data_53423 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53423 _Entry.Title ; Assignment of methyl group resonances of anti-LAMP1 Fab ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-06 _Entry.Accession_date 2025-11-06 _Entry.Last_release_date 2025-11-06 _Entry.Original_release_date 2025-11-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Faustine Henot . . . . 53423 2 Beatrice Vibert . . . . 53423 3 Jerome Boisbouvier . . . . 53423 4 Oriane Frances . . . . 53423 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53423 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 125 53423 '1H chemical shifts' 375 53423 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 . . 2025-11-14 . original BMRB . 53423 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53420 'Chemical Shift Assignment of ipilimumab variable light domain (VL)' 53423 BMRB 53421 'Assignment of methyl group resonances of the Single chain Fragment variable (ScFv) from ipilimumab' 53423 BMRB 53422 'Assignment of methyl group resonances of Fab fragment from ipilimumab' 53423 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53423 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A fast and efficient strategy for the NMR assignment of Fab methyl groups ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Faustine Henot . . . . 53423 1 2 Beatrice Vibert . . . . 53423 1 3 Arthur Giraud . . . . 53423 1 4 Sarra Dbira . . . . 53423 1 5 Lionel Imbert . . . . 53423 1 6 Adrien Favier . . . . 53423 1 7 Peter Guntert . . . . 53423 1 8 Severine Clavier . . . . 53423 1 9 Elodie Crublet . . . . 53423 1 10 Camille Doyen . . . . 53423 1 11 Jerome Boisbouvier . . . . 53423 1 12 Oriane Frances . . . . 53423 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cell-free 53423 1 'IgG1 Fab' 53423 1 'Isotope labelling' 53423 1 'Methyl groups' 53423 1 'NMR assignment' 53423 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53423 _Assembly.ID 1 _Assembly.Name 'Fab fragment from anti-LAMP1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 LC 1 $entity_1 . . yes native no no . . . 53423 1 2 HC 2 $entity_2 . . yes native no no . . . 53423 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 114 114 SG . . . 23 CYS SG . . . 88 CYS SG 53423 1 2 disulfide single . 1 . 1 CYS 159 159 SG . 1 . 1 CYS 219 219 SG . . . 133 CYS SG . . . 193 CYS SG 53423 1 3 disulfide single . 2 . 2 CYS 59 59 SG . 2 . 2 CYS 133 133 SG . . . 22 CYS SG . . . 96 CYS SG 53423 1 4 disulfide single . 2 . 2 CYS 182 182 SG . 2 . 2 CYS 238 238 SG . . . 145 CYS SG . . . 201 CYS SG 53423 1 5 disulfide single . 2 . 2 CYS 258 258 SG . 1 . 1 CYS 239 239 SG . . . 221 CYS SG . . . 213 CYS SG 53423 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53423 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MSGSHHHHHHSSGIEGRGRE NLYFQGDIQMTQSPSSLSAS VGDRVTITCKASQDIDRYMA WYQDKPGKAPRLLIHDTSTL QSGVPSRFSGSGSGRDYTLT ISNLEPEDFATYYCLQYDNL WTFGGGTKVEIKRTVAAPSV FIFPPSDEQLKSGTASVVCL LNNFYPREAKVQWKVDNALQ SGNSQESVTEQDSKDSTYSL SSTLTLSKADYEKHKVYACE VTHQGLSSPVTKSFNRGEC ; _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 239 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'LC Fab anti-LAMP1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -25 MET . 53423 1 2 -24 SER . 53423 1 3 -23 GLY . 53423 1 4 -22 SER . 53423 1 5 -21 HIS . 53423 1 6 -20 HIS . 53423 1 7 -19 HIS . 53423 1 8 -18 HIS . 53423 1 9 -17 HIS . 53423 1 10 -16 HIS . 53423 1 11 -15 SER . 53423 1 12 -14 SER . 53423 1 13 -13 GLY . 53423 1 14 -12 ILE . 53423 1 15 -11 GLU . 53423 1 16 -10 GLY . 53423 1 17 -9 ARG . 53423 1 18 -8 GLY . 53423 1 19 -7 ARG . 53423 1 20 -6 GLU . 53423 1 21 -5 ASN . 53423 1 22 -4 LEU . 53423 1 23 -3 TYR . 53423 1 24 -2 PHE . 53423 1 25 -1 GLN . 53423 1 26 0 GLY . 53423 1 27 1 ASP . 53423 1 28 2 ILE . 53423 1 29 3 GLN . 53423 1 30 4 MET . 53423 1 31 5 THR . 53423 1 32 6 GLN . 53423 1 33 7 SER . 53423 1 34 8 PRO . 53423 1 35 9 SER . 53423 1 36 10 SER . 53423 1 37 11 LEU . 53423 1 38 12 SER . 53423 1 39 13 ALA . 53423 1 40 14 SER . 53423 1 41 15 VAL . 53423 1 42 16 GLY . 53423 1 43 17 ASP . 53423 1 44 18 ARG . 53423 1 45 19 VAL . 53423 1 46 20 THR . 53423 1 47 21 ILE . 53423 1 48 22 THR . 53423 1 49 23 CYS . 53423 1 50 24 LYS . 53423 1 51 25 ALA . 53423 1 52 26 SER . 53423 1 53 27 GLN . 53423 1 54 28 ASP . 53423 1 55 29 ILE . 53423 1 56 30 ASP . 53423 1 57 31 ARG . 53423 1 58 32 TYR . 53423 1 59 33 MET . 53423 1 60 34 ALA . 53423 1 61 35 TRP . 53423 1 62 36 TYR . 53423 1 63 37 GLN . 53423 1 64 38 ASP . 53423 1 65 39 LYS . 53423 1 66 40 PRO . 53423 1 67 41 GLY . 53423 1 68 42 LYS . 53423 1 69 43 ALA . 53423 1 70 44 PRO . 53423 1 71 45 ARG . 53423 1 72 46 LEU . 53423 1 73 47 LEU . 53423 1 74 48 ILE . 53423 1 75 49 HIS . 53423 1 76 50 ASP . 53423 1 77 51 THR . 53423 1 78 52 SER . 53423 1 79 53 THR . 53423 1 80 54 LEU . 53423 1 81 55 GLN . 53423 1 82 56 SER . 53423 1 83 57 GLY . 53423 1 84 58 VAL . 53423 1 85 59 PRO . 53423 1 86 60 SER . 53423 1 87 61 ARG . 53423 1 88 62 PHE . 53423 1 89 63 SER . 53423 1 90 64 GLY . 53423 1 91 65 SER . 53423 1 92 66 GLY . 53423 1 93 67 SER . 53423 1 94 68 GLY . 53423 1 95 69 ARG . 53423 1 96 70 ASP . 53423 1 97 71 TYR . 53423 1 98 72 THR . 53423 1 99 73 LEU . 53423 1 100 74 THR . 53423 1 101 75 ILE . 53423 1 102 76 SER . 53423 1 103 77 ASN . 53423 1 104 78 LEU . 53423 1 105 79 GLU . 53423 1 106 80 PRO . 53423 1 107 81 GLU . 53423 1 108 82 ASP . 53423 1 109 83 PHE . 53423 1 110 84 ALA . 53423 1 111 85 THR . 53423 1 112 86 TYR . 53423 1 113 87 TYR . 53423 1 114 88 CYS . 53423 1 115 89 LEU . 53423 1 116 90 GLN . 53423 1 117 91 TYR . 53423 1 118 92 ASP . 53423 1 119 93 ASN . 53423 1 120 94 LEU . 53423 1 121 95 TRP . 53423 1 122 96 THR . 53423 1 123 97 PHE . 53423 1 124 98 GLY . 53423 1 125 99 GLY . 53423 1 126 100 GLY . 53423 1 127 101 THR . 53423 1 128 102 LYS . 53423 1 129 103 VAL . 53423 1 130 104 GLU . 53423 1 131 105 ILE . 53423 1 132 106 LYS . 53423 1 133 107 ARG . 53423 1 134 108 THR . 53423 1 135 109 VAL . 53423 1 136 110 ALA . 53423 1 137 111 ALA . 53423 1 138 112 PRO . 53423 1 139 113 SER . 53423 1 140 114 VAL . 53423 1 141 115 PHE . 53423 1 142 116 ILE . 53423 1 143 117 PHE . 53423 1 144 118 PRO . 53423 1 145 119 PRO . 53423 1 146 120 SER . 53423 1 147 121 ASP . 53423 1 148 122 GLU . 53423 1 149 123 GLN . 53423 1 150 124 LEU . 53423 1 151 125 LYS . 53423 1 152 126 SER . 53423 1 153 127 GLY . 53423 1 154 128 THR . 53423 1 155 129 ALA . 53423 1 156 130 SER . 53423 1 157 131 VAL . 53423 1 158 132 VAL . 53423 1 159 133 CYS . 53423 1 160 134 LEU . 53423 1 161 135 LEU . 53423 1 162 136 ASN . 53423 1 163 137 ASN . 53423 1 164 138 PHE . 53423 1 165 139 TYR . 53423 1 166 140 PRO . 53423 1 167 141 ARG . 53423 1 168 142 GLU . 53423 1 169 143 ALA . 53423 1 170 144 LYS . 53423 1 171 145 VAL . 53423 1 172 146 GLN . 53423 1 173 147 TRP . 53423 1 174 148 LYS . 53423 1 175 149 VAL . 53423 1 176 150 ASP . 53423 1 177 151 ASN . 53423 1 178 152 ALA . 53423 1 179 153 LEU . 53423 1 180 154 GLN . 53423 1 181 155 SER . 53423 1 182 156 GLY . 53423 1 183 157 ASN . 53423 1 184 158 SER . 53423 1 185 159 GLN . 53423 1 186 160 GLU . 53423 1 187 161 SER . 53423 1 188 162 VAL . 53423 1 189 163 THR . 53423 1 190 164 GLU . 53423 1 191 165 GLN . 53423 1 192 166 ASP . 53423 1 193 167 SER . 53423 1 194 168 LYS . 53423 1 195 169 ASP . 53423 1 196 170 SER . 53423 1 197 171 THR . 53423 1 198 172 TYR . 53423 1 199 173 SER . 53423 1 200 174 LEU . 53423 1 201 175 SER . 53423 1 202 176 SER . 53423 1 203 177 THR . 53423 1 204 178 LEU . 53423 1 205 179 THR . 53423 1 206 180 LEU . 53423 1 207 181 SER . 53423 1 208 182 LYS . 53423 1 209 183 ALA . 53423 1 210 184 ASP . 53423 1 211 185 TYR . 53423 1 212 186 GLU . 53423 1 213 187 LYS . 53423 1 214 188 HIS . 53423 1 215 189 LYS . 53423 1 216 190 VAL . 53423 1 217 191 TYR . 53423 1 218 192 ALA . 53423 1 219 193 CYS . 53423 1 220 194 GLU . 53423 1 221 195 VAL . 53423 1 222 196 THR . 53423 1 223 197 HIS . 53423 1 224 198 GLN . 53423 1 225 199 GLY . 53423 1 226 200 LEU . 53423 1 227 201 SER . 53423 1 228 202 SER . 53423 1 229 203 PRO . 53423 1 230 204 VAL . 53423 1 231 205 THR . 53423 1 232 206 LYS . 53423 1 233 207 SER . 53423 1 234 208 PHE . 53423 1 235 209 ASN . 53423 1 236 210 ARG . 53423 1 237 211 GLY . 53423 1 238 212 GLU . 53423 1 239 213 CYS . 