 23 18815 1 . THR 24 24 18815 1 . PRO 25 25 18815 1 . ARG 26 26 18815 1 . GLY 27 27 18815 1 . TYR 28 28 18815 1 . THR 29 29 18815 1 . THR 30 30 18815 1 . TRP 31 31 18815 1 . VAL 32 32 18815 1 . ASN 33 33 18815 1 . THR 34 34 18815 1 . ILE 35 35 18815 1 . GLN 36 36 18815 1 . THR 37 37 18815 1 . ASN 38 38 18815 1 . GLY 39 39 18815 1 . LEU 40 40 18815 1 . LEU 41 41 18815 1 . ASN 42 42 18815 1 . GLU 43 43 18815 1 . ALA 44 44 18815 1 . SER 45 45 18815 1 . GLN 46 46 18815 1 . ASN 47 47 18815 1 . LEU 48 48 18815 1 . PHE 49 49 18815 1 . GLY 50 50 18815 1 . ILE 51 51 18815 1 . LEU 52 52 18815 1 . SER 53 53 18815 1 . VAL 54 54 18815 1 . ASP 55 55 18815 1 . CYS 56 56 18815 1 . THR 57 57 18815 1 . SER 58 58 18815 1 . GLU 59 59 18815 1 . GLU 60 60 18815 1 . MET 61 61 18815 1 . ASN 62 62 18815 1 . ALA 63 63 18815 1 . PHE 64 64 18815 1 . LEU 65 65 18815 1 . ASP 66 66 18815 1 . VAL 67 67 18815 1 . VAL 68 68 18815 1 . PRO 69 69 18815 1 . GLY 70 70 18815 1 . GLN 71 71 18815 1 . ALA 72 72 18815 1 . GLY 73 73 18815 1 . GLN 74 74 18815 1 . LYS 75 75 18815 1 . GLN 76 76 18815 1 . ILE 77 77 18815 1 . LEU 78 78 18815 1 . LEU 79 79 18815 1 . ASP 80 80 18815 1 . ALA 81 81 18815 1 . ILE 82 82 18815 1 . ASP 83 83 18815 1 . LYS 84 84 18815 1 . ILE 85 85 18815 1 . ALA 86 86 18815 1 . ASP 87 87 18815 1 . ASP 88 88 18815 1 . TRP 89 89 18815 1 . ASP 90 90 18815 1 . ASN 91 91 18815 1 . ARG 92 92 18815 1 . HIS 93 93 18815 1 . PRO 94 94 18815 1 . LEU 95 95 18815 1 . PRO 96 96 18815 1 . ASN 97 97 18815 1 . ALA 98 98 18815 1 . PRO 99 99 18815 1 . LEU 100 100 18815 1 . VAL 101 101 18815 1 . ALA 102 102 18815 1 . PRO 103 103 18815 1 . PRO 104 104 18815 1 . GLN 105 105 18815 1 . GLY 106 106 18815 1 . PRO 107 107 18815 1 . ILE 108 108 18815 1 . PRO 109 109 18815 1 . MET 110 110 18815 1 . THR 111 111 18815 1 . ALA 112 112 18815 1 . ARG 113 113 18815 1 . PHE 114 114 18815 1 . ILE 115 115 18815 1 . ARG 116 116 18815 1 . GLY 117 117 18815 1 . LEU 118 118 18815 1 . GLY 119 119 18815 1 . VAL 120 120 18815 1 . PRO 121 121 18815 1 . ARG 122 122 18815 1 . GLU 123 123 18815 1 . ARG 124 124 18815 1 . GLN 125 125 18815 1 . MET 126 126 18815 1 . GLU 127 127 18815 1 . PRO 128 128 18815 1 . ALA 129 129 18815 1 . PHE 130 130 18815 1 . ASP 131 131 18815 1 . GLN 132 132 18815 1 . PHE 133 133 18815 1 . ARG 134 134 18815 1 . GLN 135 135 18815 1 . THR 136 136 18815 1 . TYR 137 137 18815 1 . ARG 138 138 18815 1 . GLN 139 139 18815 1 . TRP 140 140 18815 1 . ILE 141 141 18815 1 . ILE 142 142 18815 1 . GLU 143 143 18815 1 . ALA 144 144 18815 1 . MET 145 145 18815 1 . SER 146 146 18815 1 . GLU 147 147 18815 1 . GLY 148 148 18815 1 . ILE 149 149 18815 1 . LYS 150 150 18815 1 . VAL 151 151 18815 1 . MET 152 152 18815 1 . ILE 153 153 18815 1 . GLY 154 154 18815 1 . LYS 155 155 18815 1 . PRO 156 156 18815 1 . LYS 157 157 18815 1 . ALA 158 158 18815 1 . GLN 159 159 18815 1 . ASN 160 160 18815 1 . ILE 161 161 18815 1 . ARG 162 162 18815 1 . GLN 163 163 18815 1 . GLY 164 164 18815 1 . ALA 165 165 18815 1 . LYS 166 166 18815 1 . GLU 167 167 18815 1 . PRO 168 168 18815 1 . TYR 169 169 18815 1 . PRO 170 170 18815 1 . GLU 171 171 18815 1 . PHE 172 172 18815 1 . VAL 173 173 18815 1 . ASP 174 174 18815 1 . ARG 175 175 18815 1 . LEU 176 176 18815 1 . LEU 177 177 18815 1 . SER 178 178 18815 1 . GLN 179 179 18815 1 . ILE 180 180 18815 1 . LYS 181 181 18815 1 . SER 182 182 18815 1 . GLU 183 183 18815 1 . GLY 184 184 18815 1 . HIS 185 185 18815 1 . PRO 186 186 18815 1 . GLN 187 187 18815 1 . GLU 188 188 18815 1 . ILE 189 189 18815 1 . SER 190 190 18815 1 . LYS 191 191 18815 1 . PHE 192 192 18815 1 . LEU 193 193 18815 1 . THR 194 194 18815 1 . ASP 195 195 18815 1 . THR 196 196 18815 1 . LEU 197 197 18815 1 . THR 198 198 18815 1 . ILE 199 199 18815 1 . GLN 200 200 18815 1 . ASN 201 201 18815 1 . ALA 202 202 18815 1 . ASN 203 203 18815 1 . GLU 204 204 18815 1 . GLU 205 205 18815 1 . CYS 206 206 18815 1 . ARG 207 207 18815 1 . ASN 208 208 18815 1 . ALA 209 209 18815 1 . MET 210 210 18815 1 . ARG 211 211 18815 1 . HIS 212 212 18815 1 . LEU 213 213 18815 1 . ARG 214 214 18815 1 . PRO 215 215 18815 1 . GLU 216 216 18815 1 . ASP 217 217 18815 1 . THR 218 218 18815 1 . LEU 219 219 18815 1 . GLU 220 220 18815 1 . GLU 221 221 18815 1 . LYS 222 222 18815 1 . MET 223 223 18815 1 . TYR 224 224 18815 1 . ALA 225 225 18815 1 . CYS 226 226 18815 1 . ARG 227 227 18815 1 . ASP 228 228 18815 1 . ILE 229 229 18815 1 . GLY 230 230 18815 1 . THR 231 231 18815 1 . THR 232 232 18815 1 . LYS 233 233 18815 1 . GLN 234 234 18815 1 . LYS 235 235 18815 1 . MET 236 236 18815 1 . MET 237 237 18815 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 18815 _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 $his-eiav-ca . 11665 organism . 'Equine infectious anemia virus' 'swamp fever' . . Viruses . Lentivirus . . . . . . . . . . . . . . . . . . . . . . 18815 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 18815 _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 $his-eiav-ca . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 18815 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18815 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 his-eiav-ca '[U-13C; U-15N; U-2H]' . . 1 $his-eiav-ca . . 0.15 . . mM . . . . 18815 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18815 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18815 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 18815 _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' 0 . M 18815 1 pH 6.7 . pH 18815 1 pressure 1 . atm 18815 1 temperature 300 . K 18815 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18815 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18815 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18815 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18815 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18815 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18815 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18815 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18815 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18815 _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 . 600 . . . 18815 1 2 spectrometer_2 Bruker Avance . 900 . . . 18815 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 18815 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18815 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18815 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18815 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18815 1 5 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18815 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18815 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 18815 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18815 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18815 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18815 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 18815 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18815 1 2 '3D HNCACB' . . . 18815 1 3 '3D HN(CO)CA' . . . 18815 1 4 '3D HNCO' . . . 18815 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 9 9 PRO C C 13 176.9 0.05 . 1 . . . . 1 P C . 18815 1 2 . 1 1 9 9 PRO CA C 13 62.61 0.05 . 1 . . . . 1 P CA . 18815 1 3 . 1 1 9 9 PRO CB C 13 31.33 0.05 . 1 . . . . 1 P CB . 18815 1 4 . 1 1 10 10 ILE H H 1 8.163 0.05 . 1 . . . . 2 I H . 18815 1 5 . 1 1 10 10 ILE C C 13 176.1 0.05 . 1 . . . . 2 I C . 18815 1 6 . 1 1 10 10 ILE CA C 13 60.68 0.05 . 1 . . . . 2 I CA . 18815 1 7 . 1 1 10 10 ILE CB C 13 37.69 0.05 . 1 . . . . 2 I CB . 18815 1 8 . 1 1 10 10 ILE N N 15 121.7 0.05 . 1 . . . . 2 I N . 18815 1 9 . 1 1 11 11 MET H H 1 8.339 0.05 . 1 . . . . 3 M H . 18815 1 10 . 1 1 11 11 MET C C 13 175.7 0.05 . 1 . . . . 3 M C . 18815 1 11 . 1 1 11 11 MET CA C 13 54.53 0.05 . 1 . . . . 3 M CA . 18815 1 12 . 1 1 11 11 MET CB C 13 32.08 0.05 . 1 . . . . 3 M CB . 18815 1 13 . 1 1 11 11 MET N N 15 125.7 0.05 . 1 . . . . 3 M N . 18815 1 14 . 1 1 12 12 ILE H H 1 8.098 0.05 . 1 . . . . 4 I H . 18815 1 15 . 1 1 12 12 ILE C C 13 175.8 0.05 . 1 . . . . 4 I C . 18815 1 16 . 1 1 12 12 ILE CA C 13 60.42 0.05 . 1 . . . . 4 I CA . 18815 1 17 . 1 1 12 12 ILE CB C 13 38.02 0.05 . 1 . . . . 4 I CB . 18815 1 18 . 1 1 12 12 ILE N N 15 123.2 0.05 . 1 . . . . 4 I N . 18815 1 19 . 1 1 13 13 ASP H H 1 8.300 0.05 . 1 . . . . 5 D H . 18815 1 20 . 1 1 13 13 ASP C C 13 176.8 0.05 . 1 . . . . 5 D C . 18815 1 21 . 1 1 13 13 ASP CA C 13 53.93 0.05 . 1 . . . . 5 D CA . 18815 1 22 . 1 1 13 13 ASP CB C 13 40.68 0.05 . 1 . . . . 5 D CB . 18815 1 23 . 1 1 13 13 ASP N N 15 125.1 0.05 . 1 . . . . 5 D N . 18815 1 24 . 1 1 14 14 GLY H H 1 8.259 0.05 . 1 . . . . 6 G H . 18815 1 25 . 1 1 14 14 GLY C C 13 174.3 0.05 . 1 . . . . 6 G C . 18815 1 26 . 1 1 14 14 GLY CA C 13 45.19 0.05 . 1 . . . . 6 G CA . 18815 1 27 . 1 1 14 14 GLY N N 15 110.3 0.05 . 1 . . . . 6 G N . 18815 1 28 . 1 1 15 15 ALA H H 1 8.090 0.05 . 1 . . . . 7 A H . 18815 1 29 . 1 1 15 15 ALA C C 13 178.4 0.05 . 1 . . . . 7 A C . 18815 1 30 . 1 1 15 15 ALA CA C 13 52.32 0.05 . 1 . . . . 7 A CA . 18815 1 31 . 1 1 15 15 ALA CB C 13 18.23 0.05 . 1 . . . . 7 A CB . 18815 1 32 . 1 1 15 15 ALA N N 15 124.1 0.05 . 1 . . . . 7 A N . 18815 1 33 . 1 1 16 16 GLY H H 1 8.245 0.05 . 1 . . . . 8 G H . 18815 1 34 . 1 1 16 16 GLY C C 13 174.1 0.05 . 1 . . . . 8 G C . 18815 1 35 . 1 1 16 16 GLY CA C 13 45.01 0.05 . 1 . . . . 8 G CA . 18815 1 36 . 1 1 16 16 GLY N N 15 108.1 0.05 . 1 . . . . 8 G N . 18815 1 37 . 1 1 17 17 ASN H H 1 8.143 0.05 . 1 . . . . 9 N H . 18815 1 38 . 1 1 17 17 ASN C C 13 175.5 0.05 . 1 . . . . 9 N C . 18815 1 39 . 1 1 17 17 ASN CA C 13 52.84 0.05 . 1 . . . . 9 N CA . 18815 1 40 . 1 1 17 17 ASN CB C 13 38.25 0.05 . 1 . . . . 9 N CB . 18815 1 41 . 1 1 17 17 ASN N N 15 119.3 0.05 . 1 . . . . 9 N N . 18815 1 42 . 1 1 18 18 ARG H H 1 8.249 0.05 . 1 . . . . 10 R H . 18815 1 43 . 1 1 18 18 ARG C C 13 176.0 0.05 . 1 . . . . 10 R C . 18815 1 44 . 1 1 18 18 ARG CA C 13 56.01 0.05 . 1 . . . . 10 R CA . 18815 1 45 . 1 1 18 18 ARG CB C 13 29.47 0.05 . 1 . . . . 10 R CB . 18815 1 46 . 1 1 18 18 ARG N N 15 121.9 0.05 . 1 . . . . 10 R N . 18815 1 47 . 