53423 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53423 1 . SER 2 2 53423 1 . GLY 3 3 53423 1 . SER 4 4 53423 1 . HIS 5 5 53423 1 . HIS 6 6 53423 1 . HIS 7 7 53423 1 . HIS 8 8 53423 1 . HIS 9 9 53423 1 . HIS 10 10 53423 1 . SER 11 11 53423 1 . SER 12 12 53423 1 . GLY 13 13 53423 1 . ILE 14 14 53423 1 . GLU 15 15 53423 1 . GLY 16 16 53423 1 . ARG 17 17 53423 1 . GLY 18 18 53423 1 . ARG 19 19 53423 1 . GLU 20 20 53423 1 . ASN 21 21 53423 1 . LEU 22 22 53423 1 . TYR 23 23 53423 1 . PHE 24 24 53423 1 . GLN 25 25 53423 1 . GLY 26 26 53423 1 . ASP 27 27 53423 1 . ILE 28 28 53423 1 . GLN 29 29 53423 1 . MET 30 30 53423 1 . THR 31 31 53423 1 . GLN 32 32 53423 1 . SER 33 33 53423 1 . PRO 34 34 53423 1 . SER 35 35 53423 1 . SER 36 36 53423 1 . LEU 37 37 53423 1 . SER 38 38 53423 1 . ALA 39 39 53423 1 . SER 40 40 53423 1 . VAL 41 41 53423 1 . GLY 42 42 53423 1 . ASP 43 43 53423 1 . ARG 44 44 53423 1 . VAL 45 45 53423 1 . THR 46 46 53423 1 . ILE 47 47 53423 1 . THR 48 48 53423 1 . CYS 49 49 53423 1 . LYS 50 50 53423 1 . ALA 51 51 53423 1 . SER 52 52 53423 1 . GLN 53 53 53423 1 . ASP 54 54 53423 1 . ILE 55 55 53423 1 . ASP 56 56 53423 1 . ARG 57 57 53423 1 . TYR 58 58 53423 1 . MET 59 59 53423 1 . ALA 60 60 53423 1 . TRP 61 61 53423 1 . TYR 62 62 53423 1 . GLN 63 63 53423 1 . ASP 64 64 53423 1 . LYS 65 65 53423 1 . PRO 66 66 53423 1 . GLY 67 67 53423 1 . LYS 68 68 53423 1 . ALA 69 69 53423 1 . PRO 70 70 53423 1 . ARG 71 71 53423 1 . LEU 72 72 53423 1 . LEU 73 73 53423 1 . ILE 74 74 53423 1 . HIS 75 75 53423 1 . ASP 76 76 53423 1 . THR 77 77 53423 1 . SER 78 78 53423 1 . THR 79 79 53423 1 . LEU 80 80 53423 1 . GLN 81 81 53423 1 . SER 82 82 53423 1 . GLY 83 83 53423 1 . VAL 84 84 53423 1 . PRO 85 85 53423 1 . SER 86 86 53423 1 . ARG 87 87 53423 1 . PHE 88 88 53423 1 . SER 89 89 53423 1 . GLY 90 90 53423 1 . SER 91 91 53423 1 . GLY 92 92 53423 1 . SER 93 93 53423 1 . GLY 94 94 53423 1 . ARG 95 95 53423 1 . ASP 96 96 53423 1 . TYR 97 97 53423 1 . THR 98 98 53423 1 . LEU 99 99 53423 1 . THR 100 100 53423 1 . ILE 101 101 53423 1 . SER 102 102 53423 1 . ASN 103 103 53423 1 . LEU 104 104 53423 1 . GLU 105 105 53423 1 . PRO 106 106 53423 1 . GLU 107 107 53423 1 . ASP 108 108 53423 1 . PHE 109 109 53423 1 . ALA 110 110 53423 1 . THR 111 111 53423 1 . TYR 112 112 53423 1 . TYR 113 113 53423 1 . CYS 114 114 53423 1 . LEU 115 115 53423 1 . GLN 116 116 53423 1 . TYR 117 117 53423 1 . ASP 118 118 53423 1 . ASN 119 119 53423 1 . LEU 120 120 53423 1 . TRP 121 121 53423 1 . THR 122 122 53423 1 . PHE 123 123 53423 1 . GLY 124 124 53423 1 . GLY 125 125 53423 1 . GLY 126 126 53423 1 . THR 127 127 53423 1 . LYS 128 128 53423 1 . VAL 129 129 53423 1 . GLU 130 130 53423 1 . ILE 131 131 53423 1 . LYS 132 132 53423 1 . ARG 133 133 53423 1 . THR 134 134 53423 1 . VAL 135 135 53423 1 . ALA 136 136 53423 1 . ALA 137 137 53423 1 . PRO 138 138 53423 1 . SER 139 139 53423 1 . VAL 140 140 53423 1 . PHE 141 141 53423 1 . ILE 142 142 53423 1 . PHE 143 143 53423 1 . PRO 144 144 53423 1 . PRO 145 145 53423 1 . SER 146 146 53423 1 . ASP 147 147 53423 1 . GLU 148 148 53423 1 . GLN 149 149 53423 1 . LEU 150 150 53423 1 . LYS 151 151 53423 1 . SER 152 152 53423 1 . GLY 153 153 53423 1 . THR 154 154 53423 1 . ALA 155 155 53423 1 . SER 156 156 53423 1 . VAL 157 157 53423 1 . VAL 158 158 53423 1 . CYS 159 159 53423 1 . LEU 160 160 53423 1 . LEU 161 161 53423 1 . ASN 162 162 53423 1 . ASN 163 163 53423 1 . PHE 164 164 53423 1 . TYR 165 165 53423 1 . PRO 166 166 53423 1 . ARG 167 167 53423 1 . GLU 168 168 53423 1 . ALA 169 169 53423 1 . LYS 170 170 53423 1 . VAL 171 171 53423 1 . GLN 172 172 53423 1 . TRP 173 173 53423 1 . LYS 174 174 53423 1 . VAL 175 175 53423 1 . ASP 176 176 53423 1 . ASN 177 177 53423 1 . ALA 178 178 53423 1 . LEU 179 179 53423 1 . GLN 180 180 53423 1 . SER 181 181 53423 1 . GLY 182 182 53423 1 . ASN 183 183 53423 1 . SER 184 184 53423 1 . GLN 185 185 53423 1 . GLU 186 186 53423 1 . SER 187 187 53423 1 . VAL 188 188 53423 1 . THR 189 189 53423 1 . GLU 190 190 53423 1 . GLN 191 191 53423 1 . ASP 192 192 53423 1 . SER 193 193 53423 1 . LYS 194 194 53423 1 . ASP 195 195 53423 1 . SER 196 196 53423 1 . THR 197 197 53423 1 . TYR 198 198 53423 1 . SER 199 199 53423 1 . LEU 200 200 53423 1 . SER 201 201 53423 1 . SER 202 202 53423 1 . THR 203 203 53423 1 . LEU 204 204 53423 1 . THR 205 205 53423 1 . LEU 206 206 53423 1 . SER 207 207 53423 1 . LYS 208 208 53423 1 . ALA 209 209 53423 1 . ASP 210 210 53423 1 . TYR 211 211 53423 1 . GLU 212 212 53423 1 . LYS 213 213 53423 1 . HIS 214 214 53423 1 . LYS 215 215 53423 1 . VAL 216 216 53423 1 . TYR 217 217 53423 1 . ALA 218 218 53423 1 . CYS 219 219 53423 1 . GLU 220 220 53423 1 . VAL 221 221 53423 1 . THR 222 222 53423 1 . HIS 223 223 53423 1 . GLN 224 224 53423 1 . GLY 225 225 53423 1 . LEU 226 226 53423 1 . SER 227 227 53423 1 . SER 228 228 53423 1 . PRO 229 229 53423 1 . VAL 230 230 53423 1 . THR 231 231 53423 1 . LYS 232 232 53423 1 . SER 233 233 53423 1 . PHE 234 234 53423 1 . ASN 235 235 53423 1 . ARG 236 236 53423 1 . GLY 237 237 53423 1 . GLU 238 238 53423 1 . CYS 239 239 53423 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 53423 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; MGWSHPQFEKGGGSGGGSGG SAWSHPQFEKENLYFQGQVQ LVQSGAEVKKPGSSVKVSCK ASGYIFTNYNIHWVKKSPGQ GLEWIGAIYPGNGDAPYSQK FQGKATLTADTSTSTTYMEL SSLRSEDTAVYYCVRANWDV AFAYWGQGTLVTVSSASTKG PSVFPLAPSSKSTSGGTAAL GCLVKDYFPEPVTVSWNSGA LTSGVHTFPAVLQSSGLYSL SSVVTVPSSSLGTQTYICNV NHKPSNTKVDKKVEPKSCDK THT ; _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 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'HC Fab anti-LAMP1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -36 MET . 53423 2 2 -35 GLY . 53423 2 3 -34 TRP . 53423 2 4 -33 SER . 53423 2 5 -32 HIS . 53423 2 6 -31 PRO . 53423 2 7 -30 GLN . 53423 2 8 -29 PHE . 53423 2 9 -28 GLU . 53423 2 10 -27 LYS . 53423 2 11 -26 GLY . 53423 2 12 -25 GLY . 53423 2 13 -24 GLY . 53423 2 14 -23 SER . 53423 2 15 -22 GLY . 53423 2 16 -21 GLY . 53423 2 17 -20 GLY . 53423 2 18 -19 SER . 53423 2 19 -18 GLY . 53423 2 20 -17 GLY . 53423 2 21 -16 SER . 53423 2 22 -15 ALA . 53423 2 23 -14 TRP . 53423 2 24 -13 SER . 53423 2 25 -12 HIS . 53423 2 26 -11 PRO . 53423 2 27 -10 GLN . 53423 2 28 -9 PHE . 53423 2 29 -8 GLU . 53423 2 30 -7 LYS . 53423 2 31 -6 GLU . 53423 2 32 -5 ASN . 53423 2 33 -4 LEU . 53423 2 34 -3 TYR . 53423 2 35 -2 PHE . 53423 2 36 -1 GLN . 53423 2 37 0 GLY . 53423 2 38 1 GLN . 53423 2 39 2 VAL . 53423 2 40 3 GLN . 53423 2 41 4 LEU . 53423 2 42 5 VAL . 53423 2 43 6 GLN . 53423 2 44 7 SER . 53423 2 45 8 GLY . 53423 2 46 9 ALA . 53423 2 47 10 GLU . 53423 2 48 11 VAL . 53423 2 49 12 LYS . 53423 2 50 13 LYS . 53423 2 51 14 PRO . 53423 2 52 15 GLY . 53423 2 53 16 SER . 53423 2 54 17 SER . 53423 2 55 18 VAL . 53423 2 56 19 LYS . 53423 2 57 20 VAL . 53423 2 58 21 SER . 53423 2 59 22 CYS . 53423 2 60 23 LYS . 53423 2 61 24 ALA . 53423 2 62 25 SER . 53423 2 63 26 GLY . 53423 2 64 27 TYR . 53423 2 65 28 ILE . 53423 2 66 29 PHE . 53423 2 67 30 THR . 53423 2 68 31 ASN . 53423 2 69 32 TYR . 53423 2 70 33 ASN . 53423 2 71 34 ILE . 53423 2 72 35 HIS . 53423 2 73 36 TRP . 53423 2 74 37 VAL . 53423 2 75 38 LYS . 53423 2 76 39 LYS . 53423 2 77 40 SER . 53423 2 78 41 PRO . 53423 2 79 42 GLY . 53423 2 80 43 GLN . 53423 2 81 44 GLY . 53423 2 82 45 LEU . 53423 2 83 46 GLU . 53423 2 84 47 TRP . 53423 2 85 48 ILE . 53423 2 86 49 GLY . 53423 2 87 50 ALA . 53423 2 88 51 ILE . 53423 2 89 52 TYR . 53423 2 90 53 PRO . 53423 2 91 54 GLY . 53423 2 92 55 ASN . 53423 2 93 56 GLY . 53423 2 94 57 ASP . 53423 2 95 58 ALA . 53423 2 96 59 PRO . 53423 2 97 60 TYR . 53423 2 98 61 SER . 53423 2 99 62 GLN . 53423 2 100 63 LYS . 53423 2 101 64 PHE . 53423 2 102 65 GLN . 53423 2 103 66 GLY . 53423 2 104 67 LYS . 53423 2 105 68 ALA . 53423 2 106 69 THR . 53423 2 107 70 LEU . 53423 2 108 71 THR . 53423 2 109 72 ALA . 53423 2 110 73 ASP . 53423 2 111 74 THR . 53423 2 112 75 SER . 53423 2 113 76 THR . 53423 2 114 77 SER . 53423 2 115 78 THR . 53423 2 116 79 THR . 53423 2 117 80 TYR . 53423 2 118 81 MET . 53423 2 119 82 GLU . 53423 2 120 83 LEU . 53423 2 121 84 SER . 53423 2 122 85 SER . 53423 2 123 86 LEU . 53423 2 124 87 ARG . 53423 2 125 88 SER . 53423 2 126 89 GLU . 53423 2 127 90 ASP . 53423 2 128 91 THR . 53423 2 129 92 ALA . 53423 2 130 93 VAL . 53423 2 131 94 TYR . 53423 2 132 95 TYR . 53423 2 133 96 CYS . 53423 2 134 97 VAL . 53423 2 135 98 ARG . 53423 2 136 99 ALA . 53423 2 137 100 ASN . 53423 2 138 101 TRP . 53423 2 139 102 ASP . 53423 2 140 103 VAL . 53423 2 141 104 ALA . 53423 2 142 105 PHE . 53423 2 143 106 ALA . 53423 2 144 107 TYR . 53423 2 145 108 TRP . 53423 2 146 109 GLY . 53423 2 147 110 GLN . 53423 2 148 111 GLY . 53423 2 149 112 THR . 53423 2 150 113 LEU . 53423 2 151 114 VAL . 53423 2 152 115 THR . 53423 2 153 116 VAL . 53423 2 154 117 SER . 53423 2 155 118 SER . 53423 2 156 119 ALA . 53423 2 157 120 SER . 53423 2 158 121 THR . 53423 2 159 122 LYS . 53423 2 160 123 GLY . 53423 2 161 124 PRO . 53423 2 162 125 SER . 53423 2 163 126 VAL . 53423 2 164 127 PHE . 53423 2 165 128 PRO . 53423 2 166 129 LEU . 53423 2 167 130 ALA . 53423 2 168 131 PRO . 53423 2 169 132 SER . 53423 2 170 133 SER . 53423 2 171 134 LYS . 53423 2 172 135 SER . 53423 2 173 136 THR . 53423 2 174 137 SER . 53423 2 175 138 GLY . 53423 2 176 139 GLY . 53423 2 177 140 THR . 53423 2 178 141 ALA . 53423 2 179 142 ALA . 53423 2 180 143 LEU . 53423 2 181 144 GLY . 53423 2 182 145 CYS . 53423 2 183 146 LEU . 53423 2 184 147 VAL . 53423 2 185 148 LYS . 53423 2 186 149 ASP . 53423 2 187 150 TYR . 53423 2 188 151 PHE . 53423 2 189 152 PRO . 53423 2 190 153 GLU . 53423 2 191 154 PRO . 53423 2 192 155 VAL . 53423 2 193 156 THR . 53423 2 194 157 VAL . 53423 2 195 158 SER . 53423 2 196 159 TRP . 53423 2 197 160 ASN . 53423 2 198 161 SER . 53423 2 199 162 GLY . 53423 2 200 163 ALA . 53423 2 201 164 LEU . 53423 2 202 165 THR . 53423 2 203 166 SER . 53423 2 204 167 GLY . 53423 2 205 168 VAL . 53423 2 206 169 HIS . 53423 2 207 170 THR . 53423 2 208 171 PHE . 53423 2 209 172 PRO . 53423 2 210 173 ALA . 53423 2 211 174 VAL . 53423 2 212 175 LEU . 53423 2 213 176 GLN . 53423 2 214 177 SER . 53423 2 215 178 SER . 53423 2 216 179 GLY . 53423 2 217 180 LEU . 53423 2 218 181 TYR . 53423 2 219 182 SER . 53423 2 220 183 LEU . 53423 2 221 184 SER . 53423 2 222 185 SER . 53423 2 223 186 VAL . 53423 2 224 187 VAL . 53423 2 225 188 THR . 53423 2 226 189 VAL . 53423 2 227 190 PRO . 53423 2 228 191 SER . 53423 2 229 192 SER . 53423 2 230 193 SER . 53423 2 231 194 LEU . 53423 2 232 195 GLY . 53423 2 233 196 THR . 53423 2 234 197 GLN . 53423 2 235 198 THR . 53423 2 236 199 TYR . 53423 2 237 200 ILE . 53423 2 238 201 CYS . 53423 2 239 202 ASN . 53423 2 240 203 VAL . 53423 2 241 204 ASN . 53423 2 242 205 HIS . 53423 2 243 206 LYS . 53423 2 244 207 PRO . 53423 2 245 208 SER . 53423 2 246 209 ASN . 53423 2 247 210 THR . 53423 2 248 211 LYS . 53423 2 249 212 VAL . 53423 2 250 213 ASP . 53423 2 251 214 LYS . 53423 2 252 215 LYS . 53423 2 253 216 VAL . 53423 2 254 217 GLU . 53423 2 255 218 PRO . 53423 2 256 219 LYS . 53423 2 257 220 SER . 53423 2 258 221 CYS . 53423 2 259 222 ASP . 53423 2 260 223 LYS . 53423 2 261 224 THR . 53423 2 262 225 HIS . 53423 2 263 226 THR . 53423 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53423 2 . GLY 2 2 53423 2 . TRP 3 3 53423 2 . SER 4 4 53423 2 . HIS 5 5 53423 2 . PRO 6 6 53423 2 . GLN 7 7 53423 2 . PHE 8 8 53423 2 . GLU 9 9 53423 2 . LYS 10 10 53423 2 . GLY 11 11 53423 2 . GLY 12 12 53423 2 . GLY 13 13 53423 2 . SER 14 14 53423 2 . GLY 15 15 53423 2 . GLY 16 16 53423 2 . GLY 17 17 53423 2 . SER 18 18 53423 2 . GLY 19 19 53423 2 . GLY 20 20 53423 2 . SER 21 21 53423 2 . ALA 22 22 53423 2 . TRP 23 23 53423 2 . SER 24 24 53423 2 . HIS 25 25 53423 2 . PRO 26 26 53423 2 . GLN 27 27 53423 2 . PHE 28 28 53423 2 . GLU 29 29 53423 2 . LYS 30 30 53423 2 . GLU 31 31 53423 2 . ASN 32 32 53423 2 . LEU 33 33 53423 2 . TYR 34 34 53423 2 . PHE 35 35 53423 2 . GLN 36 36 53423 2 . GLY 37 37 53423 2 . GLN 38 38 53423 2 . VAL 39 39 53423 2 . GLN 40 40 53423 2 . LEU 41 41 53423 2 . VAL 42 42 53423 2 . GLN 43 43 53423 2 . SER 44 44 53423 2 . GLY 45 45 53423 2 . ALA 46 46 53423 2 . GLU 47 47 53423 2 . VAL 48 48 53423 2 . LYS 49 49 53423 2 . LYS 50 50 53423 2 . PRO 51 51 53423 2 . GLY 52 52 53423 2 . SER 53 53 53423 2 . SER 54 54 53423 2 . VAL 55 55 53423 2 . LYS 56 56 53423 2 . VAL 57 57 53423 2 . SER 58 58 53423 2 . CYS 59 59 53423 2 . LYS 60 60 53423 2 . ALA 61 61 53423 2 . SER 62 62 53423 2 . GLY 63 63 53423 2 . TYR 64 64 53423 2 . ILE 65 65 53423 2 . PHE 66 66 53423 2 . THR 67 67 53423 2 . ASN 68 68 53423 2 . TYR 69 69 53423 2 . ASN 70 70 53423 2 . ILE 71 71 53423 2 . HIS 72 72 53423 2 . TRP 73 73 53423 2 . VAL 74 74 53423 2 . LYS 75 75 53423 2 . LYS 76 76 53423 2 . SER 77 77 53423 2 . PRO 78 78 53423 2 . GLY 79 79 53423 2 . GLN 80 80 53423 2 . GLY 81 81 53423 2 . LEU 82 82 53423 2 . GLU 83 83 53423 2 . TRP 84 84 53423 2 . ILE 85 85 53423 2 . GLY 86 86 53423 2 . ALA 87 87 53423 2 . ILE 88 88 53423 2 . TYR 89 89 53423 2 . PRO 90 90 53423 2 . GLY 91 91 53423 2 . ASN 92 92 53423 2 . GLY 93 93 53423 2 . ASP 94 94 53423 2 . ALA 95 95 53423 2 . PRO 96 96 53423 2 . TYR 97 97 53423 2 . SER 98 98 53423 2 . GLN 99 99 53423 2 . LYS 100 100 53423 2 . PHE 101 101 53423 2 . GLN 102 102 53423 2 . GLY 103 103 53423 2 . LYS 104 104 53423 2 . ALA 105 105 53423 2 . THR 106 106 53423 2 . LEU 107 107 53423 2 . THR 108 108 53423 2 . ALA 109 109 53423 2 . ASP 110 110 53423 2 . THR 111 111 53423 2 . SER 112 112 53423 2 . THR 113 113 53423 2 . SER 114 114 53423 2 . THR 115 115 53423 2 . THR 116 116 53423 2 . TYR 117 117 53423 2 . MET 118 118 53423 2 . GLU 119 119 53423 2 . LEU 120 120 53423 2 . SER 121 121 53423 2 . SER 122 122 53423 2 . LEU 123 123 53423 2 . ARG 124 124 53423 2 . SER 125 125 53423 2 . GLU 126 126 53423 2 . ASP 127 127 53423 2 . THR 128 128 53423 2 . ALA 129 129 53423 2 . VAL 130 130 53423 2 . TYR 131 131 53423 2 . TYR 132 132 53423 2 . CYS 133 133 53423 2 . VAL 134 134 53423 2 . ARG 135 135 53423 2 . ALA 136 136 53423 2 . ASN 137 137 53423 2 . TRP 138 138 53423 2 . ASP 139 139 53423 2 . VAL 140 140 53423 2 . ALA 141 141 53423 2 . PHE 142 142 53423 2 . ALA 143 143 53423 2 . TYR 144 144 53423 2 . TRP 145 145 53423 2 . GLY 146 146 53423 2 . GLN 147 147 53423 2 . GLY 148 148 53423 2 . THR 149 149 53423 2 . LEU 150 150 53423 2 . VAL 151 151 53423 2 . THR 152 152 53423 2 . VAL 153 153 53423 2 . SER 154 154 53423 2 . SER 155 155 53423 2 . ALA 156 156 53423 2 . SER 157 157 53423 2 . THR 158 158 53423 2 . LYS 159 159 53423 2 . GLY 160 160 53423 2 . PRO 161 161 53423 2 . SER 162 162 53423 2 . VAL 163 163 53423 2 . PHE 164 164 53423 2 . PRO 165 165 53423 2 . LEU 166 166 53423 2 . ALA 167 167 53423 2 . PRO 168 168 53423 2 . SER 169 169 53423 2 . SER 170 170 53423 2 . LYS 171 171 53423 2 . SER 172 172 53423 2 . THR 173 173 53423 2 . SER 174 174 53423 2 . GLY 175 175 53423 2 . GLY 176 176 53423 2 . THR 177 177 53423 2 . ALA 178 178 53423 2 . ALA 179 179 53423 2 . LEU 180 180 53423 2 . GLY 181 181 53423 2 . CYS 182 182 53423 2 . LEU 183 183 53423 2 . VAL 184 184 53423 2 . LYS 185 185 53423 2 . ASP 186 186 53423 2 . TYR 187 187 53423 2 . PHE 188 188 53423 2 . PRO 189 189 53423 2 . GLU 190 190 53423 2 . PRO 191 191 53423 2 . VAL 192 192 53423 2 . THR 193 193 53423 2 . VAL 194 194 53423 2 . SER 195 195 53423 2 . TRP 196 196 53423 2 . ASN 197 197 53423 2 . SER 198 198 53423 2 . GLY 199 199 53423 2 . ALA 200 200 53423 2 . LEU 201 201 53423 2 . THR 202 202 53423 2 . SER 203 203 53423 2 . GLY 204 204 53423 2 . VAL 205 205 53423 2 . HIS 206 206 53423 2 . THR 207 207 53423 2 . PHE 208 208 53423 2 . PRO 209 209 53423 2 . ALA 210 210 53423 2 . VAL 211 211 53423 2 . LEU 212 212 53423 2 . GLN 213 213 53423 2 . SER 214 214 53423 2 . SER 215 215 53423 2 . GLY 216 216 53423 2 . LEU 217 217 53423 2 . TYR 218 218 53423 2 . SER 219 219 53423 2 . LEU 220 220 53423 2 . SER 221 221 53423 2 . SER 222 222 53423 2 . VAL 223 223 53423 2 . VAL 224 224 53423 2 . THR 225 225 53423 2 . VAL 226 226 53423 2 . PRO 227 227 53423 2 . SER 228 228 53423 2 . SER 229 229 53423 2 . SER 230 230 53423 2 . LEU 231 231 53423 2 . GLY 232 232 53423 2 . THR 233 233 53423 2 . GLN 234 234 53423 2 . THR 235 235 53423 2 . TYR 236 236 53423 2 . ILE 237 237 53423 2 . CYS 238 238 53423 2 . ASN 239 239 53423 2 . VAL 240 240 53423 2 . ASN 241 241 53423 2 . HIS 242 242 53423 2 . LYS 243 243 53423 2 . PRO 244 244 53423 2 . SER 245 245 53423 2 . ASN 246 246 53423 2 . THR 247 247 53423 2 . LYS 248 248 53423 2 . VAL 249 249 53423 2 . ASP 250 250 53423 2 . LYS 251 251 53423 2 . LYS 252 252 53423 2 . VAL 253 253 53423 2 . GLU 254 254 53423 2 . PRO 255 255 53423 2 . LYS 256 256 53423 2 . SER 257 257 53423 2 . CYS 258 258 53423 2 . ASP 259 259 53423 2 . LYS 260 260 53423 2 . THR 261 261 53423 2 . HIS 262 262 53423 2 . THR 263 263 53423 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53423 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53423 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53423 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53423 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pIVEX2.4d . . . 53423 1 2 2 $entity_2 . 'cell free synthesis' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pIVEX2.3d . . . 53423 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53423 _Sample.ID 1 _Sample.Name 'anti-LAMP1 Fab Met/Ala' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fab fragment from anti-LAMP1' '[Met, Ala: 13CH3]' . . 1 $entity_1 . . 41 . . uM . . . . 53423 1 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53423 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53423 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53423 _Sample.ID 2 _Sample.Name 'anti-LAMP1 Fab Met/Ile-d1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fab fragment from anti-LAMP1' '[Met, Ile-d1: 13CH3]' . . 1 $entity_1 . . 84 . . uM . . . . 53423 2 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53423 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53423 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 53423 _Sample.ID 3 _Sample.Name 'anti-LAMP1 Fab Met/Val-pro-R' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fab fragment from anti-LAMP1' '[Met, Val-pro-R: 13CH3]' . . 