1 1 19 19 ASN H H 1 8.257 0.05 . 1 . . . . 11 N H . 18815 1 48 . 1 1 19 19 ASN C C 13 174.5 0.05 . 1 . . . . 11 N C . 18815 1 49 . 1 1 19 19 ASN CA C 13 52.82 0.05 . 1 . . . . 11 N CA . 18815 1 50 . 1 1 19 19 ASN CB C 13 38.26 0.05 . 1 . . . . 11 N CB . 18815 1 51 . 1 1 19 19 ASN N N 15 119.4 0.05 . 1 . . . . 11 N N . 18815 1 52 . 1 1 20 20 PHE H H 1 7.949 0.05 . 1 . . . . 12 F H . 18815 1 53 . 1 1 20 20 PHE C C 13 175.0 0.05 . 1 . . . . 12 F C . 18815 1 54 . 1 1 20 20 PHE CA C 13 57.31 0.05 . 1 . . . . 12 F CA . 18815 1 55 . 1 1 20 20 PHE CB C 13 38.82 0.05 . 1 . . . . 12 F CB . 18815 1 56 . 1 1 20 20 PHE N N 15 121.3 0.05 . 1 . . . . 12 F N . 18815 1 57 . 1 1 21 21 ARG H H 1 8.002 0.05 . 1 . . . . 13 R H . 18815 1 58 . 1 1 21 21 ARG C C 13 173.5 0.05 . 1 . . . . 13 R C . 18815 1 59 . 1 1 21 21 ARG CA C 13 53.03 0.05 . 1 . . . . 13 R CA . 18815 1 60 . 1 1 21 21 ARG CB C 13 29.47 0.05 . 1 . . . . 13 R CB . 18815 1 61 . 1 1 21 21 ARG N N 15 125.4 0.05 . 1 . . . . 13 R N . 18815 1 62 . 1 1 22 22 PRO C C 13 176.5 0.05 . 1 . . . . 14 P C . 18815 1 63 . 1 1 22 22 PRO CA C 13 62.48 0.05 . 1 . . . . 14 P CA . 18815 1 64 . 1 1 22 22 PRO CB C 13 31.22 0.05 . 1 . . . . 14 P CB . 18815 1 65 . 1 1 23 23 LEU H H 1 8.145 0.05 . 1 . . . . 15 L H . 18815 1 66 . 1 1 23 23 LEU C C 13 176.8 0.05 . 1 . . . . 15 L C . 18815 1 67 . 1 1 23 23 LEU CA C 13 54.65 0.05 . 1 . . . . 15 L CA . 18815 1 68 . 1 1 23 23 LEU CB C 13 41.56 0.05 . 1 . . . . 15 L CB . 18815 1 69 . 1 1 23 23 LEU N N 15 122.5 0.05 . 1 . . . . 15 L N . 18815 1 70 . 1 1 24 24 THR H H 1 8.006 0.05 . 1 . . . . 16 T H . 18815 1 71 . 1 1 24 24 THR C C 13 172.6 0.05 . 1 . . . . 16 T C . 18815 1 72 . 1 1 24 24 THR CA C 13 58.12 0.05 . 1 . . . . 16 T CA . 18815 1 73 . 1 1 24 24 THR CB C 13 69.16 0.05 . 1 . . . . 16 T CB . 18815 1 74 . 1 1 24 24 THR N N 15 116.6 0.05 . 1 . . . . 16 T N . 18815 1 75 . 1 1 25 25 PRO C C 13 176.5 0.05 . 1 . . . . 17 P C . 18815 1 76 . 1 1 25 25 PRO CA C 13 62.07 0.05 . 1 . . . . 17 P CA . 18815 1 77 . 1 1 25 25 PRO CB C 13 31.26 0.05 . 1 . . . . 17 P CB . 18815 1 78 . 1 1 26 26 ARG H H 1 8.354 0.05 . 1 . . . . 18 R H . 18815 1 79 . 1 1 26 26 ARG C C 13 177.1 0.05 . 1 . . . . 18 R C . 18815 1 80 . 1 1 26 26 ARG CA C 13 57.15 0.05 . 1 . . . . 18 R CA . 18815 1 81 . 1 1 26 26 ARG CB C 13 29.01 0.05 . 1 . . . . 18 R CB . 18815 1 82 . 1 1 26 26 ARG N N 15 122.4 0.05 . 1 . . . . 18 R N . 18815 1 83 . 1 1 27 27 GLY H H 1 8.569 0.05 . 1 . . . . 19 G H . 18815 1 84 . 1 1 27 27 GLY C C 13 175.0 0.05 . 1 . . . . 19 G C . 18815 1 85 . 1 1 27 27 GLY CA C 13 45.44 0.05 . 1 . . . . 19 G CA . 18815 1 86 . 1 1 27 27 GLY N N 15 110.8 0.05 . 1 . . . . 19 G N . 18815 1 87 . 1 1 28 28 TYR H H 1 7.964 0.05 . 1 . . . . 20 Y H . 18815 1 88 . 1 1 28 28 TYR C C 13 176.6 0.05 . 1 . . . . 20 Y C . 18815 1 89 . 1 1 28 28 TYR CA C 13 61.84 0.05 . 1 . . . . 20 Y CA . 18815 1 90 . 1 1 28 28 TYR CB C 13 38.27 0.05 . 1 . . . . 20 Y CB . 18815 1 91 . 1 1 28 28 TYR N N 15 120.9 0.05 . 1 . . . . 20 Y N . 18815 1 92 . 1 1 29 29 THR H H 1 8.455 0.05 . 1 . . . . 21 T H . 18815 1 93 . 1 1 29 29 THR C C 13 176.4 0.05 . 1 . . . . 21 T C . 18815 1 94 . 1 1 29 29 THR CA C 13 66.13 0.05 . 1 . . . . 21 T CA . 18815 1 95 . 1 1 29 29 THR CB C 13 67.73 0.05 . 1 . . . . 21 T CB . 18815 1 96 . 1 1 29 29 THR N N 15 113.5 0.05 . 1 . . . . 21 T N . 18815 1 97 . 1 1 30 30 THR H H 1 7.647 0.05 . 1 . . . . 22 T H . 18815 1 98 . 1 1 30 30 THR C C 13 177.1 0.05 . 1 . . . . 22 T C . 18815 1 99 . 1 1 30 30 THR CA C 13 65.73 0.05 . 1 . . . . 22 T CA . 18815 1 100 . 1 1 30 30 THR CB C 13 68.00 0.05 . 1 . . . . 22 T CB . 18815 1 101 . 1 1 30 30 THR N N 15 119.3 0.05 . 1 . . . . 22 T N . 18815 1 102 . 1 1 31 31 TRP H H 1 8.423 0.05 . 1 . . . . 23 W H . 18815 1 103 . 1 1 31 31 TRP C C 13 176.0 0.05 . 1 . . . . 23 W C . 18815 1 104 . 1 1 31 31 TRP CA C 13 59.71 0.05 . 1 . . . . 23 W CA . 18815 1 105 . 1 1 31 31 TRP CB C 13 28.85 0.05 . 1 . . . . 23 W CB . 18815 1 106 . 1 1 31 31 TRP N N 15 126.2 0.05 . 1 . . . . 23 W N . 18815 1 107 . 1 1 32 32 VAL H H 1 8.460 0.05 . 1 . . . . 24 V H . 18815 1 108 . 1 1 32 32 VAL C C 13 178.3 0.05 . 1 . . . . 24 V C . 18815 1 109 . 1 1 32 32 VAL CA C 13 66.69 0.05 . 1 . . . . 24 V CA . 18815 1 110 . 1 1 32 32 VAL CB C 13 30.66 0.05 . 1 . . . . 24 V CB . 18815 1 111 . 1 1 32 32 VAL N N 15 118.1 0.05 . 1 . . . . 24 V N . 18815 1 112 . 1 1 33 33 ASN H H 1 7.928 0.05 . 1 . . . . 25 N H . 18815 1 113 . 1 1 33 33 ASN C C 13 178.2 0.05 . 1 . . . . 25 N C . 18815 1 114 . 1 1 33 33 ASN CA C 13 56.02 0.05 . 1 . . . . 25 N CA . 18815 1 115 . 1 1 33 33 ASN CB C 13 37.75 0.05 . 1 . . . . 25 N CB . 18815 1 116 . 1 1 33 33 ASN N N 15 117.2 0.05 . 1 . . . . 25 N N . 18815 1 117 . 1 1 34 34 THR H H 1 8.017 0.05 . 1 . . . . 26 T H . 18815 1 118 . 1 1 34 34 THR C C 13 176.3 0.05 . 1 . . . . 26 T C . 18815 1 119 . 1 1 34 34 THR CA C 13 66.94 0.05 . 1 . . . . 26 T CA . 18815 1 120 . 1 1 34 34 THR CB C 13 67.72 0.05 . 1 . . . . 26 T CB . 18815 1 121 . 1 1 34 34 THR N N 15 118.9 0.05 . 1 . . . . 26 T N . 18815 1 122 . 1 1 35 35 ILE H H 1 8.038 0.05 . 1 . . . . 27 I H . 18815 1 123 . 1 1 35 35 ILE C C 13 179.4 0.05 . 1 . . . . 27 I C . 18815 1 124 . 1 1 35 35 ILE CA C 13 62.43 0.05 . 1 . . . . 27 I CA . 18815 1 125 . 1 1 35 35 ILE CB C 13 35.17 0.05 . 1 . . . . 27 I CB . 18815 1 126 . 1 1 35 35 ILE N N 15 122.1 0.05 . 1 . . . . 27 I N . 18815 1 127 . 1 1 36 36 GLN H H 1 8.126 0.05 . 1 . . . . 28 Q H . 18815 1 128 . 1 1 36 36 GLN C C 13 177.7 0.05 . 1 . . . . 28 Q C . 18815 1 129 . 1 1 36 36 GLN CA C 13 58.50 0.05 . 1 . . . . 28 Q CA . 18815 1 130 . 1 1 36 36 GLN CB C 13 27.67 0.05 . 1 . . . . 28 Q CB . 18815 1 131 . 1 1 36 36 GLN N N 15 120.9 0.05 . 1 . . . . 28 Q N . 18815 1 132 . 1 1 37 37 THR H H 1 7.440 0.05 . 1 . . . . 29 T H . 18815 1 133 . 1 1 37 37 THR C C 13 175.4 0.05 . 1 . . . . 29 T C . 18815 1 134 . 1 1 37 37 THR CA C 13 64.62 0.05 . 1 . . . . 29 T CA . 18815 1 135 . 1 1 37 37 THR CB C 13 69.13 0.05 . 1 . . . . 29 T CB . 18815 1 136 . 1 1 37 37 THR N N 15 111.8 0.05 . 1 . . . . 29 T N . 18815 1 137 . 1 1 38 38 ASN H H 1 8.074 0.05 . 1 . . . . 30 N H . 18815 1 138 . 1 1 38 38 ASN C C 13 175.5 0.05 . 1 . . . . 30 N C . 18815 1 139 . 1 1 38 38 ASN CA C 13 54.21 0.05 . 1 . . . . 30 N CA . 18815 1 140 . 1 1 38 38 ASN CB C 13 40.60 0.05 . 1 . . . . 30 N CB . 18815 1 141 . 1 1 38 38 ASN N N 15 117.0 0.05 . 1 . . . . 30 N N . 18815 1 142 . 1 1 39 39 GLY H H 1 7.660 0.05 . 1 . . . . 31 G H . 18815 1 143 . 1 1 39 39 GLY C C 13 172.3 0.05 . 1 . . . . 31 G C . 18815 1 144 . 1 1 39 39 GLY CA C 13 43.42 0.05 . 1 . . . . 31 G CA . 18815 1 145 . 1 1 39 39 GLY N N 15 109.0 0.05 . 1 . . . . 31 G N . 18815 1 146 . 1 1 40 40 LEU H H 1 7.942 0.05 . 1 . . . . 32 L H . 18815 1 147 . 1 1 40 40 LEU C C 13 175.7 0.05 . 1 . . . . 32 L C . 18815 1 148 . 1 1 40 40 LEU CA C 13 57.02 0.05 . 1 . . . . 32 L CA . 18815 1 149 . 1 1 40 40 LEU CB C 13 42.73 0.05 . 1 . . . . 32 L CB . 18815 1 150 . 1 1 40 40 LEU N N 15 121.3 0.05 . 1 . . . . 32 L N . 18815 1 151 . 1 1 41 41 LEU H H 1 8.034 0.05 . 1 . . . . 33 L H . 18815 1 152 . 1 1 41 41 LEU C C 13 174.5 0.05 . 1 . . . . 33 L C . 18815 1 153 . 1 1 41 41 LEU CA C 13 51.41 0.05 . 1 . . . . 33 L CA . 18815 1 154 . 1 1 41 41 LEU CB C 13 38.29 0.05 . 1 . . . . 33 L CB . 18815 1 155 . 1 1 41 41 LEU N N 15 115.2 0.05 . 1 . . . . 33 L N . 18815 1 156 . 1 1 42 42 ASN H H 1 7.504 0.05 . 1 . . . . 34 N H . 18815 1 157 . 1 1 42 42 ASN C C 13 174.5 0.05 . 1 . . . . 34 N C . 18815 1 158 . 1 1 42 42 ASN CA C 13 52.59 0.05 . 1 . . . . 34 N CA . 18815 1 159 . 1 1 42 42 ASN CB C 13 42.77 0.05 . 1 . . . . 34 N CB . 18815 1 160 . 1 1 42 42 ASN N N 15 120.0 0.05 . 1 . . . . 34 N N . 18815 1 161 . 1 1 43 43 GLU H H 1 9.638 0.05 . 1 . . . . 35 E H . 18815 1 162 . 1 1 43 43 GLU C C 13 177.3 0.05 . 1 . . . . 35 E C . 18815 1 163 . 1 1 43 43 GLU CA C 13 60.10 0.05 . 1 . . . . 35 E CA . 18815 1 164 . 1 1 43 43 GLU CB C 13 28.77 0.05 . 1 . . . . 35 E CB . 18815 1 165 . 1 1 43 43 GLU N N 15 127.3 0.05 . 1 . . . . 35 E N . 18815 1 166 . 1 1 44 44 ALA H H 1 8.447 0.05 . 1 . . . . 36 A H . 18815 1 167 . 1 1 44 44 ALA C C 13 181.6 0.05 . 1 . . . . 36 A C . 18815 1 168 . 1 1 44 44 ALA CA C 13 54.93 0.05 . 1 . . . . 36 A CA . 18815 1 169 . 1 1 44 44 ALA CB C 13 17.03 0.05 . 1 . . . . 36 A CB . 18815 1 170 . 1 1 44 44 ALA N N 15 122.9 0.05 . 1 . . . . 36 A N . 18815 1 171 . 1 1 45 45 SER H H 1 7.481 0.05 . 1 . . . . 37 S H . 18815 1 172 . 1 1 45 45 SER C C 13 174.4 0.05 . 1 . . . . 37 S C . 18815 1 173 . 1 1 45 45 SER N N 15 118.2 0.05 . 1 . . . . 37 S N . 18815 1 174 . 1 1 46 46 GLN H H 1 8.269 0.05 . 1 . . . . 38 Q H . 18815 1 175 . 1 1 46 46 GLN C C 13 178.1 0.05 . 1 . . . . 38 Q C . 18815 1 176 . 1 1 46 46 GLN CA C 13 58.49 0.05 . 1 . . . . 38 Q CA . 18815 1 177 . 1 1 46 46 GLN CB C 13 28.78 0.05 . 1 . . . . 38 Q CB . 18815 1 178 . 1 1 46 46 GLN N N 15 124.1 0.05 . 1 . . . . 38 Q N . 18815 1 179 . 1 1 47 47 ASN H H 1 8.599 0.05 . 1 . . . . 39 N H . 18815 1 180 . 1 1 47 47 ASN C C 13 178.2 0.05 . 1 . . . . 39 N C . 18815 1 181 . 1 1 47 47 ASN CA C 13 55.74 0.05 . 1 . . . . 39 N CA . 18815 1 182 . 1 1 47 47 ASN CB C 13 37.82 0.05 . 1 . . . . 39 N CB . 18815 1 183 . 1 1 47 47 ASN N N 15 119.5 0.05 . 1 . . . . 39 N N . 18815 1 184 . 1 1 48 48 LEU H H 1 7.871 0.05 . 1 . . . . 40 L H . 18815 1 185 . 1 1 48 48 LEU C C 13 178.3 0.05 . 1 . . . . 40 L C . 18815 1 186 . 1 1 48 48 LEU CA C 13 57.35 0.05 . 1 . . . . 40 L CA . 18815 1 187 . 1 1 48 48 LEU CB C 13 40.58 0.05 . 1 . . . . 40 L CB . 18815 1 188 . 1 1 48 48 LEU N N 15 120.9 0.05 . 1 . . . . 40 L N . 18815 1 189 . 1 1 49 49 PHE H H 1 8.956 0.05 . 1 . . . . 41 F H . 18815 1 190 . 1 1 49 49 PHE C C 13 179.2 0.05 . 1 . . . . 41 F C . 18815 1 191 . 1 1 49 49 PHE CA C 13 62.10 0.05 . 1 . . . . 41 F CA . 18815 1 192 . 1 1 49 49 PHE CB C 13 37.76 0.05 . 1 . . . . 41 F CB . 18815 1 193 . 1 1 49 49 PHE N N 15 120.2 0.05 . 1 . . . . 41 F N . 18815 1 194 . 1 1 50 50 GLY H H 1 8.439 0.05 . 1 . . . . 42 G H . 18815 1 195 . 1 1 50 50 GLY C C 13 175.2 0.05 . 1 . . . . 42 G C . 18815 1 196 . 1 1 50 50 GLY CA C 13 47.17 0.05 . 1 . . . . 42 G CA . 18815 1 197 . 1 1 50 50 GLY N N 15 107.8 0.05 . 