1 $entity_1 . . 41 . . uM . . . . 53423 3 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53423 3 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53423 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 53423 _Sample.ID 4 _Sample.Name 'anti-LAMP1 Fab Met/Thr' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fab fragment from anti-LAMP1' '[Met, Thr: 13CH3]' . . 1 $entity_1 . . 66 . . uM . . . . 53423 4 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53423 4 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53423 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 53423 _Sample.ID 5 _Sample.Name 'anti-LAMP1 Fab NOESY Met/Ala/Ile-d1/Val-pro-R/Thr/Leu-pro-S' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fab fragment from anti-LAMP1' '[Met, Ala, Ile-d1, Val-pro-R, Thr, Leu-pro-S: 13CH3]' . . 1 $entity_1 . . 314 . . uM . . . . 53423 5 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53423 5 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53423 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 53423 _Sample.ID 6 _Sample.Name 'anti-LAMP1 Fab HCC Ala/Ile-d1/Val-pro-R' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% 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 'Fab fragment from anti-LAMP1' '[Ala, Ile-d1, Val-pro-R: U-[13C], 13CH3]' . . 1 $entity_1 . . 258 . . uM . . . . 53423 6 2 MES 'natural abundance' . . . . . . 50 . . mM . . . . 53423 6 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 53423 6 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 53423 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Standard conditions' _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' 0.125 . M 53423 1 pH 6.9 . pH 53423 1 pressure 1 . atm 53423 1 temperature 308 . K 53423 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53423 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53423 1 'peak picking' . 53423 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53423 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53423 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53423 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53423 3 processing . 53423 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53423 _Software.ID 4 _Software.Type . _Software.Name Chimera _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53423 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53423 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 950' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53423 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 2 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 3 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 4 '2D 1H-13C HMQC' yes no no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 5 'CCH HMQC-NOESY-HMQC' yes no no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 6 HCC yes no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 7 HC(C)C yes no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 8 HC(CC)C yes no no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53423 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HMQC' HMQC-Met-Ala.zip . 'NMR experiment directory' . . 53423 1 2 '2D 1H-13C HMQC' HMQC-Met-Ile.zip . 'NMR experiment directory' . . 53423 1 3 '2D 1H-13C HMQC' HMQC-Met-Val.zip . 'NMR experiment directory' . . 53423 1 4 '2D 1H-13C HMQC' HMQC-Met-Thr.zip . 'NMR experiment directory' . . 53423 1 5 'CCH HMQC-NOESY-HMQC' NOESY.zip . 'NMR experiment directory' . . 53423 1 6 HCC HCC.zip . 'NMR experiment directory' . . 53423 1 7 HC(C)C HCCC.zip . 'NMR experiment directory' . . 53423 1 8 HC(CC)C HCCCC.zip . 'NMR experiment directory' . . 53423 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53423 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Light Chain Fab anti-LAMP1 chemical shifts' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 53423 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 53423 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 53423 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name 'Heavy Chain Fab anti-LAMP1 chemical shifts' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 53423 2 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 53423 2 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53423 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Heavy Chain Fab anti-LAMP1 chemical shifts' _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 $chem_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-13C HMQC' . . . 53423 1 2 '2D 1H-13C HMQC' . . . 53423 1 3 '2D 1H-13C HMQC' . . . 53423 1 4 '2D 1H-13C HMQC' . . . 53423 1 5 'CCH HMQC-NOESY-HMQC' . . . 53423 1 6 HCC . . . 53423 1 7 HC(C)C . . . 53423 1 8 HC(CC)C . . . 53423 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53423 1 4 $software_4 . . 53423 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 2 39 39 VAL HG11 H 1 0.23 0.08 . 1 . . . . . 2 VAL MG1 . 53423 1 2 . 2 . 2 39 39 VAL HG12 H 1 0.23 0.08 . 1 . . . . . 2 VAL MG1 . 53423 1 3 . 2 . 2 39 39 VAL HG13 H 1 0.23 0.08 . 1 . . . . . 2 VAL MG1 . 53423 1 4 . 2 . 2 39 39 VAL CG1 C 13 20.49 0.08 . 1 . . . . . 2 VAL CG1 . 53423 1 5 . 2 . 2 41 41 LEU HD21 H 1 0.94 0.08 . 1 . . . . . 4 LEU MD2 . 53423 1 6 . 2 . 2 41 41 LEU HD22 H 1 0.94 0.08 . 1 . . . . . 4 LEU MD2 . 53423 1 7 . 2 . 2 41 41 LEU HD23 H 1 0.94 0.08 . 1 . . . . . 4 LEU MD2 . 53423 1 8 . 2 . 2 41 41 LEU CD2 C 13 24.42 0.08 . 1 . . . . . 4 LEU CD2 . 53423 1 9 . 2 . 2 42 42 VAL HG11 H 1 0.97 0.08 . 1 . . . . . 5 VAL MG1 . 53423 1 10 . 2 . 2 42 42 VAL HG12 H 1 0.97 0.08 . 1 . . . . . 5 VAL MG1 . 53423 1 11 . 2 . 2 42 42 VAL HG13 H 1 0.97 0.08 . 1 . . . . . 5 VAL MG1 . 53423 1 12 . 2 . 2 42 42 VAL CG1 C 13 20.84 0.08 . 1 . . . . . 5 VAL CG1 . 53423 1 13 . 2 . 2 46 46 ALA HB1 H 1 1.53 0.08 . 1 . . . . . 9 ALA MB . 53423 1 14 . 2 . 2 46 46 ALA HB2 H 1 1.53 0.08 . 1 . . . . . 9 ALA MB . 53423 1 15 . 2 . 2 46 46 ALA HB3 H 1 1.53 0.08 . 1 . . . . . 9 ALA MB . 53423 1 16 . 2 . 2 46 46 ALA CB C 13 19.84 0.08 . 1 . . . . . 9 ALA CB . 53423 1 17 . 2 . 2 48 48 VAL HG11 H 1 1.14 0.08 . 1 . . . . . 11 VAL MG1 . 53423 1 18 . 2 . 2 48 48 VAL HG12 H 1 1.14 0.08 . 1 . . . . . 11 VAL MG1 . 53423 1 19 . 2 . 2 48 48 VAL HG13 H 1 1.14 0.08 . 1 . . . . . 11 VAL MG1 . 53423 1 20 . 2 . 2 48 48 VAL CG1 C 13 21.67 0.08 . 1 . . . . . 11 VAL CG1 . 53423 1 21 . 2 . 2 55 55 VAL HG11 H 1 0.8 0.08 . 1 . . . . . 18 VAL MG1 . 53423 1 22 . 2 . 2 55 55 VAL HG12 H 1 0.8 0.08 . 1 . . . . . 18 VAL MG1 . 53423 1 23 . 2 . 2 55 55 VAL HG13 H 1 0.8 0.08 . 1 . . . . . 18 VAL MG1 . 53423 1 24 . 2 . 2 55 55 VAL CG1 C 13 19.68 0.08 . 1 . . . . . 18 VAL CG1 . 53423 1 25 . 2 . 2 57 57 VAL HG11 H 1 1.21 0.08 . 1 . . . . . 20 VAL MG1 . 53423 1 26 . 2 . 2 57 57 VAL HG12 H 1 1.21 0.08 . 1 . . . . . 20 VAL MG1 . 53423 1 27 . 2 . 2 57 57 VAL HG13 H 1 1.21 0.08 . 1 . . . . . 20 VAL MG1 . 53423 1 28 . 2 . 2 57 57 VAL CG1 C 13 22.03 0.08 . 1 . . . . . 20 VAL CG1 . 53423 1 29 . 2 . 2 61 61 ALA HB1 H 1 1.57 0.08 . 1 . . . . . 24 ALA MB . 53423 1 30 . 2 . 2 61 61 ALA HB2 H 1 1.57 0.08 . 1 . . . . . 24 ALA MB . 53423 1 31 . 2 . 2 61 61 ALA HB3 H 1 1.57 0.08 . 1 . . . . . 24 ALA MB . 53423 1 32 . 2 . 2 61 61 ALA CB C 13 23.21 0.08 . 1 . . . . . 24 ALA CB . 53423 1 33 . 2 . 2 65 65 ILE HD11 H 1 0.89 0.08 . 1 . . . . . 28 ILE MD . 53423 1 34 . 2 . 2 65 65 ILE HD12 H 1 0.89 0.08 . 1 . . . . . 28 ILE MD . 53423 1 35 . 2 . 2 65 65 ILE HD13 H 1 0.89 0.08 . 1 . . . . . 28 ILE MD . 53423 1 36 . 2 . 2 65 65 ILE CD1 C 13 11.89 0.08 . 1 . . . . . 28 ILE CD1 . 53423 1 37 . 2 . 2 71 71 ILE HD11 H 1 0.7 0.08 . 1 . . . . . 34 ILE MD . 53423 1 38 . 2 . 2 71 71 ILE HD12 H 1 0.7 0.08 . 1 . . . . . 34 ILE MD . 53423 1 39 . 2 . 2 71 71 ILE HD13 H 1 0.7 0.08 . 1 . . . . . 34 ILE MD . 53423 1 40 . 2 . 2 71 71 ILE CD1 C 13 9.3 0.08 . 1 . . . . . 34 ILE CD1 . 53423 1 41 . 2 . 2 74 74 VAL HG11 H 1 0.95 0.08 . 1 . . . . . 37 VAL MG1 . 53423 1 42 . 2 . 2 74 74 VAL HG12 H 1 0.95 0.08 . 1 . . . . . 37 VAL MG1 . 53423 1 43 . 2 . 2 74 74 VAL HG13 H 1 0.95 0.08 . 1 . . . . . 37 VAL MG1 . 53423 1 44 . 2 . 2 74 74 VAL CG1 C 13 21.47 0.08 . 1 . . . . . 37 VAL CG1 . 53423 1 45 . 2 . 2 82 82 LEU HD21 H 1 0.18 0.08 . 1 . . . . . 45 LEU MD2 . 53423 1 46 . 2 . 2 82 82 LEU HD22 H 1 0.18 0.08 . 1 . . . . . 45 LEU MD2 . 53423 1 47 . 2 . 2 82 82 LEU HD23 H 1 0.18 0.08 . 1 . . . . . 45 LEU MD2 . 53423 1 48 . 2 . 2 82 82 LEU CD2 C 13 22.95 0.08 . 1 . . . . . 45 LEU CD2 . 53423 1 49 . 2 . 2 85 85 ILE HD11 H 1 0.68 0.08 . 1 . . . . . 48 ILE MD . 53423 1 50 . 2 . 2 85 85 ILE HD12 H 1 0.68 0.08 . 1 . . . . . 48 ILE MD . 53423 1 51 . 2 . 2 85 85 ILE HD13 H 1 0.68 0.08 . 1 . . . . . 48 ILE MD . 53423 1 52 . 2 . 2 85 85 ILE CD1 C 13 14.77 0.08 . 1 . . . . . 48 ILE CD1 . 53423 1 53 . 2 . 2 87 87 ALA HB1 H 1 0.57 0.08 . 1 . . . . . 50 ALA MB . 53423 1 54 . 2 . 2 87 87 ALA HB2 H 1 0.57 0.08 . 1 . . . . . 50 ALA MB . 53423 1 55 . 2 . 2 87 87 ALA HB3 H 1 0.57 0.08 . 1 . . . . . 50 ALA MB . 53423 1 56 . 2 . 2 87 87 ALA CB C 13 22.56 0.08 . 1 . . . . . 50 ALA CB . 53423 1 57 . 2 . 2 88 88 ILE HD11 H 1 0.74 0.08 . 1 . . . . . 51 ILE MD . 53423 1 58 . 2 . 2 88 88 ILE HD12 H 1 0.74 0.08 . 1 . . . . . 51 ILE MD . 53423 1 59 . 2 . 2 88 88 ILE HD13 H 1 0.74 0.08 . 1 . . . . . 51 ILE MD . 53423 1 60 . 2 . 2 88 88 ILE CD1 C 13 14.41 0.08 . 1 . . . . . 51 ILE CD1 . 53423 1 61 . 2 . 2 95 95 ALA HB1 H 1 1.12 0.08 . 1 . . . . . 58 ALA MB . 53423 1 62 . 2 . 2 95 95 ALA HB2 H 1 1.12 0.08 . 1 . . . . . 58 ALA MB . 53423 1 63 . 2 . 2 95 95 ALA HB3 H 1 1.12 0.08 . 1 . . . . . 58 ALA MB . 53423 1 64 . 2 . 2 95 95 ALA CB C 13 20.3 0.08 . 1 . . . . . 58 ALA CB . 53423 1 65 . 2 . 2 105 105 ALA HB1 H 1 1.08 0.08 . 1 . . . . . 68 ALA MB . 53423 1 66 . 2 . 2 105 105 ALA HB2 H 1 1.08 0.08 . 1 . . . . . 68 ALA MB . 53423 1 67 . 2 . 2 105 105 ALA HB3 H 1 1.08 0.08 . 1 . . . . . 68 ALA MB . 53423 1 68 . 2 . 2 105 105 ALA CB C 13 22.17 0.08 . 1 . . . . . 68 ALA CB . 53423 1 69 . 2 . 2 107 107 LEU HD21 H 1 0.27 0.08 . 1 . . . . . 70 LEU MD2 . 53423 1 70 . 2 . 2 107 107 LEU HD22 H 1 0.27 0.08 . 1 . . . . . 70 LEU MD2 . 53423 1 71 . 2 . 2 107 107 LEU HD23 H 1 0.27 0.08 . 1 . . . . . 70 LEU MD2 . 53423 1 72 . 2 . 2 107 107 LEU CD2 C 13 22.83 0.08 . 1 . . . . . 70 LEU CD2 . 53423 1 73 . 2 . 2 109 109 ALA HB1 H 1 1.44 0.08 . 1 . . . . . 72 ALA MB . 53423 1 74 . 2 . 2 109 109 ALA HB2 H 1 1.44 0.08 . 1 . . . . . 72 ALA MB . 53423 1 75 . 2 . 2 109 109 ALA HB3 H 1 1.44 0.08 . 1 . . . . . 72 ALA MB . 53423 1 76 . 2 . 2 109 109 ALA CB C 13 22.36 0.08 . 1 . . . . . 72 ALA CB . 53423 1 77 . 2 . 2 116 116 THR HG21 H 1 1.5 0.08 . 1 . . . . . 79 THR MG . 53423 1 78 . 2 . 2 116 116 THR HG22 H 1 1.5 0.08 . 1 . . . . . 79 THR MG . 53423 1 79 . 2 . 2 116 116 THR HG23 H 1 1.5 0.08 . 1 . . . . . 79 THR MG . 53423 1 80 . 2 . 2 116 116 THR CG2 C 13 22.95 0.08 . 1 . . . . . 79 THR CG2 . 53423 1 81 . 2 . 2 118 118 MET HE1 H 1 1.1 0.08 . 1 . . . . . 81 MET ME . 53423 1 82 . 2 . 2 118 118 MET HE2 H 1 1.1 0.08 . 1 . . . . . 81 MET ME . 53423 1 83 . 2 . 2 118 118 MET HE3 H 1 1.1 0.08 . 1 . . . . . 81 MET ME . 53423 1 84 . 2 . 2 118 118 MET CE C 13 15.85 0.08 . 1 . . . . . 81 MET CE . 53423 1 85 . 2 . 2 120 120 LEU HD21 H 1 0.75 0.08 . 1 . . . . . 83 LEU MD2 . 53423 1 86 . 2 . 2 120 120 LEU HD22 H 1 0.75 0.08 . 1 . . . . . 83 LEU MD2 . 53423 1 87 . 2 . 2 120 120 LEU HD23 H 1 0.75 0.08 . 1 . . . . . 83 LEU MD2 . 53423 1 88 . 2 . 2 120 120 LEU CD2 C 13 23.27 0.08 . 1 . . . . . 83 LEU CD2 . 53423 1 89 . 2 . 2 123 123 LEU HD21 H 1 0.67 0.08 . 1 . . . . . 86 LEU MD2 . 53423 1 90 . 2 . 2 123 123 LEU HD22 H 1 0.67 0.08 . 1 . . . . . 86 LEU MD2 . 53423 1 91 . 2 . 2 123 123 LEU HD23 H 1 0.67 0.08 . 1 . . . . . 86 LEU MD2 . 53423 1 92 . 2 . 2 123 123 LEU CD2 C 13 22.97 0.08 . 1 . . . . . 86 LEU CD2 . 53423 1 93 . 2 . 2 129 129 ALA HB1 H 1 1.09 0.08 . 1 . . . . . 92 ALA MB . 53423 1 94 . 2 . 2 129 129 ALA HB2 H 1 1.09 0.08 . 1 . . . . . 92 ALA MB . 53423 1 95 . 2 . 2 129 129 ALA HB3 H 1 1.09 0.08 . 1 . . . . . 92 ALA MB . 53423 1 96 . 2 . 2 129 129 ALA CB C 13 21.42 0.08 . 1 . . . . . 92 ALA CB . 53423 1 97 . 2 . 2 130 130 VAL HG11 H 1 0.4 0.08 . 1 . . . . . 93 VAL MG1 . 53423 1 98 . 2 . 2 130 130 VAL HG12 H 1 0.4 0.08 . 1 . . . . . 93 VAL MG1 . 53423 1 99 . 2 . 2 130 130 VAL HG13 H 1 0.4 0.08 . 1 . . . . . 93 VAL MG1 . 53423 1 100 . 2 . 2 130 130 VAL CG1 C 13 21.27 0.08 . 1 . . . . . 93 VAL CG1 . 53423 1 101 . 2 . 2 134 134 VAL HG11 H 1 -0.14 0.08 . 1 . . . . . 97 VAL MG1 . 53423 1 102 . 2 . 2 134 134 VAL HG12 H 1 -0.14 0.08 . 1 . . . . . 97 VAL MG1 . 53423 1 103 . 2 . 2 134 134 VAL HG13 H 1 -0.14 0.08 . 1 . . . . . 97 VAL MG1 . 53423 1 104 . 2 . 2 134 134 VAL CG1 C 13 20.01 0.08 . 1 . . . . . 97 VAL CG1 . 53423 1 105 . 2 . 2 136 136 ALA HB1 H 1 1.17 0.08 . 1 . . . . . 99 ALA MB . 53423 1 106 . 2 . 2 136 136 ALA HB2 H 1 1.17 0.08 . 1 . . . . . 99 ALA MB . 53423 1 107 . 2 . 2 136 136 ALA HB3 H 1 1.17 0.08 . 1 . . . . . 99 ALA MB . 53423 1 108 . 2 . 2 136 136 ALA CB C 13 20.69 0.08 . 1 . . . . . 99 ALA CB . 53423 1 109 . 2 . 2 140 140 VAL HG11 H 1 -0.24 0.08 . 1 . . . . . 103 VAL MG1 . 53423 1 110 . 2 . 2 140 140 VAL HG12 H 1 -0.24 0.08 . 1 . . . . . 103 VAL MG1 . 53423 1 111 . 2 . 2 140 140 VAL HG13 H 1 -0.24 0.08 . 1 . . . . . 103 VAL MG1 . 53423 1 112 . 2 . 2 140 140 VAL CG1 C 13 20.7 0.08 . 1 . . . . . 103 VAL CG1 . 53423 1 113 . 2 . 2 141 141 ALA HB1 H 1 0.27 0.08 . 1 . . . . . 104 ALA MB . 53423 1 114 . 2 . 2 141 141 ALA HB2 H 1 0.27 0.08 . 1 . . . . . 104 ALA MB . 53423 1 115 . 2 . 2 141 141 ALA HB3 H 1 0.27 0.08 . 1 . . . . . 104 ALA MB . 53423 1 116 . 2 . 2 141 141 ALA CB C 13 16.59 0.08 . 1 . . . . . 104 ALA CB . 53423 1 117 . 2 . 2 143 143 ALA HB1 H 1 1.24 0.08 . 1 . . . . . 106 ALA MB . 53423 1 118 . 2 . 2 143 143 ALA HB2 H 1 1.24 0.08 . 1 . . . . . 106 ALA MB . 53423 1 119 . 2 . 2 143 143 ALA HB3 H 1 1.24 0.08 . 1 . . . . . 106 ALA MB . 53423 1 120 . 2 . 2 143 143 ALA CB C 13 19.39 0.08 . 1 . . . . . 106 ALA CB . 53423 1 121 . 2 . 2 149 149 THR HG21 H 1 1.23 0.08 . 1 . . . . . 112 THR MG . 53423 1 122 . 2 . 2 149 149 THR HG22 H 1 1.23 0.08 . 1 . . . . . 112 THR MG . 53423 1 123 . 2 . 2 149 149 THR HG23 H 1 1.23 0.08 . 1 . . . . . 112 THR MG . 53423 1 124 . 2 . 2 149 149 THR CG2 C 13 21.92 0.08 . 1 . . . . . 112 THR CG2 . 53423 1 125 . 2 . 2 150 150 LEU HD21 H 1 0.8 0.08 . 1 . . . . . 113 LEU MD2 . 53423 1 126 . 2 . 2 150 150 LEU HD22 H 1 0.8 0.08 . 1 . . . . . 113 LEU MD2 . 53423 1 127 . 2 . 2 150 150 LEU HD23 H 1 0.8 0.08 . 1 . . . . . 113 LEU MD2 . 53423 1 128 . 2 . 2 150 150 LEU CD2 C 13 25.87 0.08 . 1 . . . . . 113 LEU CD2 . 53423 1 129 . 2 . 2 151 151 VAL HG11 H 1 0.72 0.08 . 1 . . . . . 114 VAL MG1 . 53423 1 130 . 2 . 2 151 151 VAL HG12 H 1 0.72 0.08 . 1 . . . . . 114 VAL MG1 . 53423 1 131 . 2 . 2 151 151 VAL HG13 H 1 0.72 0.08 . 1 . . . . . 114 VAL MG1 . 53423 1 132 . 2 . 2 151 151 VAL CG1 C 13 20.14 0.08 . 1 . . . . . 114 VAL CG1 . 53423 1 133 . 2 . 2 153 153 VAL HG11 H 1 0.44 0.08 . 1 . . . . . 116 VAL MG1 . 53423 1 134 . 2 . 2 153 153 VAL HG12 H 1 0.44 0.08 . 1 . . . . . 116 VAL MG1 . 53423 1 135 . 2 . 2 153 153 VAL HG13 H 1 0.44 0.08 . 1 . . . . . 116 VAL MG1 . 53423 1 136 . 2 . 2 153 153 VAL CG1 C 13 19.74 0.08 . 1 . . . . . 116 VAL CG1 . 53423 1 137 . 2 . 2 156 156 ALA HB1 H 1 0.28 0.08 . 1 . . . . . 119 ALA MB . 53423 1 138 . 2 . 2 156 156 ALA HB2 H 1 0.28 0.08 . 1 . . . . . 119 ALA MB . 53423 1 139 . 2 . 2 156 156 ALA HB3 H 1 0.28 0.08 . 1 . . . . . 119 ALA MB . 53423 1 140 . 2 . 2 156 156 ALA CB C 13 18.57 0.08 . 1 . . . . . 119 ALA CB . 53423 1 141 . 2 . 2 163 163 VAL HG11 H 1 0.6 0.08 . 1 . . . . . 126 VAL MG1 . 53423 1 142 . 2 . 2 163 163 VAL HG12 H 1 0.6 0.08 . 1 . . . . . 126 VAL MG1 . 53423 1 143 . 2 . 2 163 163 VAL HG13 H 1 0.6 0.08 . 1 . . . . . 126 VAL MG1 . 53423 1 144 . 2 . 2 163 163 VAL CG1 C 13 21.42 0.08 . 1 . . . . . 126 VAL CG1 . 53423 1 145 . 2 . 2 166 166 LEU HD21 H 1 0.55 0.08 . 1 . . . . . 129 LEU MD2 . 53423 1 146 . 2 . 2 166 166 LEU HD22 H 1 0.55 0.08 . 1 . . . . . 129 LEU MD2 . 53423 1 147 . 2 . 2 166 166 LEU HD23 H 1 0.55 0.08 . 1 . . . . . 129 LEU MD2 . 53423 1 148 . 2 . 2 166 166 LEU CD2 C 13 23.93 0.08 . 1 . . . . . 129 LEU CD2 . 53423 1 149 . 2 . 2 167 167 ALA HB1 H 1 1.53 0.08 . 1 . . . . . 130 ALA MB . 53423 1 150 . 2 . 2 167 167 ALA HB2 H 1 1.53 0.08 . 1 . . . . . 130 ALA MB . 53423 1 151 . 2 . 2 167 167 ALA HB3 H 1 1.53 0.08 . 1 . . . . . 130 ALA MB . 53423 1 152 . 2 . 2 167 167 ALA CB C 13 19.54 0.08 . 1 . . . . . 130 ALA CB . 53423 1 153 . 2 . 2 177 177 THR HG21 H 1 1.18 0.08 . 1 . . . . . 140 THR MG . 53423 1 154 . 2 . 2 177 177 THR HG22 H 1 1.18 0.08 . 1 . . . . . 140 THR MG . 53423 1 155 . 2 . 2 177 177 THR HG23 H 1 1.18 0.08 . 1 . . . . . 140 THR MG . 53423 1 156 . 2 . 2 177 177 THR CG2 C 13 21.98 0.08 . 1 . . . . . 140 THR CG2 . 53423 1 157 . 2 . 2 178 178 ALA HB1 H 1 1.19 0.08 . 1 . . . . . 141 ALA MB . 53423 1 158 . 2 . 2 178 178 ALA HB2 H 1 1.19 0.08 . 1 . . . . . 141 ALA MB . 53423 1 159 . 2 . 2 178 178 ALA HB3 H 1 1.19 0.08 . 1 . . . . . 141 ALA MB . 53423 1 160 . 2 . 2 178 178 ALA CB C 13 22.8 0.08 . 1 . . . . . 141 ALA CB . 53423 1 161 . 2 . 2 179 179 ALA HB1 H 1 0.35 0.08 . 1 . . . . . 142 ALA MB . 53423 1 162 . 2 . 2 179 179 ALA HB2 H 1 0.35 0.08 . 1 . . . . . 142 ALA MB . 53423 1 163 . 2 . 2 179 179 ALA HB3 H 1 0.35 0.08 . 1 . . . . . 142 ALA MB . 53423 1 164 . 2 . 2 179 179 ALA CB C 13 20.8 0.08 . 1 . . . . . 142 ALA CB . 53423 1 165 . 2 . 2 180 180 LEU HD21 H 1 0.26 0.08 . 1 . . . . . 143 LEU MD2 . 53423 1 166 . 2 . 2 180 180 LEU HD22 H 1 0.26 0.08 . 1 . . . . . 143 LEU MD2 . 53423 1 167 . 2 . 2 180 180 LEU HD23 H 1 0.26 0.08 . 1 . . . . . 143 LEU MD2 . 53423 1 168 . 2 . 