1 . . . . 42 G N . 18815 1 198 . 1 1 51 51 ILE H H 1 7.292 0.05 . 1 . . . . 43 I H . 18815 1 199 . 1 1 51 51 ILE C C 13 178.6 0.05 . 1 . . . . 43 I C . 18815 1 200 . 1 1 51 51 ILE CA C 13 63.63 0.05 . 1 . . . . 43 I CA . 18815 1 201 . 1 1 51 51 ILE CB C 13 38.10 0.05 . 1 . . . . 43 I CB . 18815 1 202 . 1 1 51 51 ILE N N 15 120.9 0.05 . 1 . . . . 43 I N . 18815 1 203 . 1 1 52 52 LEU H H 1 8.193 0.05 . 1 . . . . 44 L H . 18815 1 204 . 1 1 52 52 LEU C C 13 173.8 0.05 . 1 . . . . 44 L C . 18815 1 205 . 1 1 52 52 LEU CA C 13 56.22 0.05 . 1 . . . . 44 L CA . 18815 1 206 . 1 1 52 52 LEU CB C 13 41.28 0.05 . 1 . . . . 44 L CB . 18815 1 207 . 1 1 52 52 LEU N N 15 118.2 0.05 . 1 . . . . 44 L N . 18815 1 208 . 1 1 53 53 SER H H 1 7.429 0.05 . 1 . . . . 45 S H . 18815 1 209 . 1 1 53 53 SER C C 13 173.8 0.05 . 1 . . . . 45 S C . 18815 1 210 . 1 1 53 53 SER N N 15 118.8 0.05 . 1 . . . . 45 S N . 18815 1 211 . 1 1 56 56 CYS C C 13 176.1 0.05 . 1 . . . . 48 C C . 18815 1 212 . 1 1 56 56 CYS CA C 13 60.25 0.05 . 1 . . . . 48 C CA . 18815 1 213 . 1 1 56 56 CYS CB C 13 28.80 0.05 . 1 . . . . 48 C CB . 18815 1 214 . 1 1 57 57 THR H H 1 9.026 0.05 . 1 . . . . 49 T H . 18815 1 215 . 1 1 57 57 THR C C 13 176.0 0.05 . 1 . . . . 49 T C . 18815 1 216 . 1 1 57 57 THR CA C 13 61.59 0.05 . 1 . . . . 49 T CA . 18815 1 217 . 1 1 57 57 THR CB C 13 68.89 0.05 . 1 . . . . 49 T CB . 18815 1 218 . 1 1 57 57 THR N N 15 111.3 0.05 . 1 . . . . 49 T N . 18815 1 219 . 1 1 58 58 SER H H 1 7.195 0.05 . 1 . . . . 50 S H . 18815 1 220 . 1 1 58 58 SER C C 13 175.6 0.05 . 1 . . . . 50 S C . 18815 1 221 . 1 1 58 58 SER CA C 13 63.98 0.05 . 1 . . . . 50 S CA . 18815 1 222 . 1 1 58 58 SER N N 15 118.5 0.05 . 1 . . . . 50 S N . 18815 1 223 . 1 1 59 59 GLU H H 1 9.187 0.05 . 1 . . . . 51 E H . 18815 1 224 . 1 1 59 59 GLU C C 13 179.7 0.05 . 1 . . . . 51 E C . 18815 1 225 . 1 1 59 59 GLU CA C 13 59.07 0.05 . 1 . . . . 51 E CA . 18815 1 226 . 1 1 59 59 GLU CB C 13 28.71 0.05 . 1 . . . . 51 E CB . 18815 1 227 . 1 1 59 59 GLU N N 15 123.9 0.05 . 1 . . . . 51 E N . 18815 1 228 . 1 1 60 60 GLU H H 1 7.848 0.05 . 1 . . . . 52 E H . 18815 1 229 . 1 1 60 60 GLU C C 13 178.7 0.05 . 1 . . . . 52 E C . 18815 1 230 . 1 1 60 60 GLU CA C 13 58.85 0.05 . 1 . . . . 52 E CA . 18815 1 231 . 1 1 60 60 GLU CB C 13 28.94 0.05 . 1 . . . . 52 E CB . 18815 1 232 . 1 1 60 60 GLU N N 15 120.6 0.05 . 1 . . . . 52 E N . 18815 1 233 . 1 1 61 61 MET H H 1 7.984 0.05 . 1 . . . . 53 M H . 18815 1 234 . 1 1 61 61 MET C C 13 178.2 0.05 . 1 . . . . 53 M C . 18815 1 235 . 1 1 61 61 MET CA C 13 60.84 0.05 . 1 . . . . 53 M CA . 18815 1 236 . 1 1 61 61 MET CB C 13 32.36 0.05 . 1 . . . . 53 M CB . 18815 1 237 . 1 1 61 61 MET N N 15 118.5 0.05 . 1 . . . . 53 M N . 18815 1 238 . 1 1 62 62 ASN H H 1 8.460 0.05 . 1 . . . . 54 N H . 18815 1 239 . 1 1 62 62 ASN C C 13 177.7 0.05 . 1 . . . . 54 N C . 18815 1 240 . 1 1 62 62 ASN CA C 13 55.91 0.05 . 1 . . . . 54 N CA . 18815 1 241 . 1 1 62 62 ASN CB C 13 36.97 0.05 . 1 . . . . 54 N CB . 18815 1 242 . 1 1 62 62 ASN N N 15 117.3 0.05 . 1 . . . . 54 N N . 18815 1 243 . 1 1 63 63 ALA H H 1 7.771 0.05 . 1 . . . . 55 A H . 18815 1 244 . 1 1 63 63 ALA C C 13 180.9 0.05 . 1 . . . . 55 A C . 18815 1 245 . 1 1 63 63 ALA CA C 13 54.82 0.05 . 1 . . . . 55 A CA . 18815 1 246 . 1 1 63 63 ALA CB C 13 16.39 0.05 . 1 . . . . 55 A CB . 18815 1 247 . 1 1 63 63 ALA N N 15 124.3 0.05 . 1 . . . . 55 A N . 18815 1 248 . 1 1 64 64 PHE H H 1 7.658 0.05 . 1 . . . . 56 F H . 18815 1 249 . 1 1 64 64 PHE C C 13 179.1 0.05 . 1 . . . . 56 F C . 18815 1 250 . 1 1 64 64 PHE CA C 13 61.47 0.05 . 1 . . . . 56 F CA . 18815 1 251 . 1 1 64 64 PHE CB C 13 36.82 0.05 . 1 . . . . 56 F CB . 18815 1 252 . 1 1 64 64 PHE N N 15 117.0 0.05 . 1 . . . . 56 F N . 18815 1 253 . 1 1 65 65 LEU H H 1 7.543 0.05 . 1 . . . . 57 L H . 18815 1 254 . 1 1 65 65 LEU C C 13 178.4 0.05 . 1 . . . . 57 L C . 18815 1 255 . 1 1 65 65 LEU CA C 13 56.76 0.05 . 1 . . . . 57 L CA . 18815 1 256 . 1 1 65 65 LEU CB C 13 40.09 0.05 . 1 . . . . 57 L CB . 18815 1 257 . 1 1 65 65 LEU N N 15 117.6 0.05 . 1 . . . . 57 L N . 18815 1 258 . 1 1 66 66 ASP H H 1 8.101 0.05 . 1 . . . . 58 D H . 18815 1 259 . 1 1 66 66 ASP C C 13 177.7 0.05 . 1 . . . . 58 D C . 18815 1 260 . 1 1 66 66 ASP CA C 13 55.81 0.05 . 1 . . . . 58 D CA . 18815 1 261 . 1 1 66 66 ASP CB C 13 40.48 0.05 . 1 . . . . 58 D CB . 18815 1 262 . 1 1 66 66 ASP N N 15 118.3 0.05 . 1 . . . . 58 D N . 18815 1 263 . 1 1 67 67 VAL H H 1 7.353 0.05 . 1 . . . . 59 V H . 18815 1 264 . 1 1 67 67 VAL C C 13 175.6 0.05 . 1 . . . . 59 V C . 18815 1 265 . 1 1 67 67 VAL CA C 13 61.92 0.05 . 1 . . . . 59 V CA . 18815 1 266 . 1 1 67 67 VAL CB C 13 31.44 0.05 . 1 . . . . 59 V CB . 18815 1 267 . 1 1 67 67 VAL N N 15 114.4 0.05 . 1 . . . . 59 V N . 18815 1 268 . 1 1 68 68 VAL H H 1 7.347 0.05 . 1 . . . . 60 V H . 18815 1 269 . 1 1 68 68 VAL C C 13 174.3 0.05 . 1 . . . . 60 V C . 18815 1 270 . 1 1 68 68 VAL CA C 13 60.00 0.05 . 1 . . . . 60 V CA . 18815 1 271 . 1 1 68 68 VAL CB C 13 31.55 0.05 . 1 . . . . 60 V CB . 18815 1 272 . 1 1 68 68 VAL N N 15 122.6 0.05 . 1 . . . . 60 V N . 18815 1 273 . 1 1 69 69 PRO C C 13 177.0 0.05 . 1 . . . . 61 P C . 18815 1 274 . 1 1 69 69 PRO CA C 13 61.94 0.05 . 1 . . . . 61 P CA . 18815 1 275 . 1 1 69 69 PRO CB C 13 31.09 0.05 . 1 . . . . 61 P CB . 18815 1 276 . 1 1 70 70 GLY H H 1 8.406 0.05 . 1 . . . . 62 G H . 18815 1 277 . 1 1 70 70 GLY C C 13 174.6 0.05 . 1 . . . . 62 G C . 18815 1 278 . 1 1 70 70 GLY CA C 13 46.07 0.05 . 1 . . . . 62 G CA . 18815 1 279 . 1 1 70 70 GLY N N 15 109.4 0.05 . 1 . . . . 62 G N . 18815 1 280 . 1 1 71 71 GLN H H 1 8.240 0.05 . 1 . . . . 63 Q H . 18815 1 281 . 1 1 71 71 GLN C C 13 176.2 0.05 . 1 . . . . 63 Q C . 18815 1 282 . 1 1 71 71 GLN CA C 13 55.44 0.05 . 1 . . . . 63 Q CA . 18815 1 283 . 1 1 71 71 GLN CB C 13 26.88 0.05 . 1 . . . . 63 Q CB . 18815 1 284 . 1 1 71 71 GLN N N 15 118.5 0.05 . 1 . . . . 63 Q N . 18815 1 285 . 1 1 72 72 ALA H H 1 8.190 0.05 . 1 . . . . 64 A H . 18815 1 286 . 1 1 72 72 ALA C C 13 179.6 0.05 . 1 . . . . 64 A C . 18815 1 287 . 1 1 72 72 ALA CA C 13 53.99 0.05 . 1 . . . . 64 A CA . 18815 1 288 . 1 1 72 72 ALA CB C 13 17.83 0.05 . 1 . . . . 64 A CB . 18815 1 289 . 1 1 72 72 ALA N N 15 122.9 0.05 . 1 . . . . 64 A N . 18815 1 290 . 1 1 73 73 GLY H H 1 8.506 0.05 . 1 . . . . 65 G H . 18815 1 291 . 1 1 73 73 GLY C C 13 176.4 0.05 . 1 . . . . 65 G C . 18815 1 292 . 1 1 73 73 GLY CA C 13 46.24 0.05 . 1 . . . . 65 G CA . 18815 1 293 . 1 1 73 73 GLY N N 15 108.2 0.05 . 1 . . . . 65 G N . 18815 1 294 . 1 1 74 74 GLN H H 1 7.998 0.05 . 1 . . . . 66 Q H . 18815 1 295 . 1 1 74 74 GLN C C 13 177.7 0.05 . 1 . . . . 66 Q C . 18815 1 296 . 1 1 74 74 GLN CA C 13 59.42 0.05 . 1 . . . . 66 Q CA . 18815 1 297 . 1 1 74 74 GLN CB C 13 27.90 0.05 . 1 . . . . 66 Q CB . 18815 1 298 . 1 1 74 74 GLN N N 15 121.0 0.05 . 1 . . . . 66 Q N . 18815 1 299 . 1 1 75 75 LYS H H 1 8.090 0.05 . 1 . . . . 67 K H . 18815 1 300 . 1 1 75 75 LYS C C 13 177.6 0.05 . 1 . . . . 67 K C . 18815 1 301 . 1 1 75 75 LYS CA C 13 59.27 0.05 . 1 . . . . 67 K CA . 18815 1 302 . 1 1 75 75 LYS CB C 13 31.38 0.05 . 1 . . . . 67 K CB . 18815 1 303 . 1 1 75 75 LYS N N 15 119.3 0.05 . 1 . . . . 67 K N . 18815 1 304 . 1 1 76 76 GLN H H 1 7.744 0.05 . 1 . . . . 68 Q H . 18815 1 305 . 1 1 76 76 GLN C C 13 177.7 0.05 . 1 . . . . 68 Q C . 18815 1 306 . 1 1 76 76 GLN CA C 13 58.14 0.05 . 1 . . . . 68 Q CA . 18815 1 307 . 1 1 76 76 GLN CB C 13 27.38 0.05 . 1 . . . . 68 Q CB . 18815 1 308 . 1 1 76 76 GLN N N 15 118.5 0.05 . 1 . . . . 68 Q N . 18815 1 309 . 1 1 77 77 ILE H H 1 7.357 0.05 . 1 . . . . 69 I H . 18815 1 310 . 1 1 77 77 ILE C C 13 179.1 0.05 . 1 . . . . 69 I C . 18815 1 311 . 1 1 77 77 ILE CA C 13 64.38 0.05 . 1 . . . . 69 I CA . 18815 1 312 . 1 1 77 77 ILE CB C 13 37.34 0.05 . 1 . . . . 69 I CB . 18815 1 313 . 1 1 77 77 ILE N N 15 119.1 0.05 . 1 . . . . 69 I N . 18815 1 314 . 1 1 78 78 LEU H H 1 7.684 0.05 . 1 . . . . 70 L H . 18815 1 315 . 1 1 78 78 LEU C C 13 178.0 0.05 . 1 . . . . 70 L C . 18815 1 316 . 1 1 78 78 LEU CA C 13 57.85 0.05 . 1 . . . . 70 L CA . 18815 1 317 . 1 1 78 78 LEU CB C 13 40.70 0.05 . 1 . . . . 70 L CB . 18815 1 318 . 1 1 78 78 LEU N N 15 121.0 0.05 . 1 . . . . 70 L N . 18815 1 319 . 1 1 79 79 LEU H H 1 8.637 0.05 . 1 . . . . 71 L H . 18815 1 320 . 1 1 79 79 LEU C C 13 179.6 0.05 . 1 . . . . 71 L C . 18815 1 321 . 1 1 79 79 LEU CA C 13 57.83 0.05 . 1 . . . . 71 L CA . 18815 1 322 . 1 1 79 79 LEU CB C 13 39.45 0.05 . 1 . . . . 71 L CB . 18815 1 323 . 1 1 79 79 LEU N N 15 119.8 0.05 . 1 . . . . 71 L N . 18815 1 324 . 1 1 80 80 ASP H H 1 8.551 0.05 . 1 . . . . 72 D H . 18815 1 325 . 1 1 80 80 ASP C C 13 178.9 0.05 . 1 . . . . 72 D C . 18815 1 326 . 1 1 80 80 ASP CA C 13 56.91 0.05 . 1 . . . . 72 D CA . 18815 1 327 . 1 1 80 80 ASP CB C 13 39.43 0.05 . 1 . . . . 72 D CB . 18815 1 328 . 1 1 80 80 ASP N N 15 120.1 0.05 . 1 . . . . 72 D N . 18815 1 329 . 1 1 81 81 ALA H H 1 7.673 0.05 . 1 . . . . 73 A H . 18815 1 330 . 1 1 81 81 ALA C C 13 180.8 0.05 . 1 . . . . 73 A C . 18815 1 331 . 1 1 81 81 ALA CA C 13 54.67 0.05 . 1 . . . . 73 A CA . 18815 1 332 . 1 1 81 81 ALA CB C 13 17.22 0.05 . 1 . . . . 73 A CB . 18815 1 333 . 1 1 81 81 ALA N N 15 123.5 0.05 . 1 . . . . 73 A N . 18815 1 334 . 1 1 82 82 ILE H H 1 8.327 0.05 . 1 . . . . 74 I H . 18815 1 335 . 1 1 82 82 ILE C C 13 177.3 0.05 . 1 . . . . 74 I C . 18815 1 336 . 1 1 82 82 ILE CA C 13 65.73 0.05 . 1 . . . . 74 I CA . 18815 1 337 . 1 1 82 82 ILE CB C 13 37.05 0.05 . 1 . . . . 74 I CB . 18815 1 338 . 1 1 82 82 ILE N N 15 121.2 0.05 . 1 . . . . 74 I N . 18815 1 339 . 1 1 83 83 ASP H H 1 8.427 0.05 . 1 . . . . 75 D H . 18815 1 340 . 1 1 83 83 ASP C C 13 178.2 0.05 . 1 . . . . 75 D C . 18815 1 341 . 1 1 83 83 ASP CA C 13 57.20 0.05 . 1 . . . . 75 D CA . 18815 1 342 . 1 1 83 83 ASP CB C 13 39.22 0.05 . 1 . . . . 75 D CB . 18815 1 343 . 1 1 83 83 ASP N N 15 120.3 0.05 . 1 . . . . 75 D N . 18815 1 344 . 1 1 84 84 LYS H H 1 7.411 0.05 . 1 . . . . 76 K H . 18815 1 345 . 1 1 84 84 LYS C C 13 179.4 0.05 . 1 . . . . 76 K C . 18815 1 346 . 1 1 84 84 LYS CA C 13 59.09 0.05 . 1 . . . . 76 K CA . 18815 1 347 . 1 1 84 84 LYS CB C 13 31.26 0.05 . 1 . . . . 76 K CB . 18815 1 348 . 1 1 84 84 LYS N N 15 119.6 0.05 . 1 . . . . 76 K N . 18815 1 349 . 1 1 85 85 ILE H H 1 7.216 0.05 . 1 . . . . 77 I H . 18815 1 350 . 1 1 85 85 ILE C C 13 178.4 0.05 . 1 . . . . 77 I C . 18815 1 351 . 1 1 85 85 ILE CA C 13 64.77 0.05 . 1 . . . . 77 I CA . 18815 1 352 . 1 1 85 85 ILE CB C 13 37.92 0.05 . 1 . . . . 77 I CB . 18815 1 353 . 1 1 85 85 ILE N N 15 123.6 0.05 . 1 . . . . 77 I N . 18815 1 354 . 1 1 86 86 ALA H H 1 8.401 0.05 . 1 . . . . 78 A H . 18815 1 355 . 1 1 86 86 ALA C C 13 178.9 0.05 . 1 . . . . 78 A C . 18815 1 356 . 1 1 86 86 ALA CA C 13 53.96 0.05 . 1 . . . . 78 A CA . 18815 1 357 . 1 1 86 86 ALA CB C 13 18.61 0.05 . 1 . . . . 78 A CB . 18815 1 358 . 1 1 86 86 ALA N N 15 125.1 0.05 . 1 . . . . 78 A N . 18815 1 359 . 1 1 87 87 ASP H H 1 8.292 0.05 . 1 . . . . 79 D H . 18815 1 360 . 1 1 87 87 ASP C C 13 179.2 0.05 . 1 . . . . 79 D C . 18815 1 361 . 1 1 87 87 ASP CA C 13 56.88 0.05 . 1 . . . . 79 D CA . 18815 1 362 . 1 1 87 87 ASP CB C 13 39.51 0.05 . 1 . . . . 79 D CB . 18815 1 363 . 1 1 87 87 ASP N N 15 119.0 0.05 . 1 . . . . 79 D N . 18815 1 364 . 1 1 88 88 ASP H H 1 7.622 0.05 . 1 . . . . 80 D H . 18815 1 365 . 1 1 88 88 ASP C C 13 177.9 0.05 . 1 . . . . 80 D C . 18815 1 366 . 1 1 88 88 ASP CA C 13 57.17 0.05 . 1 . . . . 80 D CA . 18815 1 367 . 1 1 88 88 ASP CB C 13 40.83 0.05 . 1 . . . . 80 D CB . 18815 1 368 . 1 1 88 88 ASP N N 15 121.2 0.05 . 1 . . . . 80 D N . 18815 1 369 . 1 1 89 89 TRP H H 1 8.351 0.05 . 1 . . . . 81 W H . 18815 1 370 . 1 1 89 89 TRP C C 13 180.2 0.05 . 1 . . . . 81 W C . 18815 1 371 . 1 1 89 89 TRP N N 15 121.5 0.05 . 1 . . . . 81 W N . 18815 1 372 . 1 1 90 90 ASP H H 1 8.439 0.05 . 1 . . . . 82 D H . 18815 1 373 . 1 1 90 90 ASP C C 13 178.8 0.05 . 1 . . . . 82 D C . 18815 1 374 . 1 1 90 90 ASP N N 15 120.7 0.05 . 1 . . . . 82 D N . 18815 1 375 . 1 1 91 91 ASN H H 1 8.091 0.05 . 1 . . . . 83 N H . 18815 1 376 . 1 1 91 91 ASN C C 13 177.2 0.05 . 1 . . . . 83 N C . 18815 1 377 . 1 1 91 91 ASN CA C 13 55.62 0.05 . 1 . . . . 83 N CA . 18815 1 378 . 1 1 91 91 ASN CB C 13 38.12 0.05 . 1 . . . . 83 N CB . 18815 1 379 . 1 1 91 91 ASN N N 15 119.4 0.05 . 1 . . . . 83 N N . 18815 1 380 . 1 1 92 92 ARG H H 1 7.530 0.05 . 1 . . . . 84 R H . 18815 1 381 . 1 1 92 92 ARG C C 13 175.5 0.05 . 1 . . . . 84 R C . 18815 1 382 . 1 1 92 92 ARG CA C 13 56.24 0.05 . 1 . . . . 84 R CA . 18815 1 383 . 1 1 92 92 ARG CB C 13 29.78 0.05 . 1 . . . . 84 R CB . 18815 1 384 . 1 1 92 92 ARG N N 15 116.8 0.05 . 1 . . . . 84 R N . 18815 1 385 . 1 1 93 93 HIS H H 1 7.523 0.05 . 1 . . . . 85 H H . 18815 1 386 . 1 1 93 93 HIS C C 13 179.7 0.05 . 1 . . . . 85 H C . 18815 1 387 . 1 1 93 93 HIS CA C 13 52.47 0.05 . 1 . . . . 85 H CA . 18815 1 388 . 1 1 93 93 HIS CB C 13 26.74 0.05 . 1 . . . . 85 H CB . 18815 1 389 . 1 1 93 93 HIS N N 15 118.0 0.05 . 1 . . . . 85 H N . 18815 1 390 . 1 1 94 94 PRO C C 13 177.9 0.05 . 1 . . . . 86 P C . 18815 1 391 . 1 1 94 94 PRO CA C 13 63.48 0.05 . 1 . . . . 86 P CA . 18815 1 392 . 1 1 94 94 PRO CB C 13 31.34 0.05 . 1 . . . . 86 P CB . 18815 1 393 . 1 1 95 95 LEU H H 1 8.385 0.05 . 1 . . . . 87 L H . 18815 1 394 . 1 1 95 95 LEU C C 13 174.2 0.05 . 1 . . . . 87 L C . 18815 1 395 . 1 1 95 95 LEU CA C 13 52.15 0.05 . 1 . . . . 87 L CA . 18815 1 396 . 1 1 95 95 LEU CB C 13 42.22 0.05 . 1 . . . . 87 L CB . 18815 1 397 . 1 1 95 95 LEU N N 15 125.5 0.05 . 1 . . . . 87 L N . 18815 1 398 . 1 1 96 96 PRO C C 13 177.1 0.05 . 1 . . . . 88 P C . 18815 1 399 . 1 1 96 96 PRO CA C 13 63.25 0.05 . 1 . . . . 88 P CA . 18815 1 400 . 1 1 96 96 PRO CB C 13 31.17 0.05 . 1 . . . . 88 P CB . 18815 1 401 . 1 1 97 97 ASN H H 1 8.665 0.05 . 1 . . . . 89 N H . 18815 1 402 . 1 1 97 97 ASN C C 13 174.7 0.05 . 1 . . . . 89 N C . 18815 1 403 . 1 1 97 97 ASN CA C 13 52.68 0.05 . 1 . . . . 89 N CA . 18815 1 404 . 1 1 97 97 ASN CB C 13 37.32 0.05 . 1 . . . . 89 N CB . 18815 1 405 . 1 1 97 97 ASN N N 15 116.7 0.05 . 1 . . . . 89 N N . 18815 1 406 . 1 1 98 98 ALA H H 1 7.616 0.05 . 1 . . . . 90 A H . 18815 1 407 . 1 1 98 98 ALA C C 13 175.5 0.05 . 1 . . . . 90 A C . 18815 1 408 . 1 1 98 98 ALA CA C 13 50.57 0.05 . 1 . . . . 90 A CA . 18815 1 409 . 1 1 98 98 ALA CB C 13 17.27 0.05 . 1 . . . . 90 A CB . 18815 1 410 . 1 1 98 98 ALA N N 15 123.7 0.05 . 1 . . . . 90 A N . 18815 1 411 . 1 1 99 99 PRO C C 13 174.8 0.05 . 1 . . . . 91 P C . 18815 1 412 . 1 1 99 99 PRO CA C 13 61.72 0.05 . 1 . . . . 91 P CA . 18815 1 413 . 1 1 99 99 PRO CB C 13 31.70 0.05 . 1 . . . . 91 P CB . 18815 1 414 . 1 1 100 100 LEU H H 1 8.327 0.05 . 1 . . . . 92 L H . 18815 1 415 . 1 1 100 100 LEU C C 13 178.1 0.05 . 1 . . . . 92 L C . 18815 1 416 . 1 1 100 100 LEU CA C 13 55.05 0.05 . 1 . . . . 92 L CA . 18815 1 417 . 1 1 100 100 LEU CB C 13 41.98 0.05 . 1 . . . . 92 L CB . 18815 1 418 . 1 1 100 100 LEU N N 15 116.4 0.05 . 1 . . . . 92 L N . 18815 1 419 . 1 1 101 101 VAL H H 1 7.372 0.05 . 1 . . . . 93 V H . 18815 1 420 . 1 1 101 101 VAL C C 13 175.0 0.05 . 1 . . . . 93 V C . 18815 1 421 . 1 1 101 101 VAL CA C 13 59.40 0.05 . 1 . . . . 93 V CA . 18815 1 422 . 1 1 101 101 VAL CB C 13 33.76 0.05 . 1 . . . . 93 V CB . 18815 1 423 . 1 1 101 101 VAL N N 15 116.6 0.05 . 1 . . . . 93 V N . 18815 1 424 . 1 1 102 102 ALA H H 1 8.210 0.05 . 1 . . . . 94 A H . 18815 1 425 . 1 1 102 102 ALA C C 13 173.8 0.05 . 1 . . . . 94 A C . 18815 1 426 . 1 1 102 102 ALA CA C 13 49.86 0.05 . 1 . . . . 94 A CA . 18815 1 427 . 1 1 102 102 ALA CB C 13 16.21 0.05 . 1 . . . . 94 A CB . 18815 1 428 . 1 1 102 102 ALA N N 15 128.8 0.05 . 1 . . . . 94 A N . 18815 1 429 . 1 1 104 104 PRO C C 13 176.1 0.05 . 1 . . . . 96 P C . 18815 1 430 . 1 1 104 104 PRO CA C 13 63.77 0.05 . 1 . . . . 96 P CA . 18815 1 431 . 1 1 104 104 PRO CB C 13 31.01 0.05 . 1 . . . . 96 P CB . 18815 1 432 . 1 1 105 105 GLN H H 1 7.192 0.05 . 1 . . . . 97 Q H . 18815 1 433 . 1 1 105 105 GLN C C 13 175.3 0.05 . 1 . . . . 97 Q C . 18815 1 434 . 1 1 105 105 GLN CA C 13 53.75 0.05 . 1 . . . . 97 Q CA . 18815 1 435 . 1 1 105 105 GLN CB C 13 31.28 0.05 . 1 . . . . 97 Q CB . 18815 1 436 . 1 1 105 105 GLN N N 15 113.6 0.05 . 1 . . . . 97 Q N . 18815 1 437 . 1 1 106 106 GLY H H 1 8.619 0.05 . 1 . . . . 98 G H . 18815 1 438 . 1 1 106 106 GLY C C 13 180.9 0.05 . 1 . . . . 98 G C . 18815 1 439 . 1 1 106 106 GLY CA C 13 44.28 0.05 . 1 . . . . 98 G CA . 18815 1 440 . 1 1 106 106 GLY N N 15 109.4 0.05 . 1 . . . . 98 G N . 18815 1 441 . 1 1 107 107 PRO C C 13 177.7 0.05 . 1 . . . . 99 P C . 18815 1 442 . 1 1 107 107 PRO CA C 13 62.82 0.05 . 1 . . . . 99 P CA . 18815 1 443 . 1 1 107 107 PRO CB C 13 32.54 0.05 . 1 . . . . 99 P CB . 18815 1 444 . 1 1 108 108 ILE H H 1 9.478 0.05 . 1 . . . . 100 I H . 18815 1 445 . 1 1 108 108 ILE C C 13 173.7 0.05 . 1 . . . . 100 I C . 18815 1 446 . 1 1 108 108 ILE CA C 13 64.00 0.05 . 1 . . . . 100 I CA . 18815 1 447 . 1 1 108 108 ILE CB C 13 35.92 0.05 . 1 . . . . 100 I CB . 18815 1 448 . 1 1 108 108 ILE N N 15 128.0 0.05 . 1 . . . . 100 I N . 18815 1 449 . 1 1 109 109 PRO C C 13 176.5 0.05 . 1 . . . . 101 P C . 18815 1 450 . 1 1 109 109 PRO CA C 13 62.50 0.05 . 1 . . . . 101 P CA . 18815 1 451 . 1 1 109 109 PRO CB C 13 31.58 0.05 . 1 . . . . 101 P CB . 18815 1 452 . 1 1 110 110 MET H H 1 8.745 0.05 . 1 . . . . 102 M H . 18815 1 453 . 1 1 110 110 MET C C 13 176.3 0.05 . 1 . . . . 102 M C . 18815 1 454 . 1 1 110 110 MET CA C 13 54.70 0.05 . 1 . . . . 102 M CA . 18815 1 455 . 1 1 110 110 MET CB C 13 30.04 0.05 . 1 . . . . 102 M CB . 18815 1 456 . 1 1 110 110 MET N N 15 125.5 0.05 . 1 . . . . 102 M N . 18815 1 457 . 1 1 111 111 THR H H 1 8.009 0.05 . 1 . . . . 103 T H . 18815 1 458 . 1 1 111 111 THR C C 13 174.7 0.05 . 1 . . . . 103 T C . 18815 1 459 . 1 1 111 111 THR CA C 13 58.70 0.05 . 1 . . . . 103 T CA . 18815 1 460 . 1 1 111 111 THR CB C 13 70.09 0.05 . 1 . . . . 103 T CB . 18815 1 461 . 1 1 111 111 THR N N 15 116.6 0.05 . 1 . . . . 103 T N . 18815 1 462 . 1 1 112 112 ALA H H 1 10.16 0.05 . 1 . . . . 104 A H . 18815 1 463 . 1 1 112 112 ALA C C 13 179.6 0.05 . 1 . . . . 104 A C . 18815 1 464 . 1 1 112 112 ALA CA C 13 55.79 0.05 . 1 . . . . 104 A CA . 18815 1 465 . 1 1 112 112 ALA CB C 13 18.32 0.05 . 1 . . . . 104 A CB . 18815 1 466 . 1 1 112 112 ALA N N 15 125.4 0.05 . 1 . . . . 104 A N . 18815 1 467 . 1 1 113 113 ARG H H 1 8.656 0.05 . 1 . . . . 105 R H . 18815 1 468 . 1 1 113 113 ARG C C 13 177.1 0.05 . 1 . . . . 105 R C . 18815 1 469 . 1 1 113 113 ARG CA C 13 59.58 0.05 . 1 . . . . 105 R CA . 18815 1 470 . 1 1 113 113 ARG CB C 13 29.18 0.05 . 1 . . . . 105 R CB . 18815 1 471 . 1 1 113 113 ARG N N 15 116.8 0.05 . 1 . . . . 105 R N . 18815 1 472 . 1 1 114 114 PHE H H 1 7.145 0.05 . 1 . . . . 106 F H . 18815 1 473 . 1 1 114 114 PHE C C 13 180.8 0.05 . 1 . . . . 106 F C . 18815 1 474 . 1 1 114 114 PHE CA C 13 56.12 0.05 . 1 . . . . 106 F CA . 18815 1 475 . 1 1 114 114 PHE CB C 13 36.31 0.05 . 1 . . . . 106 F CB . 18815 1 476 . 1 1 114 114 PHE N N 15 116.0 0.05 . 1 . . . . 106 F N . 18815 1 477 . 1 1 115 115 ILE H H 1 8.497 0.05 . 1 . . . . 107 I H . 18815 1 478 . 1 1 115 115 ILE C C 13 175.8 0.05 . 1 . . . . 107 I C . 18815 1 479 . 1 1 115 115 ILE CA C 13 66.69 0.05 . 1 . . . . 107 I CA . 18815 1 480 . 1 1 115 115 ILE CB C 13 37.04 0.05 . 1 . . . . 107 I CB . 18815 1 481 . 1 1 115 115 ILE N N 15 125.6 0.05 . 1 . . . . 107 I N . 18815 1 482 . 1 1 116 116 ARG H H 1 7.216 0.05 . 1 . . . . 108 R H . 18815 1 483 . 1 1 116 116 ARG C C 13 175.2 0.05 . 1 . . . . 108 R C . 18815 1 484 . 1 1 116 116 ARG CA C 13 55.76 0.05 . 1 . . . . 108 R CA . 18815 1 485 . 1 1 116 116 ARG CB C 13 30.27 0.05 . 1 . . . . 108 R CB . 18815 1 486 . 1 1 116 116 ARG N N 15 114.5 0.05 . 1 . . . . 108 R N . 18815 1 487 . 1 1 117 117 GLY H H 1 7.843 0.05 . 1 . . . . 109 G H . 18815 1 488 . 1 1 117 117 GLY C C 13 174.4 0.05 . 1 . . . . 109 G C . 18815 1 489 . 1 1 117 117 GLY CA C 13 44.91 0.05 . 1 . . . . 109 G CA . 18815 1 490 . 1 1 117 117 GLY N N 15 105.5 0.05 . 1 . . . . 109 G N . 18815 1 491 . 1 1 118 118 LEU H H 1 8.177 0.05 . 1 . . . . 110 L H . 18815 1 492 . 1 1 118 118 LEU C C 13 175.9 0.05 . 1 . . . . 110 L C . 18815 1 493 . 1 1 118 118 LEU CA C 13 55.04 0.05 . 