2 180 180 LEU CD2 C 13 26.77 0.08 . 1 . . . . . 143 LEU CD2 . 53423 1 169 . 2 . 2 183 183 LEU HD21 H 1 0.81 0.08 . 1 . . . . . 146 LEU MD2 . 53423 1 170 . 2 . 2 183 183 LEU HD22 H 1 0.81 0.08 . 1 . . . . . 146 LEU MD2 . 53423 1 171 . 2 . 2 183 183 LEU HD23 H 1 0.81 0.08 . 1 . . . . . 146 LEU MD2 . 53423 1 172 . 2 . 2 183 183 LEU CD2 C 13 25.78 0.08 . 1 . . . . . 146 LEU CD2 . 53423 1 173 . 2 . 2 184 184 VAL HG11 H 1 0.57 0.08 . 1 . . . . . 147 VAL MG1 . 53423 1 174 . 2 . 2 184 184 VAL HG12 H 1 0.57 0.08 . 1 . . . . . 147 VAL MG1 . 53423 1 175 . 2 . 2 184 184 VAL HG13 H 1 0.57 0.08 . 1 . . . . . 147 VAL MG1 . 53423 1 176 . 2 . 2 184 184 VAL CG1 C 13 23.08 0.08 . 1 . . . . . 147 VAL CG1 . 53423 1 177 . 2 . 2 192 192 VAL HG11 H 1 0.29 0.08 . 1 . . . . . 155 VAL MG1 . 53423 1 178 . 2 . 2 192 192 VAL HG12 H 1 0.29 0.08 . 1 . . . . . 155 VAL MG1 . 53423 1 179 . 2 . 2 192 192 VAL HG13 H 1 0.29 0.08 . 1 . . . . . 155 VAL MG1 . 53423 1 180 . 2 . 2 192 192 VAL CG1 C 13 21.21 0.08 . 1 . . . . . 155 VAL CG1 . 53423 1 181 . 2 . 2 194 194 VAL HG11 H 1 0.56 0.08 . 1 . . . . . 157 VAL MG1 . 53423 1 182 . 2 . 2 194 194 VAL HG12 H 1 0.56 0.08 . 1 . . . . . 157 VAL MG1 . 53423 1 183 . 2 . 2 194 194 VAL HG13 H 1 0.56 0.08 . 1 . . . . . 157 VAL MG1 . 53423 1 184 . 2 . 2 194 194 VAL CG1 C 13 20.8 0.08 . 1 . . . . . 157 VAL CG1 . 53423 1 185 . 2 . 2 200 200 ALA HB1 H 1 1.61 0.08 . 1 . . . . . 163 ALA MB . 53423 1 186 . 2 . 2 200 200 ALA HB2 H 1 1.61 0.08 . 1 . . . . . 163 ALA MB . 53423 1 187 . 2 . 2 200 200 ALA HB3 H 1 1.61 0.08 . 1 . . . . . 163 ALA MB . 53423 1 188 . 2 . 2 200 200 ALA CB C 13 19.12 0.08 . 1 . . . . . 163 ALA CB . 53423 1 189 . 2 . 2 201 201 LEU HD21 H 1 0.84 0.08 . 1 . . . . . 164 LEU MD2 . 53423 1 190 . 2 . 2 201 201 LEU HD22 H 1 0.84 0.08 . 1 . . . . . 164 LEU MD2 . 53423 1 191 . 2 . 2 201 201 LEU HD23 H 1 0.84 0.08 . 1 . . . . . 164 LEU MD2 . 53423 1 192 . 2 . 2 201 201 LEU CD2 C 13 26.13 0.08 . 1 . . . . . 164 LEU CD2 . 53423 1 193 . 2 . 2 202 202 THR HG21 H 1 1.17 0.08 . 1 . . . . . 165 THR MG . 53423 1 194 . 2 . 2 202 202 THR HG22 H 1 1.17 0.08 . 1 . . . . . 165 THR MG . 53423 1 195 . 2 . 2 202 202 THR HG23 H 1 1.17 0.08 . 1 . . . . . 165 THR MG . 53423 1 196 . 2 . 2 202 202 THR CG2 C 13 21.66 0.08 . 1 . . . . . 165 THR CG2 . 53423 1 197 . 2 . 2 205 205 VAL HG11 H 1 0.89 0.08 . 1 . . . . . 168 VAL MG1 . 53423 1 198 . 2 . 2 205 205 VAL HG12 H 1 0.89 0.08 . 1 . . . . . 168 VAL MG1 . 53423 1 199 . 2 . 2 205 205 VAL HG13 H 1 0.89 0.08 . 1 . . . . . 168 VAL MG1 . 53423 1 200 . 2 . 2 205 205 VAL CG1 C 13 20.9 0.08 . 1 . . . . . 168 VAL CG1 . 53423 1 201 . 2 . 2 207 207 THR HG21 H 1 1.32 0.08 . 1 . . . . . 170 THR MG . 53423 1 202 . 2 . 2 207 207 THR HG22 H 1 1.32 0.08 . 1 . . . . . 170 THR MG . 53423 1 203 . 2 . 2 207 207 THR HG23 H 1 1.32 0.08 . 1 . . . . . 170 THR MG . 53423 1 204 . 2 . 2 207 207 THR CG2 C 13 23.63 0.08 . 1 . . . . . 170 THR CG2 . 53423 1 205 . 2 . 2 210 210 ALA HB1 H 1 1.49 0.08 . 1 . . . . . 173 ALA MB . 53423 1 206 . 2 . 2 210 210 ALA HB2 H 1 1.49 0.08 . 1 . . . . . 173 ALA MB . 53423 1 207 . 2 . 2 210 210 ALA HB3 H 1 1.49 0.08 . 1 . . . . . 173 ALA MB . 53423 1 208 . 2 . 2 210 210 ALA CB C 13 20.77 0.08 . 1 . . . . . 173 ALA CB . 53423 1 209 . 2 . 2 211 211 VAL HG11 H 1 0.94 0.08 . 1 . . . . . 174 VAL MG1 . 53423 1 210 . 2 . 2 211 211 VAL HG12 H 1 0.94 0.08 . 1 . . . . . 174 VAL MG1 . 53423 1 211 . 2 . 2 211 211 VAL HG13 H 1 0.94 0.08 . 1 . . . . . 174 VAL MG1 . 53423 1 212 . 2 . 2 211 211 VAL CG1 C 13 21.47 0.08 . 1 . . . . . 174 VAL CG1 . 53423 1 213 . 2 . 2 212 212 LEU HD21 H 1 0.73 0.08 . 1 . . . . . 175 LEU MD2 . 53423 1 214 . 2 . 2 212 212 LEU HD22 H 1 0.73 0.08 . 1 . . . . . 175 LEU MD2 . 53423 1 215 . 2 . 2 212 212 LEU HD23 H 1 0.73 0.08 . 1 . . . . . 175 LEU MD2 . 53423 1 216 . 2 . 2 212 212 LEU CD2 C 13 25.43 0.08 . 1 . . . . . 175 LEU CD2 . 53423 1 217 . 2 . 2 217 217 LEU HD21 H 1 0.62 0.08 . 1 . . . . . 180 LEU MD2 . 53423 1 218 . 2 . 2 217 217 LEU HD22 H 1 0.62 0.08 . 1 . . . . . 180 LEU MD2 . 53423 1 219 . 2 . 2 217 217 LEU HD23 H 1 0.62 0.08 . 1 . . . . . 180 LEU MD2 . 53423 1 220 . 2 . 2 217 217 LEU CD2 C 13 23.43 0.08 . 1 . . . . . 180 LEU CD2 . 53423 1 221 . 2 . 2 220 220 LEU HD21 H 1 0.9 0.08 . 1 . . . . . 183 LEU MD2 . 53423 1 222 . 2 . 2 220 220 LEU HD22 H 1 0.9 0.08 . 1 . . . . . 183 LEU MD2 . 53423 1 223 . 2 . 2 220 220 LEU HD23 H 1 0.9 0.08 . 1 . . . . . 183 LEU MD2 . 53423 1 224 . 2 . 2 220 220 LEU CD2 C 13 27.42 0.08 . 1 . . . . . 183 LEU CD2 . 53423 1 225 . 2 . 2 223 223 VAL HG11 H 1 0.86 0.08 . 1 . . . . . 186 VAL MG1 . 53423 1 226 . 2 . 2 223 223 VAL HG12 H 1 0.86 0.08 . 1 . . . . . 186 VAL MG1 . 53423 1 227 . 2 . 2 223 223 VAL HG13 H 1 0.86 0.08 . 1 . . . . . 186 VAL MG1 . 53423 1 228 . 2 . 2 223 223 VAL CG1 C 13 20.69 0.08 . 1 . . . . . 186 VAL CG1 . 53423 1 229 . 2 . 2 224 224 VAL HG11 H 1 -0.34 0.08 . 1 . . . . . 187 VAL MG1 . 53423 1 230 . 2 . 2 224 224 VAL HG12 H 1 -0.34 0.08 . 1 . . . . . 187 VAL MG1 . 53423 1 231 . 2 . 2 224 224 VAL HG13 H 1 -0.34 0.08 . 1 . . . . . 187 VAL MG1 . 53423 1 232 . 2 . 2 224 224 VAL CG1 C 13 18.73 0.08 . 1 . . . . . 187 VAL CG1 . 53423 1 233 . 2 . 2 225 225 THR HG21 H 1 0.86 0.08 . 1 . . . . . 188 THR MG . 53423 1 234 . 2 . 2 225 225 THR HG22 H 1 0.86 0.08 . 1 . . . . . 188 THR MG . 53423 1 235 . 2 . 2 225 225 THR HG23 H 1 0.86 0.08 . 1 . . . . . 188 THR MG . 53423 1 236 . 2 . 2 225 225 THR CG2 C 13 21.14 0.08 . 1 . . . . . 188 THR CG2 . 53423 1 237 . 2 . 2 226 226 VAL HG11 H 1 0.35 0.08 . 1 . . . . . 189 VAL MG1 . 53423 1 238 . 2 . 2 226 226 VAL HG12 H 1 0.35 0.08 . 1 . . . . . 189 VAL MG1 . 53423 1 239 . 2 . 2 226 226 VAL HG13 H 1 0.35 0.08 . 1 . . . . . 189 VAL MG1 . 53423 1 240 . 2 . 2 226 226 VAL CG1 C 13 21.58 0.08 . 1 . . . . . 189 VAL CG1 . 53423 1 241 . 2 . 2 231 231 LEU HD21 H 1 0.77 0.08 . 1 . . . . . 194 LEU MD2 . 53423 1 242 . 2 . 2 231 231 LEU HD22 H 1 0.77 0.08 . 1 . . . . . 194 LEU MD2 . 53423 1 243 . 2 . 2 231 231 LEU HD23 H 1 0.77 0.08 . 1 . . . . . 194 LEU MD2 . 53423 1 244 . 2 . 2 231 231 LEU CD2 C 13 23.02 0.08 . 1 . . . . . 194 LEU CD2 . 53423 1 245 . 2 . 2 235 235 THR HG21 H 1 1.17 0.08 . 1 . . . . . 198 THR MG . 53423 1 246 . 2 . 2 235 235 THR HG22 H 1 1.17 0.08 . 1 . . . . . 198 THR MG . 53423 1 247 . 2 . 2 235 235 THR HG23 H 1 1.17 0.08 . 1 . . . . . 198 THR MG . 53423 1 248 . 2 . 2 235 235 THR CG2 C 13 21.83 0.08 . 1 . . . . . 198 THR CG2 . 53423 1 249 . 2 . 2 237 237 ILE HD11 H 1 0.74 0.08 . 1 . . . . . 200 ILE MD . 53423 1 250 . 2 . 2 237 237 ILE HD12 H 1 0.74 0.08 . 1 . . . . . 200 ILE MD . 53423 1 251 . 2 . 2 237 237 ILE HD13 H 1 0.74 0.08 . 1 . . . . . 200 ILE MD . 53423 1 252 . 2 . 2 237 237 ILE CD1 C 13 13.13 0.08 . 1 . . . . . 200 ILE CD1 . 53423 1 253 . 2 . 2 240 240 VAL HG11 H 1 0.51 0.08 . 1 . . . . . 203 VAL MG1 . 53423 1 254 . 2 . 2 240 240 VAL HG12 H 1 0.51 0.08 . 1 . . . . . 203 VAL MG1 . 53423 1 255 . 2 . 2 240 240 VAL HG13 H 1 0.51 0.08 . 1 . . . . . 203 VAL MG1 . 53423 1 256 . 2 . 2 240 240 VAL CG1 C 13 20.94 0.08 . 1 . . . . . 203 VAL CG1 . 53423 1 257 . 2 . 2 249 249 VAL HG11 H 1 0.78 0.08 . 1 . . . . . 212 VAL MG1 . 53423 1 258 . 2 . 2 249 249 VAL HG12 H 1 0.78 0.08 . 1 . . . . . 212 VAL MG1 . 53423 1 259 . 2 . 2 249 249 VAL HG13 H 1 0.78 0.08 . 1 . . . . . 212 VAL MG1 . 53423 1 260 . 2 . 2 249 249 VAL CG1 C 13 20.89 0.08 . 1 . . . . . 212 VAL CG1 . 53423 1 261 . 2 . 2 253 253 VAL HG11 H 1 1.16 0.08 . 1 . . . . . 216 VAL MG1 . 53423 1 262 . 2 . 2 253 253 VAL HG12 H 1 1.16 0.08 . 1 . . . . . 216 VAL MG1 . 53423 1 263 . 2 . 2 253 253 VAL HG13 H 1 1.16 0.08 . 1 . . . . . 216 VAL MG1 . 53423 1 264 . 2 . 2 253 253 VAL CG1 C 13 23.19 0.08 . 1 . . . . . 216 VAL CG1 . 53423 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53423 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Light Chain Fab anti-LAMP1 chemical shifts' _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 $chem_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-13C HMQC' . . . 53423 2 2 '2D 1H-13C HMQC' . . . 53423 2 3 '2D 1H-13C HMQC' . . . 53423 2 4 '2D 1H-13C HMQC' . . . 53423 2 5 'CCH HMQC-NOESY-HMQC' . . . 53423 2 6 HCC . . . 53423 2 7 HC(C)C . . . 53423 2 8 HC(CC)C . . . 53423 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53423 2 4 $software_4 . . 53423 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 28 28 ILE HD11 H 1 0.75 0.08 . 1 . . . . . 2 ILE MD . 53423 2 2 . 1 . 1 28 28 ILE HD12 H 1 0.75 0.08 . 1 . . . . . 2 ILE MD . 53423 2 3 . 1 . 1 28 28 ILE HD13 H 1 0.75 0.08 . 1 . . . . . 2 ILE MD . 53423 2 4 . 1 . 1 28 28 ILE CD1 C 13 13.27 0.08 . 1 . . . . . 2 ILE CD1 . 53423 2 5 . 1 . 1 30 30 MET HE1 H 1 1.8 0.08 . 1 . . . . . 4 MET ME . 53423 2 6 . 1 . 1 30 30 MET HE2 H 1 1.8 0.08 . 1 . . . . . 4 MET ME . 53423 2 7 . 1 . 1 30 30 MET HE3 H 1 1.8 0.08 . 1 . . . . . 4 MET ME . 53423 2 8 . 1 . 1 30 30 MET CE C 13 17.26 0.08 . 1 . . . . . 