1 . . . . 110 L CA . 18815 1 494 . 1 1 118 118 LEU CB C 13 39.09 0.05 . 1 . . . . 110 L CB . 18815 1 495 . 1 1 118 118 LEU N N 15 125.7 0.05 . 1 . . . . 110 L N . 18815 1 496 . 1 1 119 119 GLY H H 1 8.484 0.05 . 1 . . . . 111 G H . 18815 1 497 . 1 1 119 119 GLY C C 13 174.3 0.05 . 1 . . . . 111 G C . 18815 1 498 . 1 1 119 119 GLY CA C 13 45.25 0.05 . 1 . . . . 111 G CA . 18815 1 499 . 1 1 119 119 GLY N N 15 109.6 0.05 . 1 . . . . 111 G N . 18815 1 500 . 1 1 120 120 VAL H H 1 7.071 0.05 . 1 . . . . 112 V H . 18815 1 501 . 1 1 120 120 VAL C C 13 174.0 0.05 . 1 . . . . 112 V C . 18815 1 502 . 1 1 120 120 VAL CA C 13 57.81 0.05 . 1 . . . . 112 V CA . 18815 1 503 . 1 1 120 120 VAL CB C 13 31.45 0.05 . 1 . . . . 112 V CB . 18815 1 504 . 1 1 120 120 VAL N N 15 119.4 0.05 . 1 . . . . 112 V N . 18815 1 505 . 1 1 121 121 PRO C C 13 177.3 0.05 . 1 . . . . 113 P C . 18815 1 506 . 1 1 121 121 PRO CA C 13 62.61 0.05 . 1 . . . . 113 P CA . 18815 1 507 . 1 1 121 121 PRO CB C 13 32.10 0.05 . 1 . . . . 113 P CB . 18815 1 508 . 1 1 122 122 ARG H H 1 8.879 0.05 . 1 . . . . 114 R H . 18815 1 509 . 1 1 122 122 ARG C C 13 177.7 0.05 . 1 . . . . 114 R C . 18815 1 510 . 1 1 122 122 ARG CA C 13 59.91 0.05 . 1 . . . . 114 R CA . 18815 1 511 . 1 1 122 122 ARG CB C 13 29.29 0.05 . 1 . . . . 114 R CB . 18815 1 512 . 1 1 122 122 ARG N N 15 126.6 0.05 . 1 . . . . 114 R N . 18815 1 513 . 1 1 123 123 GLU H H 1 9.294 0.05 . 1 . . . . 115 E H . 18815 1 514 . 1 1 123 123 GLU C C 13 180.0 0.05 . 1 . . . . 115 E C . 18815 1 515 . 1 1 123 123 GLU CA C 13 59.78 0.05 . 1 . . . . 115 E CA . 18815 1 516 . 1 1 123 123 GLU CB C 13 27.43 0.05 . 1 . . . . 115 E CB . 18815 1 517 . 1 1 123 123 GLU N N 15 115.6 0.05 . 1 . . . . 115 E N . 18815 1 518 . 1 1 124 124 ARG H H 1 6.884 0.05 . 1 . . . . 116 R H . 18815 1 519 . 1 1 124 124 ARG C C 13 178.1 0.05 . 1 . . . . 116 R C . 18815 1 520 . 1 1 124 124 ARG CA C 13 58.19 0.05 . 1 . . . . 116 R CA . 18815 1 521 . 1 1 124 124 ARG CB C 13 27.37 0.05 . 1 . . . . 116 R CB . 18815 1 522 . 1 1 124 124 ARG N N 15 115.3 0.05 . 1 . . . . 116 R N . 18815 1 523 . 1 1 125 125 GLN H H 1 7.163 0.05 . 1 . . . . 117 Q H . 18815 1 524 . 1 1 125 125 GLN C C 13 176.1 0.05 . 1 . . . . 117 Q C . 18815 1 525 . 1 1 125 125 GLN CA C 13 56.90 0.05 . 1 . . . . 117 Q CA . 18815 1 526 . 1 1 125 125 GLN CB C 13 26.80 0.05 . 1 . . . . 117 Q CB . 18815 1 527 . 1 1 125 125 GLN N N 15 117.7 0.05 . 1 . . . . 117 Q N . 18815 1 528 . 1 1 126 126 MET H H 1 6.800 0.05 . 1 . . . . 118 M H . 18815 1 529 . 1 1 126 126 MET C C 13 176.3 0.05 . 1 . . . . 118 M C . 18815 1 530 . 1 1 126 126 MET CA C 13 54.75 0.05 . 1 . . . . 118 M CA . 18815 1 531 . 1 1 126 126 MET CB C 13 32.30 0.05 . 1 . . . . 118 M CB . 18815 1 532 . 1 1 126 126 MET N N 15 114.3 0.05 . 1 . . . . 118 M N . 18815 1 533 . 1 1 127 127 GLU H H 1 6.848 0.05 . 1 . . . . 119 E H . 18815 1 534 . 1 1 127 127 GLU C C 13 176.9 0.05 . 1 . . . . 119 E C . 18815 1 535 . 1 1 127 127 GLU CA C 13 54.21 0.05 . 1 . . . . 119 E CA . 18815 1 536 . 1 1 127 127 GLU CB C 13 28.84 0.05 . 1 . . . . 119 E CB . 18815 1 537 . 1 1 127 127 GLU N N 15 120.1 0.05 . 1 . . . . 119 E N . 18815 1 538 . 1 1 128 128 PRO C C 13 179.3 0.05 . 1 . . . . 120 P C . 18815 1 539 . 1 1 128 128 PRO CA C 13 64.36 0.05 . 1 . . . . 120 P CA . 18815 1 540 . 1 1 128 128 PRO CB C 13 30.68 0.05 . 1 . . . . 120 P CB . 18815 1 541 . 1 1 129 129 ALA H H 1 7.778 0.05 . 1 . . . . 121 A H . 18815 1 542 . 1 1 129 129 ALA C C 13 178.3 0.05 . 1 . . . . 121 A C . 18815 1 543 . 1 1 129 129 ALA CA C 13 53.82 0.05 . 1 . . . . 121 A CA . 18815 1 544 . 1 1 129 129 ALA CB C 13 17.89 0.05 . 1 . . . . 121 A CB . 18815 1 545 . 1 1 129 129 ALA N N 15 117.7 0.05 . 1 . . . . 121 A N . 18815 1 546 . 1 1 130 130 PHE H H 1 8.228 0.05 . 1 . . . . 122 F H . 18815 1 547 . 1 1 130 130 PHE C C 13 178.1 0.05 . 1 . . . . 122 F C . 18815 1 548 . 1 1 130 130 PHE CA C 13 57.07 0.05 . 1 . . . . 122 F CA . 18815 1 549 . 1 1 130 130 PHE CB C 13 39.95 0.05 . 1 . . . . 122 F CB . 18815 1 550 . 1 1 130 130 PHE N N 15 119.7 0.05 . 1 . . . . 122 F N . 18815 1 551 . 1 1 131 131 ASP H H 1 8.234 0.05 . 1 . . . . 123 D H . 18815 1 552 . 1 1 131 131 ASP C C 13 178.2 0.05 . 1 . . . . 123 D C . 18815 1 553 . 1 1 131 131 ASP CA C 13 58.26 0.05 . 1 . . . . 123 D CA . 18815 1 554 . 1 1 131 131 ASP CB C 13 39.38 0.05 . 1 . . . . 123 D CB . 18815 1 555 . 1 1 131 131 ASP N N 15 125.3 0.05 . 1 . . . . 123 D N . 18815 1 556 . 1 1 132 132 GLN H H 1 8.862 0.05 . 1 . . . . 124 Q H . 18815 1 557 . 1 1 132 132 GLN C C 13 178.1 0.05 . 1 . . . . 124 Q C . 18815 1 558 . 1 1 132 132 GLN CA C 13 57.83 0.05 . 1 . . . . 124 Q CA . 18815 1 559 . 1 1 132 132 GLN CB C 13 27.42 0.05 . 1 . . . . 124 Q CB . 18815 1 560 . 1 1 132 132 GLN N N 15 114.9 0.05 . 1 . . . . 124 Q N . 18815 1 561 . 1 1 133 133 PHE H H 1 7.516 0.05 . 1 . . . . 125 F H . 18815 1 562 . 1 1 133 133 PHE C C 13 176.2 0.05 . 1 . . . . 125 F C . 18815 1 563 . 1 1 133 133 PHE CA C 13 60.07 0.05 . 1 . . . . 125 F CA . 18815 1 564 . 1 1 133 133 PHE CB C 13 35.66 0.05 . 1 . . . . 125 F CB . 18815 1 565 . 1 1 133 133 PHE N N 15 122.0 0.05 . 1 . . . . 125 F N . 18815 1 566 . 1 1 134 134 ARG H H 1 7.277 0.05 . 1 . . . . 126 R H . 18815 1 567 . 1 1 134 134 ARG C C 13 177.8 0.05 . 1 . . . . 126 R C . 18815 1 568 . 1 1 134 134 ARG CA C 13 58.04 0.05 . 1 . . . . 126 R CA . 18815 1 569 . 1 1 134 134 ARG CB C 13 27.49 0.05 . 1 . . . . 126 R CB . 18815 1 570 . 1 1 134 134 ARG N N 15 117.0 0.05 . 1 . . . . 126 R N . 18815 1 571 . 1 1 135 135 GLN H H 1 7.928 0.05 . 1 . . . . 127 Q H . 18815 1 572 . 1 1 135 135 GLN C C 13 179.5 0.05 . 1 . . . . 127 Q C . 18815 1 573 . 1 1 135 135 GLN CA C 13 58.53 0.05 . 1 . . . . 127 Q CA . 18815 1 574 . 1 1 135 135 GLN CB C 13 27.39 0.05 . 1 . . . . 127 Q CB . 18815 1 575 . 1 1 135 135 GLN N N 15 118.9 0.05 . 1 . . . . 127 Q N . 18815 1 576 . 1 1 136 136 THR H H 1 6.989 0.05 . 1 . . . . 128 T H . 18815 1 577 . 1 1 136 136 THR C C 13 173.8 0.05 . 1 . . . . 128 T C . 18815 1 578 . 1 1 136 136 THR N N 15 118.3 0.05 . 1 . . . . 128 T N . 18815 1 579 . 1 1 137 137 TYR H H 1 7.802 0.05 . 1 . . . . 129 Y H . 18815 1 580 . 1 1 137 137 TYR C C 13 177.2 0.05 . 1 . . . . 129 Y C . 18815 1 581 . 1 1 137 137 TYR CA C 13 57.11 0.05 . 1 . . . . 129 Y CA . 18815 1 582 . 1 1 137 137 TYR CB C 13 35.80 0.05 . 1 . . . . 129 Y CB . 18815 1 583 . 1 1 137 137 TYR N N 15 121.5 0.05 . 1 . . . . 129 Y N . 18815 1 584 . 1 1 138 138 ARG C C 13 177.6 0.05 . 1 . . . . 130 R C . 18815 1 585 . 1 1 138 138 ARG CA C 13 59.61 0.05 . 1 . . . . 130 R CA . 18815 1 586 . 1 1 138 138 ARG CB C 13 28.74 0.05 . 1 . . . . 130 R CB . 18815 1 587 . 1 1 139 139 GLN H H 1 6.973 0.05 . 1 . . . . 131 Q H . 18815 1 588 . 1 1 139 139 GLN C C 13 179.0 0.05 . 1 . . . . 131 Q C . 18815 1 589 . 1 1 139 139 GLN CA C 13 58.31 0.05 . 1 . . . . 131 Q CA . 18815 1 590 . 1 1 139 139 GLN CB C 13 27.03 0.05 . 1 . . . . 131 Q CB . 18815 1 591 . 1 1 139 139 GLN N N 15 116.7 0.05 . 1 . . . . 131 Q N . 18815 1 592 . 1 1 140 140 TRP H H 1 8.713 0.05 . 1 . . . . 132 W H . 18815 1 593 . 1 1 140 140 TRP C C 13 178.5 0.05 . 1 . . . . 132 W C . 18815 1 594 . 1 1 140 140 TRP CA C 13 58.26 0.05 . 1 . . . . 132 W CA . 18815 1 595 . 1 1 140 140 TRP CB C 13 28.54 0.05 . 1 . . . . 132 W CB . 18815 1 596 . 1 1 140 140 TRP N N 15 122.1 0.05 . 1 . . . . 132 W N . 18815 1 597 . 1 1 141 141 ILE H H 1 8.350 0.05 . 1 . . . . 133 I H . 18815 1 598 . 1 1 141 141 ILE C C 13 178.1 0.05 . 1 . . . . 133 I C . 18815 1 599 . 1 1 141 141 ILE CA C 13 66.12 0.05 . 1 . . . . 133 I CA . 18815 1 600 . 1 1 141 141 ILE CB C 13 36.65 0.05 . 1 . . . . 133 I CB . 18815 1 601 . 1 1 141 141 ILE N N 15 119.6 0.05 . 1 . . . . 133 I N . 18815 1 602 . 1 1 142 142 ILE H H 1 8.018 0.05 . 1 . . . . 134 I H . 18815 1 603 . 1 1 142 142 ILE C C 13 179.1 0.05 . 1 . . . . 134 I C . 18815 1 604 . 1 1 142 142 ILE CA C 13 66.68 0.05 . 1 . . . . 134 I CA . 18815 1 605 . 1 1 142 142 ILE CB C 13 37.40 0.05 . 1 . . . . 134 I CB . 18815 1 606 . 1 1 142 142 ILE N N 15 120.7 0.05 . 1 . . . . 134 I N . 18815 1 607 . 1 1 143 143 GLU H H 1 8.592 0.05 . 1 . . . . 135 E H . 18815 1 608 . 1 1 143 143 GLU C C 13 179.4 0.05 . 1 . . . . 135 E C . 18815 1 609 . 1 1 143 143 GLU CA C 13 58.86 0.05 . 1 . . . . 135 E CA . 18815 1 610 . 1 1 143 143 GLU CB C 13 28.25 0.05 . 1 . . . . 135 E CB . 18815 1 611 . 1 1 143 143 GLU N N 15 121.6 0.05 . 1 . . . . 135 E N . 18815 1 612 . 1 1 144 144 ALA H H 1 9.060 0.05 . 1 . . . . 136 A H . 18815 1 613 . 1 1 144 144 ALA C C 13 180.2 0.05 . 1 . . . . 136 A C . 18815 1 614 . 1 1 144 144 ALA CA C 13 54.60 0.05 . 1 . . . . 136 A CA . 18815 1 615 . 1 1 144 144 ALA CB C 13 19.26 0.05 . 1 . . . . 136 A CB . 18815 1 616 . 1 1 144 144 ALA N N 15 124.8 0.05 . 1 . . . . 136 A N . 18815 1 617 . 1 1 145 145 MET H H 1 8.648 0.05 . 1 . . . . 137 M H . 18815 1 618 . 1 1 145 145 MET C C 13 177.7 0.05 . 1 . . . . 137 M C . 18815 1 619 . 1 1 145 145 MET CA C 13 59.89 0.05 . 1 . . . . 137 M CA . 18815 1 620 . 1 1 145 145 MET CB C 13 31.89 0.05 . 1 . . . . 137 M CB . 18815 1 621 . 1 1 145 145 MET N N 15 118.8 0.05 . 1 . . . . 137 M N . 18815 1 622 . 1 1 146 146 SER H H 1 7.804 0.05 . 1 . . . . 138 S H . 18815 1 623 . 1 1 146 146 SER C C 13 177.3 0.05 . 1 . . . . 138 S C . 18815 1 624 . 1 1 146 146 SER CA C 13 62.23 0.05 . 1 . . . . 138 S CA . 18815 1 625 . 1 1 146 146 SER N N 15 116.8 0.05 . 1 . . . . 138 S N . 18815 1 626 . 1 1 147 147 GLU H H 1 8.042 0.05 . 1 . . . . 139 E H . 18815 1 627 . 1 1 147 147 GLU C C 13 179.3 0.05 . 1 . . . . 139 E C . 18815 1 628 . 1 1 147 147 GLU CA C 13 58.29 0.05 . 1 . . . . 139 E CA . 18815 1 629 . 1 1 147 147 GLU CB C 13 27.96 0.05 . 1 . . . . 139 E CB . 18815 1 630 . 1 1 147 147 GLU N N 15 122.5 0.05 . 1 . . . . 139 E N . 18815 1 631 . 1 1 148 148 GLY H H 1 8.784 0.05 . 1 . . . . 140 G H . 18815 1 632 . 1 1 148 148 GLY C C 13 175.2 0.05 . 1 . . . . 140 G C . 18815 1 633 . 1 1 148 148 GLY CA C 13 47.27 0.05 . 1 . . . . 140 G CA . 18815 1 634 . 1 1 148 148 GLY N N 15 108.9 0.05 . 1 . . . . 140 G N . 18815 1 635 . 1 1 149 149 ILE H H 1 8.511 0.05 . 1 . . . . 141 I H . 18815 1 636 . 1 1 149 149 ILE C C 13 177.8 0.05 . 