4 MET CE . 53423 2 9 . 1 . 1 37 37 LEU HD21 H 1 0.93 0.08 . 1 . . . . . 11 LEU MD2 . 53423 2 10 . 1 . 1 37 37 LEU HD22 H 1 0.93 0.08 . 1 . . . . . 11 LEU MD2 . 53423 2 11 . 1 . 1 37 37 LEU HD23 H 1 0.93 0.08 . 1 . . . . . 11 LEU MD2 . 53423 2 12 . 1 . 1 37 37 LEU CD2 C 13 26.12 0.08 . 1 . . . . . 11 LEU CD2 . 53423 2 13 . 1 . 1 39 39 ALA HB1 H 1 1.35 0.08 . 1 . . . . . 13 ALA MB . 53423 2 14 . 1 . 1 39 39 ALA HB2 H 1 1.35 0.08 . 1 . . . . . 13 ALA MB . 53423 2 15 . 1 . 1 39 39 ALA HB3 H 1 1.35 0.08 . 1 . . . . . 13 ALA MB . 53423 2 16 . 1 . 1 39 39 ALA CB C 13 23.29 0.08 . 1 . . . . . 13 ALA CB . 53423 2 17 . 1 . 1 41 41 VAL HG11 H 1 1.05 0.08 . 1 . . . . . 15 VAL MG1 . 53423 2 18 . 1 . 1 41 41 VAL HG12 H 1 1.05 0.08 . 1 . . . . . 15 VAL MG1 . 53423 2 19 . 1 . 1 41 41 VAL HG13 H 1 1.05 0.08 . 1 . . . . . 15 VAL MG1 . 53423 2 20 . 1 . 1 41 41 VAL CG1 C 13 21.05 0.08 . 1 . . . . . 15 VAL CG1 . 53423 2 21 . 1 . 1 45 45 VAL HG11 H 1 0.75 0.08 . 1 . . . . . 19 VAL MG1 . 53423 2 22 . 1 . 1 45 45 VAL HG12 H 1 0.75 0.08 . 1 . . . . . 19 VAL MG1 . 53423 2 23 . 1 . 1 45 45 VAL HG13 H 1 0.75 0.08 . 1 . . . . . 19 VAL MG1 . 53423 2 24 . 1 . 1 45 45 VAL CG1 C 13 22.08 0.08 . 1 . . . . . 19 VAL CG1 . 53423 2 25 . 1 . 1 47 47 ILE HD11 H 1 0.48 0.08 . 1 . . . . . 21 ILE MD . 53423 2 26 . 1 . 1 47 47 ILE HD12 H 1 0.48 0.08 . 1 . . . . . 21 ILE MD . 53423 2 27 . 1 . 1 47 47 ILE HD13 H 1 0.48 0.08 . 1 . . . . . 21 ILE MD . 53423 2 28 . 1 . 1 47 47 ILE CD1 C 13 13.66 0.08 . 1 . . . . . 21 ILE CD1 . 53423 2 29 . 1 . 1 51 51 ALA HB1 H 1 1.67 0.08 . 1 . . . . . 25 ALA MB . 53423 2 30 . 1 . 1 51 51 ALA HB2 H 1 1.67 0.08 . 1 . . . . . 25 ALA MB . 53423 2 31 . 1 . 1 51 51 ALA HB3 H 1 1.67 0.08 . 1 . . . . . 25 ALA MB . 53423 2 32 . 1 . 1 51 51 ALA CB C 13 23.47 0.08 . 1 . . . . . 25 ALA CB . 53423 2 33 . 1 . 1 55 55 ILE HD11 H 1 0.46 0.08 . 1 . . . . . 29 ILE MD . 53423 2 34 . 1 . 1 55 55 ILE HD12 H 1 0.46 0.08 . 1 . . . . . 29 ILE MD . 53423 2 35 . 1 . 1 55 55 ILE HD13 H 1 0.46 0.08 . 1 . . . . . 29 ILE MD . 53423 2 36 . 1 . 1 55 55 ILE CD1 C 13 14.72 0.08 . 1 . . . . . 29 ILE CD1 . 53423 2 37 . 1 . 1 59 59 MET HE1 H 1 1.27 0.08 . 1 . . . . . 33 MET ME . 53423 2 38 . 1 . 1 59 59 MET HE2 H 1 1.27 0.08 . 1 . . . . . 33 MET ME . 53423 2 39 . 1 . 1 59 59 MET HE3 H 1 1.27 0.08 . 1 . . . . . 33 MET ME . 53423 2 40 . 1 . 1 59 59 MET CE C 13 15.03 0.08 . 1 . . . . . 33 MET CE . 53423 2 41 . 1 . 1 60 60 ALA HB1 H 1 1.32 0.08 . 1 . . . . . 34 ALA MB . 53423 2 42 . 1 . 1 60 60 ALA HB2 H 1 1.32 0.08 . 1 . . . . . 34 ALA MB . 53423 2 43 . 1 . 1 60 60 ALA HB3 H 1 1.32 0.08 . 1 . . . . . 34 ALA MB . 53423 2 44 . 1 . 1 60 60 ALA CB C 13 24.07 0.08 . 1 . . . . . 34 ALA CB . 53423 2 45 . 1 . 1 69 69 ALA HB1 H 1 0.94 0.08 . 1 . . . . . 43 ALA MB . 53423 2 46 . 1 . 1 69 69 ALA HB2 H 1 0.94 0.08 . 1 . . . . . 43 ALA MB . 53423 2 47 . 1 . 1 69 69 ALA HB3 H 1 0.94 0.08 . 1 . . . . . 43 ALA MB . 53423 2 48 . 1 . 1 69 69 ALA CB C 13 16.63 0.08 . 1 . . . . . 43 ALA CB . 53423 2 49 . 1 . 1 72 72 LEU HD21 H 1 0.5 0.08 . 1 . . . . . 46 LEU MD2 . 53423 2 50 . 1 . 1 72 72 LEU HD22 H 1 0.5 0.08 . 1 . . . . . 46 LEU MD2 . 53423 2 51 . 1 . 1 72 72 LEU HD23 H 1 0.5 0.08 . 1 . . . . . 46 LEU MD2 . 53423 2 52 . 1 . 1 72 72 LEU CD2 C 13 26.46 0.08 . 1 . . . . . 46 LEU CD2 . 53423 2 53 . 1 . 1 73 73 LEU HD21 H 1 0.13 0.08 . 1 . . . . . 47 LEU MD2 . 53423 2 54 . 1 . 1 73 73 LEU HD22 H 1 0.13 0.08 . 1 . . . . . 47 LEU MD2 . 53423 2 55 . 1 . 1 73 73 LEU HD23 H 1 0.13 0.08 . 1 . . . . . 47 LEU MD2 . 53423 2 56 . 1 . 1 73 73 LEU CD2 C 13 21.08 0.08 . 1 . . . . . 47 LEU CD2 . 53423 2 57 . 1 . 1 74 74 ILE HD11 H 1 0.51 0.08 . 1 . . . . . 48 ILE MD . 53423 2 58 . 1 . 1 74 74 ILE HD12 H 1 0.51 0.08 . 1 . . . . . 48 ILE MD . 53423 2 59 . 1 . 1 74 74 ILE HD13 H 1 0.51 0.08 . 1 . . . . . 48 ILE MD . 53423 2 60 . 1 . 1 74 74 ILE CD1 C 13 13.3 0.08 . 1 . . . . . 48 ILE CD1 . 53423 2 61 . 1 . 1 79 79 THR HG21 H 1 1.07 0.08 . 1 . . . . . 53 THR MG . 53423 2 62 . 1 . 1 79 79 THR HG22 H 1 1.07 0.08 . 1 . . . . . 53 THR MG . 53423 2 63 . 1 . 1 79 79 THR HG23 H 1 1.07 0.08 . 1 . . . . . 53 THR MG . 53423 2 64 . 1 . 1 79 79 THR CG2 C 13 22.92 0.08 . 1 . . . . . 53 THR CG2 . 53423 2 65 . 1 . 1 80 80 LEU HD21 H 1 0.92 0.08 . 1 . . . . . 54 LEU MD2 . 53423 2 66 . 1 . 1 80 80 LEU HD22 H 1 0.92 0.08 . 1 . . . . . 54 LEU MD2 . 53423 2 67 . 1 . 1 80 80 LEU HD23 H 1 0.92 0.08 . 1 . . . . . 54 LEU MD2 . 53423 2 68 . 1 . 1 80 80 LEU CD2 C 13 24.61 0.08 . 1 . . . . . 54 LEU CD2 . 53423 2 69 . 1 . 1 84 84 VAL HG11 H 1 0.98 0.08 . 1 . . . . . 58 VAL MG1 . 53423 2 70 . 1 . 1 84 84 VAL HG12 H 1 0.98 0.08 . 1 . . . . . 58 VAL MG1 . 53423 2 71 . 1 . 1 84 84 VAL HG13 H 1 0.98 0.08 . 1 . . . . . 58 VAL MG1 . 53423 2 72 . 1 . 1 84 84 VAL CG1 C 13 21.46 0.08 . 1 . . . . . 58 VAL CG1 . 53423 2 73 . 1 . 1 99 99 LEU HD21 H 1 0.22 0.08 . 1 . . . . . 73 LEU MD2 . 53423 2 74 . 1 . 1 99 99 LEU HD22 H 1 0.22 0.08 . 1 . . . . . 73 LEU MD2 . 53423 2 75 . 1 . 1 99 99 LEU HD23 H 1 0.22 0.08 . 1 . . . . . 73 LEU MD2 . 53423 2 76 . 1 . 1 99 99 LEU CD2 C 13 26.14 0.08 . 1 . . . . . 73 LEU CD2 . 53423 2 77 . 1 . 1 100 100 THR HG21 H 1 0.89 0.08 . 1 . . . . . 74 THR MG . 53423 2 78 . 1 . 1 100 100 THR HG22 H 1 0.89 0.08 . 1 . . . . . 74 THR MG . 53423 2 79 . 1 . 1 100 100 THR HG23 H 1 0.89 0.08 . 1 . . . . . 74 THR MG . 53423 2 80 . 1 . 1 100 100 THR CG2 C 13 20.5 0.08 . 1 . . . . . 74 THR CG2 . 53423 2 81 . 1 . 1 101 101 ILE HD11 H 1 0.1 0.08 . 1 . . . . . 75 ILE MD . 53423 2 82 . 1 . 1 101 101 ILE HD12 H 1 0.1 0.08 . 1 . . . . . 75 ILE MD . 53423 2 83 . 1 . 1 101 101 ILE HD13 H 1 0.1 0.08 . 1 . . . . . 75 ILE MD . 53423 2 84 . 1 . 1 101 101 ILE CD1 C 13 12.45 0.08 . 1 . . . . . 75 ILE CD1 . 53423 2 85 . 1 . 1 104 104 LEU HD21 H 1 0.27 0.08 . 1 . . . . . 78 LEU MD2 . 53423 2 86 . 1 . 1 104 104 LEU HD22 H 1 0.27 0.08 . 1 . . . . . 78 LEU MD2 . 53423 2 87 . 1 . 1 104 104 LEU HD23 H 1 0.27 0.08 . 1 . . . . . 78 LEU MD2 . 53423 2 88 . 1 . 1 104 104 LEU CD2 C 13 25.8 0.08 . 1 . . . . . 78 LEU CD2 . 53423 2 89 . 1 . 1 110 110 ALA HB1 H 1 1.13 0.08 . 1 . . . . . 84 ALA MB . 53423 2 90 . 1 . 1 110 110 ALA HB2 H 1 1.13 0.08 . 1 . . . . . 84 ALA MB . 53423 2 91 . 1 . 1 110 110 ALA HB3 H 1 1.13 0.08 . 1 . . . . . 84 ALA MB . 53423 2 92 . 1 . 1 110 110 ALA CB C 13 20.39 0.08 . 1 . . . . . 84 ALA CB . 53423 2 93 . 1 . 1 115 115 LEU HD21 H 1 -0.42 0.08 . 1 . . . . . 89 LEU MD2 . 53423 2 94 . 1 . 1 115 115 LEU HD22 H 1 -0.42 0.08 . 1 . . . . . 89 LEU MD2 . 53423 2 95 . 1 . 1 115 115 LEU HD23 H 1 -0.42 0.08 . 1 . . . . . 89 LEU MD2 . 53423 2 96 . 1 . 1 115 115 LEU CD2 C 13 25.85 0.08 . 1 . . . . . 89 LEU CD2 . 53423 2 97 . 1 . 1 122 122 THR HG21 H 1 1.71 0.08 . 1 . . . . . 96 THR MG . 53423 2 98 . 1 . 1 122 122 THR HG22 H 1 1.71 0.08 . 1 . . . . . 96 THR MG . 53423 2 99 . 1 . 1 122 122 THR HG23 H 1 1.71 0.08 . 1 . . . . . 96 THR MG . 53423 2 100 . 1 . 1 122 122 THR CG2 C 13 23.13 0.08 . 1 . . . . . 96 THR CG2 . 53423 2 101 . 1 . 1 127 127 THR HG21 H 1 1.06 0.08 . 1 . . . . . 101 THR MG . 53423 2 102 . 1 . 1 127 127 THR HG22 H 1 1.06 0.08 . 1 . . . . . 101 THR MG . 53423 2 103 . 1 . 1 127 127 THR HG23 H 1 1.06 0.08 . 1 . . . . . 101 THR MG . 53423 2 104 . 1 . 1 127 127 THR CG2 C 13 21.42 0.08 . 1 . . . . . 101 THR CG2 . 53423 2 105 . 1 . 1 129 129 VAL HG11 H 1 0.95 0.08 . 1 . . . . . 103 VAL MG1 . 53423 2 106 . 1 . 1 129 129 VAL HG12 H 1 0.95 0.08 . 1 . . . . . 103 VAL MG1 . 53423 2 107 . 1 . 1 129 129 VAL HG13 H 1 0.95 0.08 . 1 . . . . . 103 VAL MG1 . 53423 2 108 . 1 . 1 129 129 VAL CG1 C 13 20.97 0.08 . 1 . . . . . 103 VAL CG1 . 53423 2 109 . 1 . 1 131 131 ILE HD11 H 1 0.41 0.08 . 1 . . . . . 105 ILE MD . 53423 2 110 . 1 . 1 131 131 ILE HD12 H 1 0.41 0.08 . 1 . . . . . 105 ILE MD . 53423 2 111 . 1 . 1 131 131 ILE HD13 H 1 0.41 0.08 . 1 . . . . . 105 ILE MD . 53423 2 112 . 1 . 1 131 131 ILE CD1 C 13 12.84 0.08 . 1 . . . . . 105 ILE CD1 . 53423 2 113 . 1 . 1 134 134 THR HG21 H 1 1.33 0.08 . 1 . . . . . 108 THR MG . 53423 2 114 . 1 . 1 134 134 THR HG22 H 1 1.33 0.08 . 1 . . . . . 108 THR MG . 53423 2 115 . 1 . 1 134 134 THR HG23 H 1 1.33 0.08 . 1 . . . . . 108 THR MG . 53423 2 116 . 1 . 1 134 134 THR CG2 C 13 22.2 0.08 . 1 . . . . . 108 THR CG2 . 53423 2 117 . 1 . 1 135 135 VAL HG11 H 1 1.13 0.08 . 1 . . . . . 109 VAL MG1 . 53423 2 118 . 1 . 1 135 135 VAL HG12 H 1 1.13 0.08 . 1 . . . . . 109 VAL MG1 . 53423 2 119 . 1 . 1 135 135 VAL HG13 H 1 1.13 0.08 . 1 . . . . . 109 VAL MG1 . 53423 2 120 . 1 . 1 135 135 VAL CG1 C 13 20.78 0.08 . 1 . . . . . 109 VAL CG1 . 53423 2 121 . 1 . 1 136 136 ALA HB1 H 1 1.41 0.08 . 1 . . . . . 110 ALA MB . 53423 2 122 . 1 . 1 136 136 ALA HB2 H 1 1.41 0.08 . 1 . . . . . 110 ALA MB . 53423 2 123 . 1 . 1 136 136 ALA HB3 H 1 1.41 0.08 . 1 . . . . . 110 ALA MB . 53423 2 124 . 1 . 1 136 136 ALA CB C 13 20.81 0.08 . 1 . . . . . 110 ALA CB . 53423 2 125 . 