1 . . . . 141 I C . 18815 1 637 . 1 1 149 149 ILE CA C 13 65.72 0.05 . 1 . . . . 141 I CA . 18815 1 638 . 1 1 149 149 ILE CB C 13 37.69 0.05 . 1 . . . . 141 I CB . 18815 1 639 . 1 1 149 149 ILE N N 15 123.8 0.05 . 1 . . . . 141 I N . 18815 1 640 . 1 1 150 150 LYS H H 1 7.223 0.05 . 1 . . . . 142 K H . 18815 1 641 . 1 1 150 150 LYS C C 13 179.9 0.05 . 1 . . . . 142 K C . 18815 1 642 . 1 1 150 150 LYS CA C 13 59.36 0.05 . 1 . . . . 142 K CA . 18815 1 643 . 1 1 150 150 LYS CB C 13 31.22 0.05 . 1 . . . . 142 K CB . 18815 1 644 . 1 1 150 150 LYS N N 15 118.5 0.05 . 1 . . . . 142 K N . 18815 1 645 . 1 1 151 151 VAL H H 1 7.727 0.05 . 1 . . . . 143 V H . 18815 1 646 . 1 1 151 151 VAL C C 13 178.5 0.05 . 1 . . . . 143 V C . 18815 1 647 . 1 1 151 151 VAL CA C 13 65.04 0.05 . 1 . . . . 143 V CA . 18815 1 648 . 1 1 151 151 VAL CB C 13 30.87 0.05 . 1 . . . . 143 V CB . 18815 1 649 . 1 1 151 151 VAL N N 15 119.7 0.05 . 1 . . . . 143 V N . 18815 1 650 . 1 1 152 152 MET H H 1 7.788 0.05 . 1 . . . . 144 M H . 18815 1 651 . 1 1 152 152 MET C C 13 178.7 0.05 . 1 . . . . 144 M C . 18815 1 652 . 1 1 152 152 MET CA C 13 56.06 0.05 . 1 . . . . 144 M CA . 18815 1 653 . 1 1 152 152 MET CB C 13 30.64 0.05 . 1 . . . . 144 M CB . 18815 1 654 . 1 1 152 152 MET N N 15 118.7 0.05 . 1 . . . . 144 M N . 18815 1 655 . 1 1 153 153 ILE H H 1 7.881 0.05 . 1 . . . . 145 I H . 18815 1 656 . 1 1 153 153 ILE C C 13 177.5 0.05 . 1 . . . . 145 I C . 18815 1 657 . 1 1 153 153 ILE CA C 13 62.72 0.05 . 1 . . . . 145 I CA . 18815 1 658 . 1 1 153 153 ILE CB C 13 37.34 0.05 . 1 . . . . 145 I CB . 18815 1 659 . 1 1 153 153 ILE N N 15 119.1 0.05 . 1 . . . . 145 I N . 18815 1 660 . 1 1 154 154 GLY H H 1 7.753 0.05 . 1 . . . . 146 G H . 18815 1 661 . 1 1 154 154 GLY C C 13 174.0 0.05 . 1 . . . . 146 G C . 18815 1 662 . 1 1 154 154 GLY CA C 13 44.78 0.05 . 1 . . . . 146 G CA . 18815 1 663 . 1 1 154 154 GLY N N 15 109.4 0.05 . 1 . . . . 146 G N . 18815 1 664 . 1 1 155 155 LYS H H 1 7.717 0.05 . 1 . . . . 147 K H . 18815 1 665 . 1 1 155 155 LYS C C 13 174.5 0.05 . 1 . . . . 147 K C . 18815 1 666 . 1 1 155 155 LYS CA C 13 53.93 0.05 . 1 . . . . 147 K CA . 18815 1 667 . 1 1 155 155 LYS CB C 13 31.17 0.05 . 1 . . . . 147 K CB . 18815 1 668 . 1 1 155 155 LYS N N 15 122.6 0.05 . 1 . . . . 147 K N . 18815 1 669 . 1 1 156 156 PRO C C 13 176.0 0.05 . 1 . . . . 148 P C . 18815 1 670 . 1 1 156 156 PRO CA C 13 62.93 0.05 . 1 . . . . 148 P CA . 18815 1 671 . 1 1 156 156 PRO CB C 13 31.24 0.05 . 1 . . . . 148 P CB . 18815 1 672 . 1 1 157 157 LYS H H 1 7.975 0.05 . 1 . . . . 149 K H . 18815 1 673 . 1 1 157 157 LYS C C 13 178.4 0.05 . 1 . . . . 149 K C . 18815 1 674 . 1 1 157 157 LYS CA C 13 54.51 0.05 . 1 . . . . 149 K CA . 18815 1 675 . 1 1 157 157 LYS CB C 13 34.08 0.05 . 1 . . . . 149 K CB . 18815 1 676 . 1 1 157 157 LYS N N 15 119.9 0.05 . 1 . . . . 149 K N . 18815 1 677 . 1 1 158 158 ALA H H 1 10.20 0.05 . 1 . . . . 150 A H . 18815 1 678 . 1 1 158 158 ALA C C 13 177.8 0.05 . 1 . . . . 150 A C . 18815 1 679 . 1 1 158 158 ALA CA C 13 55.83 0.05 . 1 . . . . 150 A CA . 18815 1 680 . 1 1 158 158 ALA CB C 13 17.99 0.05 . 1 . . . . 150 A CB . 18815 1 681 . 1 1 158 158 ALA N N 15 127.7 0.05 . 1 . . . . 150 A N . 18815 1 682 . 1 1 159 159 GLN H H 1 8.740 0.05 . 1 . . . . 151 Q H . 18815 1 683 . 1 1 159 159 GLN C C 13 176.4 0.05 . 1 . . . . 151 Q C . 18815 1 684 . 1 1 159 159 GLN CA C 13 58.81 0.05 . 1 . . . . 151 Q CA . 18815 1 685 . 1 1 159 159 GLN CB C 13 27.12 0.05 . 1 . . . . 151 Q CB . 18815 1 686 . 1 1 159 159 GLN N N 15 111.7 0.05 . 1 . . . . 151 Q N . 18815 1 687 . 1 1 160 160 ASN H H 1 7.934 0.05 . 1 . . . . 152 N H . 18815 1 688 . 1 1 160 160 ASN C C 13 175.0 0.05 . 1 . . . . 152 N C . 18815 1 689 . 1 1 160 160 ASN CA C 13 52.35 0.05 . 1 . . . . 152 N CA . 18815 1 690 . 1 1 160 160 ASN CB C 13 38.95 0.05 . 1 . . . . 152 N CB . 18815 1 691 . 1 1 160 160 ASN N N 15 115.6 0.05 . 1 . . . . 152 N N . 18815 1 692 . 1 1 161 161 ILE H H 1 7.599 0.05 . 1 . . . . 153 I H . 18815 1 693 . 1 1 161 161 ILE C C 13 174.1 0.05 . 1 . . . . 153 I C . 18815 1 694 . 1 1 161 161 ILE CA C 13 60.01 0.05 . 1 . . . . 153 I CA . 18815 1 695 . 1 1 161 161 ILE CB C 13 33.65 0.05 . 1 . . . . 153 I CB . 18815 1 696 . 1 1 161 161 ILE N N 15 124.0 0.05 . 1 . . . . 153 I N . 18815 1 697 . 1 1 162 162 ARG H H 1 8.205 0.05 . 1 . . . . 154 R H . 18815 1 698 . 1 1 162 162 ARG C C 13 175.7 0.05 . 1 . . . . 154 R C . 18815 1 699 . 1 1 162 162 ARG CA C 13 53.64 0.05 . 1 . . . . 154 R CA . 18815 1 700 . 1 1 162 162 ARG CB C 13 31.88 0.05 . 1 . . . . 154 R CB . 18815 1 701 . 1 1 162 162 ARG N N 15 126.9 0.05 . 1 . . . . 154 R N . 18815 1 702 . 1 1 163 163 GLN H H 1 7.404 0.05 . 1 . . . . 155 Q H . 18815 1 703 . 1 1 163 163 GLN C C 13 177.2 0.05 . 1 . . . . 155 Q C . 18815 1 704 . 1 1 163 163 GLN CA C 13 54.78 0.05 . 1 . . . . 155 Q CA . 18815 1 705 . 1 1 163 163 GLN CB C 13 26.91 0.05 . 1 . . . . 155 Q CB . 18815 1 706 . 1 1 163 163 GLN N N 15 126.5 0.05 . 1 . . . . 155 Q N . 18815 1 707 . 1 1 164 164 GLY H H 1 9.616 0.05 . 1 . . . . 156 G H . 18815 1 708 . 1 1 164 164 GLY C C 13 175.5 0.05 . 1 . . . . 156 G C . 18815 1 709 . 1 1 164 164 GLY CA C 13 44.76 0.05 . 1 . . . . 156 G CA . 18815 1 710 . 1 1 164 164 GLY N N 15 116.4 0.05 . 1 . . . . 156 G N . 18815 1 711 . 1 1 165 165 ALA H H 1 8.885 0.05 . 1 . . . . 157 A H . 18815 1 712 . 1 1 165 165 ALA C C 13 178.4 0.05 . 1 . . . . 157 A C . 18815 1 713 . 1 1 165 165 ALA CA C 13 55.43 0.05 . 1 . . . . 157 A CA . 18815 1 714 . 1 1 165 165 ALA CB C 13 17.84 0.05 . 1 . . . . 157 A CB . 18815 1 715 . 1 1 165 165 ALA N N 15 126.9 0.05 . 1 . . . . 157 A N . 18815 1 716 . 1 1 166 166 LYS H H 1 8.505 0.05 . 1 . . . . 158 K H . 18815 1 717 . 1 1 166 166 LYS C C 13 175.6 0.05 . 1 . . . . 158 K C . 18815 1 718 . 1 1 166 166 LYS CA C 13 53.46 0.05 . 1 . . . . 158 K CA . 18815 1 719 . 1 1 166 166 LYS CB C 13 31.15 0.05 . 1 . . . . 158 K CB . 18815 1 720 . 1 1 166 166 LYS N N 15 114.4 0.05 . 1 . . . . 158 K N . 18815 1 721 . 1 1 167 167 GLU H H 1 6.847 0.05 . 1 . . . . 159 E H . 18815 1 722 . 1 1 167 167 GLU C C 13 174.7 0.05 . 1 . . . . 159 E C . 18815 1 723 . 1 1 167 167 GLU CA C 13 52.84 0.05 . 1 . . . . 159 E CA . 18815 1 724 . 1 1 167 167 GLU CB C 13 31.11 0.05 . 1 . . . . 159 E CB . 18815 1 725 . 1 1 167 167 GLU N N 15 125.5 0.05 . 1 . . . . 159 E N . 18815 1 726 . 1 1 168 168 PRO C C 13 176.8 0.05 . 1 . . . . 160 P C . 18815 1 727 . 1 1 168 168 PRO CA C 13 62.62 0.05 . 1 . . . . 160 P CA . 18815 1 728 . 1 1 168 168 PRO CB C 13 31.04 0.05 . 1 . . . . 160 P CB . 18815 1 729 . 1 1 169 169 TYR H H 1 8.584 0.05 . 1 . . . . 161 Y H . 18815 1 730 . 1 1 169 169 TYR C C 13 174.1 0.05 . 1 . . . . 161 Y C . 18815 1 731 . 1 1 169 169 TYR CA C 13 58.39 0.05 . 1 . . . . 161 Y CA . 18815 1 732 . 1 1 169 169 TYR CB C 13 38.52 0.05 . 1 . . . . 161 Y CB . 18815 1 733 . 1 1 169 169 TYR N N 15 126.2 0.05 . 1 . . . . 161 Y N . 18815 1 734 . 1 1 170 170 PRO C C 13 178.9 0.05 . 1 . . . . 162 P C . 18815 1 735 . 1 1 170 170 PRO CA C 13 65.86 0.05 . 1 . . . . 162 P CA . 18815 1 736 . 1 1 170 170 PRO CB C 13 30.26 0.05 . 1 . . . . 162 P CB . 18815 1 737 . 1 1 171 171 GLU H H 1 6.842 0.05 . 1 . . . . 163 E H . 18815 1 738 . 1 1 171 171 GLU C C 13 179.1 0.05 . 1 . . . . 163 E C . 18815 1 739 . 1 1 171 171 GLU CA C 13 58.50 0.05 . 1 . . . . 163 E CA . 18815 1 740 . 1 1 171 171 GLU CB C 13 28.73 0.05 . 1 . . . . 163 E CB . 18815 1 741 . 1 1 171 171 GLU N N 15 115.7 0.05 . 1 . . . . 163 E N . 18815 1 742 . 1 1 172 172 PHE H H 1 7.381 0.05 . 1 . . . . 164 F H . 18815 1 743 . 1 1 172 172 PHE C C 13 175.7 0.05 . 1 . . . . 164 F C . 18815 1 744 . 1 1 172 172 PHE CA C 13 58.89 0.05 . 1 . . . . 164 F CA . 18815 1 745 . 1 1 172 172 PHE CB C 13 37.77 0.05 . 1 . . . . 164 F CB . 18815 1 746 . 1 1 172 172 PHE N N 15 123.6 0.05 . 1 . . . . 164 F N . 18815 1 747 . 1 1 173 173 VAL H H 1 8.072 0.05 . 1 . . . . 165 V H . 18815 1 748 . 1 1 173 173 VAL C C 13 177.2 0.05 . 1 . . . . 165 V C . 18815 1 749 . 1 1 173 173 VAL CA C 13 66.48 0.05 . 1 . . . . 165 V CA . 18815 1 750 . 1 1 173 173 VAL CB C 13 30.36 0.05 . 1 . . . . 165 V CB . 18815 1 751 . 1 1 173 173 VAL N N 15 120.0 0.05 . 1 . . . . 165 V N . 18815 1 752 . 1 1 174 174 ASP H H 1 7.393 0.05 . 1 . . . . 166 D H . 18815 1 753 . 1 1 174 174 ASP C C 13 179.1 0.05 . 1 . . . . 166 D C . 18815 1 754 . 1 1 174 174 ASP CA C 13 57.44 0.05 . 1 . . . . 166 D CA . 18815 1 755 . 1 1 174 174 ASP CB C 13 40.41 0.05 . 1 . . . . 166 D CB . 18815 1 756 . 1 1 174 174 ASP N N 15 118.1 0.05 . 1 . . . . 166 D N . 18815 1 757 . 1 1 175 175 ARG H H 1 7.550 0.05 . 1 . . . . 167 R H . 18815 1 758 . 1 1 175 175 ARG C C 13 179.5 0.05 . 1 . . . . 167 R C . 18815 1 759 . 1 1 175 175 ARG CA C 13 59.24 0.05 . 1 . . . . 167 R CA . 18815 1 760 . 1 1 175 175 ARG CB C 13 29.27 0.05 . 1 . . . . 167 R CB . 18815 1 761 . 1 1 175 175 ARG N N 15 120.3 0.05 . 1 . . . . 167 R N . 18815 1 762 . 1 1 176 176 LEU H H 1 8.365 0.05 . 1 . . . . 168 L H . 18815 1 763 . 1 1 176 176 LEU C C 13 178.4 0.05 . 1 . . . . 168 L C . 18815 1 764 . 1 1 176 176 LEU CA C 13 52.12 0.05 . 1 . . . . 168 L CA . 18815 1 765 . 1 1 176 176 LEU CB C 13 40.72 0.05 . 1 . . . . 168 L CB . 18815 1 766 . 1 1 176 176 LEU N N 15 123.6 0.05 . 1 . . . . 168 L N . 18815 1 767 . 1 1 177 177 LEU H H 1 8.978 0.05 . 1 . . . . 169 L H . 18815 1 768 . 1 1 177 177 LEU C C 13 180.5 0.05 . 1 . . . . 169 L C . 18815 1 769 . 1 1 177 177 LEU CA C 13 58.13 0.05 . 1 . . . . 169 L CA . 18815 1 770 . 1 1 177 177 LEU CB C 13 39.26 0.05 . 1 . . . . 169 L CB . 18815 1 771 . 1 1 177 177 LEU N N 15 119.8 0.05 . 1 . . . . 169 L N . 18815 1 772 . 1 1 178 178 SER H H 1 7.877 0.05 . 1 . . . . 170 S H . 18815 1 773 . 1 1 178 178 SER C C 13 177.1 0.05 . 1 . . . . 170 S C . 18815 1 774 . 1 1 178 178 SER CA C 13 61.51 0.05 . 1 . . . . 170 S CA . 18815 1 775 . 1 1 178 178 SER CB C 13 62.46 0.05 . 1 . . . . 170 S CB . 18815 1 776 . 1 1 178 178 SER N N 15 114.8 0.05 . 1 . . . . 170 S N . 18815 1 777 . 1 1 179 179 GLN H H 1 7.458 0.05 . 1 . . . . 171 Q H . 18815 1 778 . 1 1 179 179 GLN C C 13 178.9 0.05 . 1 . . . . 171 Q C . 18815 1 779 . 1 1 179 179 GLN CA C 13 57.56 0.05 . 1 . . . . 