1 . 1 137 137 ALA HB1 H 1 1.29 0.08 . 1 . . . . . 111 ALA MB . 53423 2 126 . 1 . 1 137 137 ALA HB2 H 1 1.29 0.08 . 1 . . . . . 111 ALA MB . 53423 2 127 . 1 . 1 137 137 ALA HB3 H 1 1.29 0.08 . 1 . . . . . 111 ALA MB . 53423 2 128 . 1 . 1 137 137 ALA CB C 13 17.56 0.08 . 1 . . . . . 111 ALA CB . 53423 2 129 . 1 . 1 140 140 VAL HG11 H 1 0.68 0.08 . 1 . . . . . 114 VAL MG1 . 53423 2 130 . 1 . 1 140 140 VAL HG12 H 1 0.68 0.08 . 1 . . . . . 114 VAL MG1 . 53423 2 131 . 1 . 1 140 140 VAL HG13 H 1 0.68 0.08 . 1 . . . . . 114 VAL MG1 . 53423 2 132 . 1 . 1 140 140 VAL CG1 C 13 21.66 0.08 . 1 . . . . . 114 VAL CG1 . 53423 2 133 . 1 . 1 142 142 ILE HD11 H 1 1.11 0.08 . 1 . . . . . 116 ILE MD . 53423 2 134 . 1 . 1 142 142 ILE HD12 H 1 1.11 0.08 . 1 . . . . . 116 ILE MD . 53423 2 135 . 1 . 1 142 142 ILE HD13 H 1 1.11 0.08 . 1 . . . . . 116 ILE MD . 53423 2 136 . 1 . 1 142 142 ILE CD1 C 13 15.02 0.08 . 1 . . . . . 116 ILE CD1 . 53423 2 137 . 1 . 1 150 150 LEU HD21 H 1 0.65 0.08 . 1 . . . . . 124 LEU MD2 . 53423 2 138 . 1 . 1 150 150 LEU HD22 H 1 0.65 0.08 . 1 . . . . . 124 LEU MD2 . 53423 2 139 . 1 . 1 150 150 LEU HD23 H 1 0.65 0.08 . 1 . . . . . 124 LEU MD2 . 53423 2 140 . 1 . 1 150 150 LEU CD2 C 13 23.43 0.08 . 1 . . . . . 124 LEU CD2 . 53423 2 141 . 1 . 1 155 155 ALA HB1 H 1 0.44 0.08 . 1 . . . . . 129 ALA MB . 53423 2 142 . 1 . 1 155 155 ALA HB2 H 1 0.44 0.08 . 1 . . . . . 129 ALA MB . 53423 2 143 . 1 . 1 155 155 ALA HB3 H 1 0.44 0.08 . 1 . . . . . 129 ALA MB . 53423 2 144 . 1 . 1 155 155 ALA CB C 13 22.19 0.08 . 1 . . . . . 129 ALA CB . 53423 2 145 . 1 . 1 157 157 VAL HG11 H 1 1.4 0.08 . 1 . . . . . 131 VAL MG1 . 53423 2 146 . 1 . 1 157 157 VAL HG12 H 1 1.4 0.08 . 1 . . . . . 131 VAL MG1 . 53423 2 147 . 1 . 1 157 157 VAL HG13 H 1 1.4 0.08 . 1 . . . . . 131 VAL MG1 . 53423 2 148 . 1 . 1 157 157 VAL CG1 C 13 24.81 0.08 . 1 . . . . . 131 VAL CG1 . 53423 2 149 . 1 . 1 158 158 VAL HG11 H 1 0.8 0.08 . 1 . . . . . 132 VAL MG1 . 53423 2 150 . 1 . 1 158 158 VAL HG12 H 1 0.8 0.08 . 1 . . . . . 132 VAL MG1 . 53423 2 151 . 1 . 1 158 158 VAL HG13 H 1 0.8 0.08 . 1 . . . . . 132 VAL MG1 . 53423 2 152 . 1 . 1 158 158 VAL CG1 C 13 20.1 0.08 . 1 . . . . . 132 VAL CG1 . 53423 2 153 . 1 . 1 160 160 LEU HD21 H 1 0.86 0.08 . 1 . . . . . 134 LEU MD2 . 53423 2 154 . 1 . 1 160 160 LEU HD22 H 1 0.86 0.08 . 1 . . . . . 134 LEU MD2 . 53423 2 155 . 1 . 1 160 160 LEU HD23 H 1 0.86 0.08 . 1 . . . . . 134 LEU MD2 . 53423 2 156 . 1 . 1 160 160 LEU CD2 C 13 25.96 0.08 . 1 . . . . . 134 LEU CD2 . 53423 2 157 . 1 . 1 161 161 LEU HD21 H 1 0.24 0.08 . 1 . . . . . 135 LEU MD2 . 53423 2 158 . 1 . 1 161 161 LEU HD22 H 1 0.24 0.08 . 1 . . . . . 135 LEU MD2 . 53423 2 159 . 1 . 1 161 161 LEU HD23 H 1 0.24 0.08 . 1 . . . . . 135 LEU MD2 . 53423 2 160 . 1 . 1 161 161 LEU CD2 C 13 26.9 0.08 . 1 . . . . . 135 LEU CD2 . 53423 2 161 . 1 . 1 169 169 ALA HB1 H 1 0.89 0.08 . 1 . . . . . 143 ALA MB . 53423 2 162 . 1 . 1 169 169 ALA HB2 H 1 0.89 0.08 . 1 . . . . . 143 ALA MB . 53423 2 163 . 1 . 1 169 169 ALA HB3 H 1 0.89 0.08 . 1 . . . . . 143 ALA MB . 53423 2 164 . 1 . 1 169 169 ALA CB C 13 21.43 0.08 . 1 . . . . . 143 ALA CB . 53423 2 165 . 1 . 1 171 171 VAL HG11 H 1 0.47 0.08 . 1 . . . . . 145 VAL MG1 . 53423 2 166 . 1 . 1 171 171 VAL HG12 H 1 0.47 0.08 . 1 . . . . . 145 VAL MG1 . 53423 2 167 . 1 . 1 171 171 VAL HG13 H 1 0.47 0.08 . 1 . . . . . 145 VAL MG1 . 53423 2 168 . 1 . 1 171 171 VAL CG1 C 13 21.04 0.08 . 1 . . . . . 145 VAL CG1 . 53423 2 169 . 1 . 1 175 175 VAL HG11 H 1 -0.07 0.08 . 1 . . . . . 149 VAL MG1 . 53423 2 170 . 1 . 1 175 175 VAL HG12 H 1 -0.07 0.08 . 1 . . . . . 149 VAL MG1 . 53423 2 171 . 1 . 1 175 175 VAL HG13 H 1 -0.07 0.08 . 1 . . . . . 149 VAL MG1 . 53423 2 172 . 1 . 1 175 175 VAL CG1 C 13 20.67 0.08 . 1 . . . . . 149 VAL CG1 . 53423 2 173 . 1 . 1 178 178 ALA HB1 H 1 1.34 0.08 . 1 . . . . . 152 ALA MB . 53423 2 174 . 1 . 1 178 178 ALA HB2 H 1 1.34 0.08 . 1 . . . . . 152 ALA MB . 53423 2 175 . 1 . 1 178 178 ALA HB3 H 1 1.34 0.08 . 1 . . . . . 152 ALA MB . 53423 2 176 . 1 . 1 178 178 ALA CB C 13 19.41 0.08 . 1 . . . . . 152 ALA CB . 53423 2 177 . 1 . 1 179 179 LEU HD21 H 1 0.87 0.08 . 1 . . . . . 153 LEU MD2 . 53423 2 178 . 1 . 1 179 179 LEU HD22 H 1 0.87 0.08 . 1 . . . . . 153 LEU MD2 . 53423 2 179 . 1 . 1 179 179 LEU HD23 H 1 0.87 0.08 . 1 . . . . . 153 LEU MD2 . 53423 2 180 . 1 . 1 179 179 LEU CD2 C 13 24.72 0.08 . 1 . . . . . 153 LEU CD2 . 53423 2 181 . 1 . 1 188 188 VAL HG11 H 1 1.29 0.08 . 1 . . . . . 162 VAL MG1 . 53423 2 182 . 1 . 1 188 188 VAL HG12 H 1 1.29 0.08 . 1 . . . . . 162 VAL MG1 . 53423 2 183 . 1 . 1 188 188 VAL HG13 H 1 1.29 0.08 . 1 . . . . . 162 VAL MG1 . 53423 2 184 . 1 . 1 188 188 VAL CG1 C 13 20.42 0.08 . 1 . . . . . 162 VAL CG1 . 53423 2 185 . 1 . 1 189 189 THR HG21 H 1 0.77 0.08 . 1 . . . . . 163 THR MG . 53423 2 186 . 1 . 1 189 189 THR HG22 H 1 0.77 0.08 . 1 . . . . . 163 THR MG . 53423 2 187 . 1 . 1 189 189 THR HG23 H 1 0.77 0.08 . 1 . . . . . 163 THR MG . 53423 2 188 . 1 . 1 189 189 THR CG2 C 13 22.96 0.08 . 1 . . . . . 163 THR CG2 . 53423 2 189 . 1 . 1 197 197 THR HG21 H 1 0.76 0.08 . 1 . . . . . 171 THR MG . 53423 2 190 . 1 . 1 197 197 THR HG22 H 1 0.76 0.08 . 1 . . . . . 171 THR MG . 53423 2 191 . 1 . 1 197 197 THR HG23 H 1 0.76 0.08 . 1 . . . . . 171 THR MG . 53423 2 192 . 1 . 1 197 197 THR CG2 C 13 21.21 0.08 . 1 . . . . . 171 THR CG2 . 53423 2 193 . 1 . 1 200 200 LEU HD21 H 1 0.75 0.08 . 1 . . . . . 174 LEU MD2 . 53423 2 194 . 1 . 1 200 200 LEU HD22 H 1 0.75 0.08 . 1 . . . . . 174 LEU MD2 . 53423 2 195 . 1 . 1 200 200 LEU HD23 H 1 0.75 0.08 . 1 . . . . . 174 LEU MD2 . 53423 2 196 . 1 . 1 200 200 LEU CD2 C 13 25.63 0.08 . 1 . . . . . 174 LEU CD2 . 53423 2 197 . 1 . 1 203 203 THR HG21 H 1 0.94 0.08 . 1 . . . . . 177 THR MG . 53423 2 198 . 1 . 1 203 203 THR HG22 H 1 0.94 0.08 . 1 . . . . . 177 THR MG . 53423 2 199 . 1 . 1 203 203 THR HG23 H 1 0.94 0.08 . 1 . . . . . 177 THR MG . 53423 2 200 . 1 . 1 203 203 THR CG2 C 13 20.89 0.08 . 1 . . . . . 177 THR CG2 . 53423 2 201 . 1 . 1 204 204 LEU HD21 H 1 0.31 0.08 . 1 . . . . . 178 LEU MD2 . 53423 2 202 . 1 . 1 204 204 LEU HD22 H 1 0.31 0.08 . 1 . . . . . 178 LEU MD2 . 53423 2 203 . 1 . 1 204 204 LEU HD23 H 1 0.31 0.08 . 1 . . . . . 178 LEU MD2 . 53423 2 204 . 1 . 1 204 204 LEU CD2 C 13 25.4 0.08 . 1 . . . . . 178 LEU CD2 . 53423 2 205 . 1 . 1 206 206 LEU HD21 H 1 0.99 0.08 . 1 . . . . . 180 LEU MD2 . 53423 2 206 . 1 . 1 206 206 LEU HD22 H 1 0.99 0.08 . 1 . . . . . 180 LEU MD2 . 53423 2 207 . 1 . 1 206 206 LEU HD23 H 1 0.99 0.08 . 1 . . . . . 180 LEU MD2 . 53423 2 208 . 1 . 1 206 206 LEU CD2 C 13 24.17 0.08 . 1 . . . . . 180 LEU CD2 . 53423 2 209 . 1 . 1 209 209 ALA HB1 H 1 1.38 0.08 . 1 . . . . . 183 ALA MB . 53423 2 210 . 1 . 1 209 209 ALA HB2 H 1 1.38 0.08 . 1 . . . . . 183 ALA MB . 53423 2 211 . 1 . 1 209 209 ALA HB3 H 1 1.38 0.08 . 1 . . . . . 183 ALA MB . 53423 2 212 . 1 . 1 209 209 ALA CB C 13 18.11 0.08 . 1 . . . . . 183 ALA CB . 53423 2 213 . 1 . 1 216 216 VAL HG11 H 1 0.78 0.08 . 1 . . . . . 190 VAL MG1 . 53423 2 214 . 1 . 1 216 216 VAL HG12 H 1 0.78 0.08 . 1 . . . . . 190 VAL MG1 . 53423 2 215 . 1 . 1 216 216 VAL HG13 H 1 0.78 0.08 . 1 . . . . . 190 VAL MG1 . 53423 2 216 . 1 . 1 216 216 VAL CG1 C 13 21.07 0.08 . 1 . . . . . 190 VAL CG1 . 53423 2 217 . 1 . 1 218 218 ALA HB1 H 1 1.13 0.08 . 1 . . . . . 192 ALA MB . 53423 2 218 . 1 . 1 218 218 ALA HB2 H 1 1.13 0.08 . 1 . . . . . 192 ALA MB . 53423 2 219 . 1 . 1 218 218 ALA HB3 H 1 1.13 0.08 . 1 . . . . . 192 ALA MB . 53423 2 220 . 1 . 1 218 218 ALA CB C 13 23.2 0.08 . 1 . . . . . 192 ALA CB . 53423 2 221 . 1 . 1 221 221 VAL HG11 H 1 0.56 0.08 . 1 . . . . . 195 VAL MG1 . 53423 2 222 . 1 . 1 221 221 VAL HG12 H 1 0.56 0.08 . 1 . . . . . 195 VAL MG1 . 53423 2 223 . 1 . 1 221 221 VAL HG13 H 1 0.56 0.08 . 1 . . . . . 195 VAL MG1 . 53423 2 224 . 1 . 1 221 221 VAL CG1 C 13 20.9 0.08 . 1 . . . . . 195 VAL CG1 . 53423 2 225 . 1 . 1 226 226 LEU HD21 H 1 1.01 0.08 . 1 . . . . . 200 LEU MD2 . 53423 2 226 . 1 . 1 226 226 LEU HD22 H 1 1.01 0.08 . 1 . . . . . 200 LEU MD2 . 53423 2 227 . 1 . 1 226 226 LEU HD23 H 1 1.01 0.08 . 1 . . . . . 200 LEU MD2 . 53423 2 228 . 1 . 1 226 226 LEU CD2 C 13 23.29 0.08 . 1 . . . . . 200 LEU CD2 . 53423 2 229 . 1 . 1 230 230 VAL HG11 H 1 0.85 0.08 . 1 . . . . . 204 VAL MG1 . 53423 2 230 . 1 . 1 230 230 VAL HG12 H 1 0.85 0.08 . 1 . . . . . 204 VAL MG1 . 53423 2 231 . 1 . 1 230 230 VAL HG13 H 1 0.85 0.08 . 1 . . . . . 204 VAL MG1 . 53423 2 232 . 1 . 1 230 230 VAL CG1 C 13 20.71 0.08 . 1 . . . . . 204 VAL CG1 . 53423 2 233 . 1 . 1 231 231 THR HG21 H 1 0.94 0.08 . 1 . . . . . 205 THR MG . 53423 2 234 . 1 . 1 231 231 THR HG22 H 1 0.94 0.08 . 1 . . . . . 205 THR MG . 53423 2 235 . 1 . 1 231 231 THR HG23 H 1 0.94 0.08 . 1 . . . . . 205 THR MG . 53423 2 236 . 1 . 1 231 231 THR CG2 C 13 21.59 0.08 . 1 . . . . . 205 THR CG2 . 53423 2 stop_ save_