171 Q CA . 18815 1 780 . 1 1 179 179 GLN CB C 13 26.56 0.05 . 1 . . . . 171 Q CB . 18815 1 781 . 1 1 179 179 GLN N N 15 122.7 0.05 . 1 . . . . 171 Q N . 18815 1 782 . 1 1 180 180 ILE H H 1 8.680 0.05 . 1 . . . . 172 I H . 18815 1 783 . 1 1 180 180 ILE C C 13 179.8 0.05 . 1 . . . . 172 I C . 18815 1 784 . 1 1 180 180 ILE CA C 13 66.29 0.05 . 1 . . . . 172 I CA . 18815 1 785 . 1 1 180 180 ILE CB C 13 37.85 0.05 . 1 . . . . 172 I CB . 18815 1 786 . 1 1 180 180 ILE N N 15 120.9 0.05 . 1 . . . . 172 I N . 18815 1 787 . 1 1 181 181 LYS H H 1 8.338 0.05 . 1 . . . . 173 K H . 18815 1 788 . 1 1 181 181 LYS C C 13 179.3 0.05 . 1 . . . . 173 K C . 18815 1 789 . 1 1 181 181 LYS CA C 13 59.35 0.05 . 1 . . . . 173 K CA . 18815 1 790 . 1 1 181 181 LYS CB C 13 31.20 0.05 . 1 . . . . 173 K CB . 18815 1 791 . 1 1 181 181 LYS N N 15 121.0 0.05 . 1 . . . . 173 K N . 18815 1 792 . 1 1 182 182 SER H H 1 7.725 0.05 . 1 . . . . 174 S H . 18815 1 793 . 1 1 182 182 SER C C 13 175.2 0.05 . 1 . . . . 174 S C . 18815 1 794 . 1 1 182 182 SER CA C 13 60.32 0.05 . 1 . . . . 174 S CA . 18815 1 795 . 1 1 182 182 SER CB C 13 62.67 0.05 . 1 . . . . 174 S CB . 18815 1 796 . 1 1 182 182 SER N N 15 115.7 0.05 . 1 . . . . 174 S N . 18815 1 797 . 1 1 183 183 GLU H H 1 7.282 0.05 . 1 . . . . 175 E H . 18815 1 798 . 1 1 183 183 GLU C C 13 178.0 0.05 . 1 . . . . 175 E C . 18815 1 799 . 1 1 183 183 GLU CA C 13 56.74 0.05 . 1 . . . . 175 E CA . 18815 1 800 . 1 1 183 183 GLU CB C 13 29.71 0.05 . 1 . . . . 175 E CB . 18815 1 801 . 1 1 183 183 GLU N N 15 120.4 0.05 . 1 . . . . 175 E N . 18815 1 802 . 1 1 184 184 GLY H H 1 7.325 0.05 . 1 . . . . 176 G H . 18815 1 803 . 1 1 184 184 GLY C C 13 175.0 0.05 . 1 . . . . 176 G C . 18815 1 804 . 1 1 184 184 GLY CA C 13 47.24 0.05 . 1 . . . . 176 G CA . 18815 1 805 . 1 1 184 184 GLY N N 15 107.0 0.05 . 1 . . . . 176 G N . 18815 1 806 . 1 1 185 185 HIS H H 1 8.669 0.05 . 1 . . . . 177 H H . 18815 1 807 . 1 1 185 185 HIS C C 13 174.0 0.05 . 1 . . . . 177 H C . 18815 1 808 . 1 1 185 185 HIS CA C 13 54.19 0.05 . 1 . . . . 177 H CA . 18815 1 809 . 1 1 185 185 HIS CB C 13 28.84 0.05 . 1 . . . . 177 H CB . 18815 1 810 . 1 1 185 185 HIS N N 15 119.3 0.05 . 1 . . . . 177 H N . 18815 1 811 . 1 1 186 186 PRO C C 13 177.9 0.05 . 1 . . . . 178 P C . 18815 1 812 . 1 1 186 186 PRO CA C 13 62.39 0.05 . 1 . . . . 178 P CA . 18815 1 813 . 1 1 186 186 PRO CB C 13 31.75 0.05 . 1 . . . . 178 P CB . 18815 1 814 . 1 1 187 187 GLN H H 1 8.975 0.05 . 1 . . . . 179 Q H . 18815 1 815 . 1 1 187 187 GLN C C 13 177.7 0.05 . 1 . . . . 179 Q C . 18815 1 816 . 1 1 187 187 GLN CA C 13 59.39 0.05 . 1 . . . . 179 Q CA . 18815 1 817 . 1 1 187 187 GLN CB C 13 27.67 0.05 . 1 . . . . 179 Q CB . 18815 1 818 . 1 1 187 187 GLN N N 15 124.6 0.05 . 1 . . . . 179 Q N . 18815 1 819 . 1 1 188 188 GLU H H 1 9.646 0.05 . 1 . . . . 180 E H . 18815 1 820 . 1 1 188 188 GLU C C 13 179.4 0.05 . 1 . . . . 180 E C . 18815 1 821 . 1 1 188 188 GLU CA C 13 59.47 0.05 . 1 . . . . 180 E CA . 18815 1 822 . 1 1 188 188 GLU CB C 13 27.66 0.05 . 1 . . . . 180 E CB . 18815 1 823 . 1 1 188 188 GLU N N 15 118.7 0.05 . 1 . . . . 180 E N . 18815 1 824 . 1 1 189 189 ILE H H 1 7.112 0.05 . 1 . . . . 181 I H . 18815 1 825 . 1 1 189 189 ILE C C 13 177.5 0.05 . 1 . . . . 181 I C . 18815 1 826 . 1 1 189 189 ILE CA C 13 62.18 0.05 . 1 . . . . 181 I CA . 18815 1 827 . 1 1 189 189 ILE CB C 13 36.70 0.05 . 1 . . . . 181 I CB . 18815 1 828 . 1 1 189 189 ILE N N 15 121.1 0.05 . 1 . . . . 181 I N . 18815 1 829 . 1 1 190 190 SER H H 1 8.466 0.05 . 1 . . . . 182 S H . 18815 1 830 . 1 1 190 190 SER C C 13 177.8 0.05 . 1 . . . . 182 S C . 18815 1 831 . 1 1 190 190 SER CA C 13 56.00 0.05 . 1 . . . . 182 S CA . 18815 1 832 . 1 1 190 190 SER N N 15 117.4 0.05 . 1 . . . . 182 S N . 18815 1 833 . 1 1 191 191 LYS H H 1 8.290 0.05 . 1 . . . . 183 K H . 18815 1 834 . 1 1 191 191 LYS C C 13 176.8 0.05 . 1 . . . . 183 K C . 18815 1 835 . 1 1 191 191 LYS CA C 13 59.44 0.05 . 1 . . . . 183 K CA . 18815 1 836 . 1 1 191 191 LYS CB C 13 31.19 0.05 . 1 . . . . 183 K CB . 18815 1 837 . 1 1 191 191 LYS N N 15 124.4 0.05 . 1 . . . . 183 K N . 18815 1 838 . 1 1 192 192 PHE H H 1 7.341 0.05 . 1 . . . . 184 F H . 18815 1 839 . 1 1 192 192 PHE C C 13 179.3 0.05 . 1 . . . . 184 F C . 18815 1 840 . 1 1 192 192 PHE CA C 13 60.99 0.05 . 1 . . . . 184 F CA . 18815 1 841 . 1 1 192 192 PHE CB C 13 38.54 0.05 . 1 . . . . 184 F CB . 18815 1 842 . 1 1 192 192 PHE N N 15 120.6 0.05 . 1 . . . . 184 F N . 18815 1 843 . 1 1 193 193 LEU H H 1 8.779 0.05 . 1 . . . . 185 L H . 18815 1 844 . 1 1 193 193 LEU C C 13 178.0 0.05 . 1 . . . . 185 L C . 18815 1 845 . 1 1 193 193 LEU CA C 13 57.22 0.05 . 1 . . . . 185 L CA . 18815 1 846 . 1 1 193 193 LEU CB C 13 41.63 0.05 . 1 . . . . 185 L CB . 18815 1 847 . 1 1 193 193 LEU N N 15 120.9 0.05 . 1 . . . . 185 L N . 18815 1 848 . 1 1 194 194 THR H H 1 8.058 0.05 . 1 . . . . 186 T H . 18815 1 849 . 1 1 194 194 THR C C 13 176.0 0.05 . 1 . . . . 186 T C . 18815 1 850 . 1 1 194 194 THR CA C 13 67.30 0.05 . 1 . . . . 186 T CA . 18815 1 851 . 1 1 194 194 THR CB C 13 67.94 0.05 . 1 . . . . 186 T CB . 18815 1 852 . 1 1 194 194 THR N N 15 117.2 0.05 . 1 . . . . 186 T N . 18815 1 853 . 1 1 195 195 ASP H H 1 8.762 0.05 . 1 . . . . 187 D H . 18815 1 854 . 1 1 195 195 ASP C C 13 176.4 0.05 . 1 . . . . 187 D C . 18815 1 855 . 1 1 195 195 ASP CA C 13 57.13 0.05 . 1 . . . . 187 D CA . 18815 1 856 . 1 1 195 195 ASP CB C 13 39.23 0.05 . 1 . . . . 187 D CB . 18815 1 857 . 1 1 195 195 ASP N N 15 123.6 0.05 . 1 . . . . 187 D N . 18815 1 858 . 1 1 196 196 THR H H 1 7.483 0.05 . 1 . . . . 188 T H . 18815 1 859 . 1 1 196 196 THR C C 13 178.8 0.05 . 1 . . . . 188 T C . 18815 1 860 . 1 1 196 196 THR CA C 13 64.12 0.05 . 1 . . . . 188 T CA . 18815 1 861 . 1 1 196 196 THR CB C 13 69.15 0.05 . 1 . . . . 188 T CB . 18815 1 862 . 1 1 196 196 THR N N 15 106.0 0.05 . 1 . . . . 188 T N . 18815 1 863 . 1 1 197 197 LEU H H 1 8.609 0.05 . 1 . . . . 189 L H . 18815 1 864 . 1 1 197 197 LEU C C 13 178.9 0.05 . 1 . . . . 189 L C . 18815 1 865 . 1 1 197 197 LEU CA C 13 58.29 0.05 . 1 . . . . 189 L CA . 18815 1 866 . 1 1 197 197 LEU CB C 13 40.42 0.05 . 1 . . . . 189 L CB . 18815 1 867 . 1 1 197 197 LEU N N 15 122.7 0.05 . 1 . . . . 189 L N . 18815 1 868 . 1 1 198 198 THR H H 1 7.148 0.05 . 1 . . . . 190 T H . 18815 1 869 . 1 1 198 198 THR C C 13 175.9 0.05 . 1 . . . . 190 T C . 18815 1 870 . 1 1 198 198 THR CA C 13 63.82 0.05 . 1 . . . . 190 T CA . 18815 1 871 . 1 1 198 198 THR CB C 13 68.50 0.05 . 1 . . . . 190 T CB . 18815 1 872 . 1 1 198 198 THR N N 15 106.0 0.05 . 1 . . . . 190 T N . 18815 1 873 . 1 1 199 199 ILE H H 1 6.730 0.05 . 1 . . . . 191 I H . 18815 1 874 . 1 1 199 199 ILE C C 13 176.5 0.05 . 1 . . . . 191 I C . 18815 1 875 . 1 1 199 199 ILE CA C 13 63.30 0.05 . 1 . . . . 191 I CA . 18815 1 876 . 1 1 199 199 ILE CB C 13 38.70 0.05 . 1 . . . . 191 I CB . 18815 1 877 . 1 1 199 199 ILE N N 15 118.0 0.05 . 1 . . . . 191 I N . 18815 1 878 . 1 1 200 200 GLN H H 1 8.290 0.05 . 1 . . . . 192 Q H . 18815 1 879 . 1 1 200 200 GLN C C 13 176.9 0.05 . 1 . . . . 192 Q C . 18815 1 880 . 1 1 200 200 GLN CA C 13 58.54 0.05 . 1 . . . . 192 Q CA . 18815 1 881 . 1 1 200 200 GLN CB C 13 28.98 0.05 . 1 . . . . 192 Q CB . 18815 1 882 . 1 1 200 200 GLN N N 15 115.4 0.05 . 1 . . . . 192 Q N . 18815 1 883 . 1 1 201 201 ASN H H 1 7.943 0.05 . 1 . . . . 193 N H . 18815 1 884 . 1 1 201 201 ASN C C 13 174.8 0.05 . 1 . . . . 193 N C . 18815 1 885 . 1 1 201 201 ASN CA C 13 52.06 0.05 . 1 . . . . 193 N CA . 18815 1 886 . 1 1 201 201 ASN CB C 13 35.92 0.05 . 1 . . . . 193 N CB . 18815 1 887 . 1 1 201 201 ASN N N 15 115.4 0.05 . 1 . . . . 193 N N . 18815 1 888 . 1 1 202 202 ALA H H 1 7.013 0.05 . 1 . . . . 194 A H . 18815 1 889 . 1 1 202 202 ALA C C 13 176.1 0.05 . 1 . . . . 194 A C . 18815 1 890 . 1 1 202 202 ALA CA C 13 51.00 0.05 . 1 . . . . 194 A CA . 18815 1 891 . 1 1 202 202 ALA CB C 13 18.56 0.05 . 1 . . . . 194 A CB . 18815 1 892 . 1 1 202 202 ALA N N 15 124.3 0.05 . 1 . . . . 194 A N . 18815 1 893 . 1 1 203 203 ASN H H 1 8.983 0.05 . 1 . . . . 195 N H . 18815 1 894 . 1 1 203 203 ASN C C 13 174.7 0.05 . 1 . . . . 195 N C . 18815 1 895 . 1 1 203 203 ASN CA C 13 51.13 0.05 . 1 . . . . 195 N CA . 18815 1 896 . 1 1 203 203 ASN CB C 13 36.62 0.05 . 1 . . . . 195 N CB . 18815 1 897 . 1 1 203 203 ASN N N 15 119.6 0.05 . 1 . . . . 195 N N . 18815 1 898 . 1 1 204 204 GLU H H 1 8.319 0.05 . 1 . . . . 196 E H . 18815 1 899 . 1 1 204 204 GLU C C 13 178.7 0.05 . 1 . . . . 196 E C . 18815 1 900 . 1 1 204 204 GLU CA C 13 60.14 0.05 . 1 . . . . 196 E CA . 18815 1 901 . 1 1 204 204 GLU CB C 13 29.02 0.05 . 1 . . . . 196 E CB . 18815 1 902 . 1 1 204 204 GLU N N 15 118.6 0.05 . 1 . . . . 196 E N . 18815 1 903 . 1 1 205 205 GLU H H 1 8.202 0.05 . 1 . . . . 197 E H . 18815 1 904 . 1 1 205 205 GLU C C 13 180.6 0.05 . 1 . . . . 197 E C . 18815 1 905 . 1 1 205 205 GLU CA C 13 59.59 0.05 . 1 . . . . 197 E CA . 18815 1 906 . 1 1 205 205 GLU CB C 13 29.01 0.05 . 1 . . . . 197 E CB . 18815 1 907 . 1 1 205 205 GLU N N 15 119.3 0.05 . 1 . . . . 197 E N . 18815 1 908 . 1 1 206 206 CYS H H 1 8.745 0.05 . 1 . . . . 198 C H . 18815 1 909 . 1 1 206 206 CYS C C 13 176.5 0.05 . 1 . . . . 198 C C . 18815 1 910 . 1 1 206 206 CYS CA C 13 63.91 0.05 . 1 . . . . 198 C CA . 18815 1 911 . 1 1 206 206 CYS CB C 13 27.47 0.05 . 1 . . . . 198 C CB . 18815 1 912 . 1 1 206 206 CYS N N 15 120.4 0.05 . 1 . . . . 198 C N . 18815 1 913 . 1 1 207 207 ARG H H 1 9.054 0.05 . 1 . . . . 199 R H . 18815 1 914 . 1 1 207 207 ARG C C 13 180.5 0.05 . 1 . . . . 199 R C . 18815 1 915 . 1 1 207 207 ARG CA C 13 61.15 0.05 . 1 . . . . 199 R CA . 18815 1 916 . 1 1 207 207 ARG CB C 13 28.74 0.05 . 1 . . . . 199 R CB . 18815 1 917 . 1 1 207 207 ARG N N 15 121.1 0.05 . 1 . . . . 199 R N . 18815 1 918 . 1 1 208 208 ASN H H 1 7.976 0.05 . 1 . . . . 200 N H . 18815 1 919 . 1 1 208 208 ASN C C 13 178.4 0.05 . 1 . . . . 200 N C . 18815 1 920 . 1 1 208 208 ASN CA C 13 56.06 0.05 . 1 . . . . 200 N CA . 18815 1 921 . 1 1 208 208 ASN CB C 13 37.65 0.05 . 1 . . . . 200 N CB . 18815 1 922 . 1 1 208 208 ASN N N 15 117.5 0.05 . 1 . . . . 200 N N . 18815 1 923 . 1 1 209 209 ALA H H 1 7.691 0.05 . 1 . . . . 201 A H . 18815 1 924 . 1 1 209 209 ALA C C 13 178.7 0.05 . 1 . . . . 201 A C . 18815 1 925 . 1 1 209 209 ALA CA C 13 54.18 0.05 . 1 . . . . 201 A CA . 18815 1 926 . 1 1 209 209 ALA CB C 13 17.49 0.05 . 1 . . . . 201 A CB . 18815 1 927 . 1 1 209 209 ALA N N 15 124.3 0.05 . 1 . . . . 201 A N . 18815 1 928 . 1 1 210 210 MET H H 1 7.282 0.05 . 1 . . . . 202 M H . 18815 1 929 . 1 1 210 210 MET C C 13 176.8 0.05 . 1 . . . . 202 M C . 18815 1 930 . 1 1 210 210 MET CA C 13 55.52 0.05 . 1 . . . . 202 M CA . 18815 1 931 . 1 1 210 210 MET CB C 13 33.20 0.05 . 1 . . . . 202 M CB . 18815 1 932 . 1 1 210 210 MET N N 15 114.6 0.05 . 1 . . . . 202 M N . 18815 1 933 . 1 1 211 211 ARG H H 1 7.071 0.05 . 1 . . . . 203 R H . 18815 1 934 . 1 1 211 211 ARG C C 13 176.2 0.05 . 1 . . . . 203 R C . 18815 1 935 . 1 1 211 211 ARG CA C 13 58.49 0.05 . 1 . . . . 203 R CA . 18815 1 936 . 1 1 211 211 ARG CB C 13 28.69 0.05 . 1 . . . . 203 R CB . 18815 1 937 . 1 1 211 211 ARG N N 15 119.3 0.05 . 1 . . . . 203 R N . 18815 1 938 . 1 1 212 212 HIS H H 1 8.762 0.05 . 1 . . . . 204 H H . 18815 1 939 . 1 1 212 212 HIS C C 13 174.8 0.05 . 1 . . . . 204 H C . 18815 1 940 . 1 1 212 212 HIS CA C 13 55.30 0.05 . 1 . . . . 204 H CA . 18815 1 941 . 1 1 212 212 HIS CB C 13 28.60 0.05 . 1 . . . . 204 H CB . 18815 1 942 . 1 1 212 212 HIS N N 15 116.7 0.05 . 1 . . . . 204 H N . 18815 1 943 . 1 1 213 213 LEU H H 1 7.753 0.05 . 1 . . . . 205 L H . 18815 1 944 . 1 1 213 213 LEU C C 13 175.7 0.05 . 1 . . . . 205 L C . 18815 1 945 . 1 1 213 213 LEU CA C 13 53.07 0.05 . 1 . . . . 205 L CA . 18815 1 946 . 1 1 213 213 LEU CB C 13 42.21 0.05 . 1 . . . . 205 L CB . 18815 1 947 . 1 1 213 213 LEU N N 15 122.2 0.05 . 1 . . . . 205 L N . 18815 1 948 . 1 1 214 214 ARG H H 1 9.347 0.05 . 1 . . . . 206 R H . 18815 1 949 . 1 1 214 214 ARG C C 13 175.4 0.05 . 1 . . . . 206 R C . 18815 1 950 . 1 1 214 214 ARG CA C 13 52.36 0.05 . 1 . . . . 206 R CA . 18815 1 951 . 1 1 214 214 ARG CB C 13 29.47 0.05 . 1 . . . . 206 R CB . 18815 1 952 . 1 1 214 214 ARG N N 15 121.4 0.05 . 1 . . . . 206 R N . 18815 1 953 . 1 1 215 215 PRO C C 13 177.1 0.05 . 1 . . . . 207 P C . 18815 1 954 . 1 1 215 215 PRO CA C 13 65.57 0.05 . 1 . . . . 207 P CA . 18815 1 955 . 1 1 215 215 PRO CB C 13 30.68 0.05 . 1 . . . . 207 P CB . 18815 1 956 . 1 1 216 216 GLU H H 1 8.686 0.05 . 1 . . . . 208 E H . 18815 1 957 . 1 1 216 216 GLU C C 13 177.8 0.05 . 1 . . . . 208 E C . 18815 1 958 . 1 1 216 216 GLU CA C 13 57.16 0.05 . 1 . . . . 208 E CA . 18815 1 959 . 1 1 216 216 GLU CB C 13 27.59 0.05 . 1 . . . . 208 E CB . 18815 1 960 . 1 1 216 216 GLU N N 15 110.9 0.05 . 1 . . . . 208 E N . 18815 1 961 . 1 1 217 217 ASP H H 1 7.646 0.05 . 1 . . . . 209 D H . 18815 1 962 . 1 1 217 217 ASP C C 13 175.6 0.05 . 1 . . . . 209 D C . 18815 1 963 . 1 1 217 217 ASP CA C 13 55.85 0.05 . 1 . . . . 209 D CA . 18815 1 964 . 1 1 217 217 ASP CB C 13 40.44 0.05 . 1 . . . . 209 D CB . 18815 1 965 . 1 1 217 217 ASP N N 15 122.5 0.05 . 1 . . . . 209 D N . 18815 1 966 . 1 1 218 218 THR H H 1 8.352 0.05 . 1 . . . . 210 T H . 18815 1 967 . 1 1 218 218 THR C C 13 175.9 0.05 . 1 . . . . 210 T C . 18815 1 968 . 1 1 218 218 THR CA C 13 61.60 0.05 . 1 . . . . 210 T CA . 18815 1 969 . 1 1 218 218 THR CB C 13 70.62 0.05 . 1 . . . . 210 T CB . 18815 1 970 . 1 1 218 218 THR N N 15 109.9 0.05 . 1 . . . . 210 T N . 18815 1 971 . 1 1 219 219 LEU H H 1 8.642 0.05 . 1 . . . . 211 L H . 18815 1 972 . 1 1 219 219 LEU C C 13 179.4 0.05 . 1 . . . . 211 L C . 18815 1 973 . 1 1 219 219 LEU CA C 13 57.27 0.05 . 1 . . . . 211 L CA . 18815 1 974 . 1 1 219 219 LEU CB C 13 40.59 0.05 . 1 . . . . 211 L CB . 18815 1 975 . 1 1 219 219 LEU N N 15 122.0 0.05 . 1 . . . . 211 L N . 18815 1 976 . 1 1 220 220 GLU H H 1 8.643 0.05 . 1 . . . . 212 E H . 18815 1 977 . 1 1 220 220 GLU C C 13 179.6 0.05 . 1 . . . . 212 E C . 18815 1 978 . 1 1 220 220 GLU CA C 13 60.21 0.05 . 1 . . . . 212 E CA . 18815 1 979 . 1 1 220 220 GLU CB C 13 28.09 0.05 . 1 . . . . 212 E CB . 18815 1 980 . 1 1 220 220 GLU N N 15 118.0 0.05 . 1 . . . . 212 E N . 18815 1 981 . 1 1 221 221 GLU H H 1 7.847 0.05 . 1 . . . . 213 E H . 18815 1 982 . 1 1 221 221 GLU C C 13 179.8 0.05 . 1 . . . . 213 E C . 18815 1 983 . 1 1 221 221 GLU CA C 13 59.26 0.05 . 1 . . . . 213 E CA . 18815 1 984 . 1 1 221 221 GLU CB C 13 28.83 0.05 . 1 . . . . 213 E CB . 18815 1 985 . 1 1 221 221 GLU N N 15 121.7 0.05 . 1 . . . . 213 E N . 18815 1 986 . 1 1 222 222 LYS H H 1 7.872 0.05 . 1 . . . . 214 K H . 18815 1 987 . 1 1 222 222 LYS C C 13 177.6 0.05 . 1 . . . . 214 K C . 18815 1 988 . 1 1 222 222 LYS CA C 13 59.98 0.05 . 1 . . . . 214 K CA . 18815 1 989 . 1 1 222 222 LYS CB C 13 31.53 0.05 . 1 . . . . 214 K CB . 18815 1 990 . 1 1 222 222 LYS N N 15 123.5 0.05 . 1 . . . . 214 K N . 18815 1 991 . 1 1 223 223 MET H H 1 8.811 0.05 . 1 . . . . 215 M H . 18815 1 992 . 1 1 223 223 MET C C 13 179.9 0.05 . 1 . . . . 215 M C . 18815 1 993 . 1 1 223 223 MET CA C 13 58.94 0.05 . 1 . . . . 215 M CA . 18815 1 994 . 1 1 223 223 MET CB C 13 31.70 0.05 . 1 . . . . 215 M CB . 18815 1 995 . 1 1 223 223 MET N N 15 116.4 0.05 . 1 . . . . 215 M N . 18815 1 996 . 1 1 224 224 TYR H H 1 8.284 0.05 . 1 . . . . 216 Y H . 18815 1 997 . 1 1 224 224 TYR C C 13 179.2 0.05 . 1 . . . . 216 Y C . 18815 1 998 . 1 1 224 224 TYR CA C 13 61.21 0.05 . 1 . . . . 216 Y CA . 18815 1 999 . 1 1 224 224 TYR CB C 13 37.34 0.05 . 1 . . . . 216 Y CB . 18815 1 1000 . 1 1 224 224 TYR N N 15 121.1 0.05 . 1 . . . . 216 Y N . 18815 1 1001 . 1 1 225 225 ALA H H 1 7.979 0.05 . 1 . . . . 217 A H . 18815 1 1002 . 1 1 225 225 ALA C C 13 179.5 0.05 . 1 . . . . 217 A C . 18815 1 1003 . 1 1 225 225 ALA CA C 13 54.33 0.05 . 1 . . . . 217 A CA . 18815 1 1004 . 1 1 225 225 ALA CB C 13 17.36 0.05 . 1 . . . . 217 A CB . 18815 1 1005 . 1 1 225 225 ALA N N 15 122.3 0.05 . 1 . . . . 217 A N . 18815 1 1006 . 1 1 226 226 CYS H H 1 6.959 0.05 . 1 . . . . 218 C H . 18815 1 1007 . 1 1 226 226 CYS C C 13 176.1 0.05 . 1 . . . . 218 C C . 18815 1 1008 . 1 1 226 226 CYS CA C 13 58.93 0.05 . 1 . . . . 218 C CA . 18815 1 1009 . 1 1 226 226 CYS CB C 13 27.64 0.05 . 1 . . . . 218 C CB . 18815 1 1010 . 1 1 226 226 CYS N N 15 113.0 0.05 . 1 . . . . 218 C N . 18815 1 1011 . 1 1 227 227 ARG H H 1 7.213 0.05 . 1 . . . . 219 R H . 18815 1 1012 . 1 1 227 227 ARG C C 13 176.1 0.05 . 1 . . . . 219 R C . 18815 1 1013 . 1 1 227 227 ARG CA C 13 58.39 0.05 . 1 . . . . 219 R CA . 18815 1 1014 . 1 1 227 227 ARG CB C 13 28.55 0.05 . 1 . . . . 219 R CB . 18815 1 1015 . 1 1 227 227 ARG N N 15 122.2 0.05 . 1 . . . . 219 R N . 18815 1 1016 . 1 1 228 228 ASP H H 1 8.451 0.05 . 1 . . . . 220 D H . 18815 1 1017 . 1 1 228 228 ASP C C 13 176.2 0.05 . 1 . . . . 220 D C . 18815 1 1018 . 1 1 228 228 ASP CA C 13 54.10 0.05 . 1 . . . . 220 D CA . 18815 1 1019 . 1 1 228 228 ASP CB C 13 40.19 0.05 . 1 . . . . 220 D CB . 18815 1 1020 . 1 1 228 228 ASP N N 15 119.0 0.05 . 1 . . . . 220 D N . 18815 1 1021 . 1 1 229 229 ILE H H 1 7.450 0.05 . 1 . . . . 221 I H . 18815 1 1022 . 1 1 229 229 ILE C C 13 177.4 0.05 . 1 . . . . 221 I C . 18815 1 1023 . 1 1 229 229 ILE CA C 13 60.93 0.05 . 1 . . . . 221 I CA . 18815 1 1024 . 1 1 229 229 ILE CB C 13 35.71 0.05 . 1 . . . . 221 I CB . 18815 1 1025 . 1 1 229 229 ILE N N 15 122.6 0.05 . 1 . . . . 221 I N . 18815 1 1026 . 1 1 230 230 GLY H H 1 8.766 0.05 . 1 . . . . 222 G H . 18815 1 1027 . 1 1 230 230 GLY C C 13 174.5 0.05 . 1 . . . . 222 G C . 18815 1 1028 . 1 1 230 230 GLY CA C 13 45.04 0.05 . 1 . . . . 222 G CA . 18815 1 1029 . 1 1 230 230 GLY N N 15 116.1 0.05 . 1 . . . . 222 G N . 18815 1 1030 . 1 1 231 231 THR H H 1 7.717 0.05 . 1 . . . . 223 T H . 18815 1 1031 . 1 1 231 231 THR C C 13 175.0 0.05 . 1 . . . . 223 T C . 18815 1 1032 . 1 1 231 231 THR CA C 13 61.27 0.05 . 1 . . . . 223 T CA . 18815 1 1033 . 1 1 231 231 THR CB C 13 69.58 0.05 . 1 . . . . 223 T CB . 18815 1 1034 . 1 1 231 231 THR N N 15 113.0 0.05 . 1 . . . . 223 T N . 18815 1 1035 . 1 1 232 232 THR H H 1 8.176 0.05 . 1 . . . . 224 T H . 18815 1 1036 . 1 1 232 232 THR C C 13 174.6 0.05 . 1 . . . . 224 T C . 18815 1 1037 . 1 1 232 232 THR CA C 13 61.79 0.05 . 1 . . . . 224 T CA . 18815 1 1038 . 1 1 232 232 THR CB C 13 69.23 0.05 . 1 . . . . 224 T CB . 18815 1 1039 . 1 1 232 232 THR N N 15 117.1 0.05 . 1 . . . . 224 T N . 18815 1 1040 . 1 1 233 233 LYS H H 1 8.264 0.05 . 1 . . . . 225 K H . 18815 1 1041 . 1 1 233 233 LYS C C 13 176.5 0.05 . 1 . . . . 225 K C . 18815 1 1042 . 1 1 233 233 LYS CA C 13 55.93 0.05 . 1 . . . . 225 K CA . 18815 1 1043 . 1 1 233 233 LYS CB C 13 31.93 0.05 . 1 . . . . 225 K CB . 18815 1 1044 . 1 1 233 233 LYS N N 15 124.6 0.05 . 1 . . . . 225 K N . 18815 1 1045 . 1 1 234 234 GLN H H 1 8.234 0.05 . 1 . . . . 226 Q H . 18815 1 1046 . 1 1 234 234 GLN C C 13 175.8 0.05 . 1 . . . . 226 Q C . 18815 1 1047 . 1 1 234 234 GLN CA C 13 55.54 0.05 . 1 . . . . 226 Q CA . 18815 1 1048 . 1 1 234 234 GLN CB C 13 28.72 0.05 . 1 . . . . 226 Q CB . 18815 1 1049 . 1 1 234 234 GLN N N 15 122.3 0.05 . 1 . . . . 226 Q N . 18815 1 1050 . 1 1 235 235 LYS H H 1 8.272 0.05 . 1 . . . . 227 K H . 18815 1 1051 . 1 1 235 235 LYS C C 13 176.3 0.05 . 1 . . . . 227 K C . 18815 1 1052 . 1 1 235 235 LYS CA C 13 55.94 0.05 . 1 . . . . 227 K CA . 18815 1 1053 . 1 1 235 235 LYS CB C 13 32.13 0.05 . 1 . . . . 227 K CB . 18815 1 1054 . 1 1 235 235 LYS N N 15 123.8 0.05 . 1 . . . . 227 K N . 18815 1 1055 . 1 1 236 236 MET H H 1 8.344 0.05 . 1 . . . . 228 M H . 18815 1 1056 . 1 1 236 236 MET C C 13 175.3 0.05 . 1 . . . . 228 M C . 18815 1 1057 . 1 1 236 236 MET CA C 13 55.04 0.05 . 1 . . . . 228 M CA . 18815 1 1058 . 1 1 236 236 MET CB C 13 31.99 0.05 . 1 . . . . 228 M CB . 18815 1 1059 . 1 1 236 236 MET N N 15 123.2 0.05 . 1 . . . . 228 M N . 18815 1 1060 . 1 1 237 237 MET H H 1 7.850 0.05 . 1 . . . . 229 M H . 18815 1 1061 . 1 1 237 237 MET C C 13 180.7 0.05 . 1 . . . . 229 M C . 18815 1 1062 . 1 1 237 237 MET CA C 13 56.55 0.05 . 1 . . . . 229 M CA . 18815 1 1063 . 1 1 237 237 MET CB C 13 32.90 0.05 . 1 . . . . 229 M CB . 18815 1 1064 . 1 1 237 237 MET N N 15 127.2 0.05 . 1 . . . . 229 M N . 18815 1 stop_ save_