data_52243 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52243 _Entry.Title ; Enabling Site-Specific NMR Investigations of Therapeutic Fab using a Cell-Free Based Isotopic Labeling Approach: Application to anti-LAMP1 Fab. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-14 _Entry.Accession_date 2023-12-14 _Entry.Last_release_date 2023-12-14 _Entry.Original_release_date 2023-12-14 _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 'Backbone NMR assignment of the anti-LAMP1 Fab fragment labelled and produced in a cell-free system.' _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 Arthur Giraud . . . . 52243 2 Lionel Imbert . . . 0009-0000-6848-7570 52243 3 Adrien Favier . . . 0000-0003-2511-2300 52243 4 Faustine Henot . . . 0000-0002-5269-8792 52243 5 Francis Duffieux . . . . 52243 6 Camille Samson . . . . 52243 7 Oriane Frances . . . . 52243 8 Elodie Crublet . . . . 52243 9 Jerome Boisbouvier . . . 0000-0003-3278-3639 52243 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Univ. Grenoble Alpes, CNRS, CEA, Institut de Biologie Structurale (IBS)' . 52243 2 . 'Sanofi Research and Development' . 52243 3 . NMR-Bio . 52243 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 52243 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1176 52243 '15N chemical shifts' 372 52243 '1H chemical shifts' 372 52243 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 . . 2024-08-28 . original BMRB . 52243 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52243 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38546905 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Enabling site-specific NMR investigations of therapeutic Fab using a cell-free based isotopic labeling approach: application to anti-LAMP1 Fab ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 78 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 73 _Citation.Page_last 86 _Citation.Year 2024 _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 Arthur Giraud . . . . 52243 1 2 Lionel Imbert . . . . 52243 1 3 Adrien Favier . . . . 52243 1 4 Faustine Henot . . . . 52243 1 5 Francis Duffieux . . . . 52243 1 6 Camille Samson . . . . 52243 1 7 Oriane Samson . . . . 52243 1 8 Elodie Crublet . . . . 52243 1 9 Jerome Boisbouvier . . . . 52243 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52243 _Assembly.ID 1 _Assembly.Name 'Anti-LAMP1 Fab fragment' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _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 47552 _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 'Anti-LAMP1 Fab fragment light chain' 1 $entity_1 . . yes native no no . . . 52243 1 2 'Anti-LAMP1 Fab fragment heavy chain' 2 $entity_2 . . yes native no no . . . 52243 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 24 24 SG . 1 . 1 CYS 89 89 SG . . . . . . . . . . . . 52243 1 2 disulfide single . 1 . 1 CYS 134 134 SG . 1 . 1 CYS 194 194 SG . . . . . . . . . . . . 52243 1 3 disulfide single . 2 . 2 CYS 23 23 SG . 2 . 2 CYS 97 97 SG . . . . . . . . . . . . 52243 1 4 disulfide single . 2 . 2 CYS 146 146 SG . 2 . 2 CYS 202 202 SG . . . . . . . . . . . . 52243 1 5 disulfide single . 1 . 1 CYS 214 214 SG . 2 . 2 CYS 222 222 SG . . . . . . . . . . . . 52243 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52243 _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 ; GDIQMTQSPSSLSASVGDRV TITCKASQDIDRYMAWYQDK PGKAPRLLIHDTSTLQSGVP SRFSGSGSGRDYTLTISNLE PEDFATYYCLQYDNLWTFGG GTKVEIKRTVAAPSVFIFPP SDEQLKSGTASVVCLLNNFY PREAKVQWKVDNALQSGNSQ ESVTEQDSKDSTYSLSSTLT LSKADYEKHKVYACEVTHQG LSSPVTKSFNRGEC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The sequence of the Fab fragment is composed with two amino acids chains: the light chain and the heavy chain. The two chain are linked thanks to a disulfide bond between two cysteines at their C-terminal. ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Anti-LAMP1 Fab fragment' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52243 1 2 . ASP . 52243 1 3 . ILE . 52243 1 4 . GLN . 52243 1 5 . MET . 52243 1 6 . THR . 52243 1 7 . GLN . 52243 1 8 . SER . 52243 1 9 . PRO . 52243 1 10 . SER . 52243 1 11 . SER . 52243 1 12 . LEU . 52243 1 13 . SER . 52243 1 14 . ALA . 52243 1 15 . SER . 52243 1 16 . VAL . 52243 1 17 . GLY . 52243 1 18 . ASP . 52243 1 19 . ARG . 52243 1 20 . VAL . 52243 1 21 . THR . 52243 1 22 . ILE . 52243 1 23 . THR . 52243 1 24 . CYS . 52243 1 25 . LYS . 52243 1 26 . ALA . 52243 1 27 . SER . 52243 1 28 . GLN . 52243 1 29 . ASP . 52243 1 30 . ILE . 52243 1 31 . ASP . 52243 1 32 . ARG . 52243 1 33 . TYR . 52243 1 34 . MET . 52243 1 35 . ALA . 52243 1 36 . TRP . 52243 1 37 . TYR . 52243 1 38 . GLN . 52243 1 39 . ASP . 52243 1 40 . LYS . 52243 1 41 . PRO . 52243 1 42 . GLY . 52243 1 43 . LYS . 52243 1 44 . ALA . 52243 1 45 . PRO . 52243 1 46 . ARG . 52243 1 47 . LEU . 52243 1 48 . LEU . 52243 1 49 . ILE . 52243 1 50 . HIS . 52243 1 51 . ASP . 52243 1 52 . THR . 52243 1 53 . SER . 52243 1 54 . THR . 52243 1 55 . LEU . 52243 1 56 . GLN . 52243 1 57 . SER . 52243 1 58 . GLY . 52243 1 59 . VAL . 52243 1 60 . PRO . 52243 1 61 . SER . 52243 1 62 . ARG . 52243 1 63 . PHE . 52243 1 64 . SER . 52243 1 65 . GLY . 52243 1 66 . SER . 52243 1 67 . GLY . 52243 1 68 . SER . 52243 1 69 . GLY . 52243 1 70 . ARG . 52243 1 71 . ASP . 52243 1 72 . TYR . 52243 1 73 . THR . 52243 1 74 . LEU . 52243 1 75 . THR . 52243 1 76 . ILE . 52243 1 77 . SER . 52243 1 78 . ASN . 52243 1 79 . LEU . 52243 1 80 . GLU . 52243 1 81 . PRO . 52243 1 82 . GLU . 52243 1 83 . ASP . 52243 1 84 . PHE . 52243 1 85 . ALA . 52243 1 86 . THR . 52243 1 87 . TYR . 52243 1 88 . TYR . 52243 1 89 . CYS . 52243 1 90 . LEU . 52243 1 91 . GLN . 52243 1 92 . TYR . 52243 1 93 . ASP . 52243 1 94 . ASN . 52243 1 95 . LEU . 52243 1 96 . TRP . 52243 1 97 . THR . 52243 1 98 . PHE . 52243 1 99 . GLY . 52243 1 100 . GLY . 52243 1 101 . GLY . 52243 1 102 . THR . 52243 1 103 . LYS . 52243 1 104 . VAL . 52243 1 105 . GLU . 52243 1 106 . ILE . 52243 1 107 . LYS . 52243 1 108 . ARG . 52243 1 109 . THR . 52243 1 110 . VAL . 52243 1 111 . ALA . 52243 1 112 . ALA . 52243 1 113 . PRO . 52243 1 114 . SER . 52243 1 115 . VAL . 52243 1 116 . PHE . 52243 1 117 . ILE . 52243 1 118 . PHE . 52243 1 119 . PRO . 52243 1 120 . PRO . 52243 1 121 . SER . 52243 1 122 . ASP . 52243 1 123 . GLU . 52243 1 124 . GLN . 52243 1 125 . LEU . 52243 1 126 . LYS . 52243 1 127 . SER . 52243 1 128 . GLY . 52243 1 129 . THR . 52243 1 130 . ALA . 52243 1 131 . SER . 52243 1 132 . VAL . 52243 1 133 . VAL . 52243 1 134 . CYS . 52243 1 135 . LEU . 52243 1 136 . LEU . 52243 1 137 . ASN . 52243 1 138 . ASN . 52243 1 139 . PHE . 52243 1 140 . TYR . 52243 1 141 . PRO . 52243 1 142 . ARG . 52243 1 143 . GLU . 52243 1 144 . ALA . 52243 1 145 . LYS . 52243 1 146 . VAL . 52243 1 147 . GLN . 52243 1 148 . TRP . 52243 1 149 . LYS . 52243 1 150 . VAL . 52243 1 151 . ASP . 52243 1 152 . ASN . 52243 1 153 . ALA . 52243 1 154 . LEU . 52243 1 155 . GLN . 52243 1 156 . SER . 52243 1 157 . GLY . 52243 1 158 . ASN . 52243 1 159 . SER . 52243 1 160 . GLN . 52243 1 161 . GLU . 52243 1 162 . SER . 52243 1 163 . VAL . 52243 1 164 . THR . 52243 1 165 . GLU . 52243 1 166 . GLN . 52243 1 167 . ASP . 52243 1 168 . SER . 52243 1 169 . LYS . 52243 1 170 . ASP . 52243 1 171 . SER . 52243 1 172 . THR . 52243 1 173 . TYR . 52243 1 174 . SER . 52243 1 175 . LEU . 52243 1 176 . SER . 52243 1 177 . SER . 52243 1 178 . THR . 52243 1 179 . LEU . 52243 1 180 . THR . 52243 1 181 . LEU . 52243 1 182 . SER . 52243 1 183 . LYS . 52243 1 184 . ALA . 52243 1 185 . ASP . 52243 1 186 . TYR . 52243 1 187 . GLU . 52243 1 188 . LYS . 52243 1 189 . HIS . 52243 1 190 . LYS . 52243 1 191 . VAL . 52243 1 192 . TYR . 52243 1 193 . ALA . 52243 1 194 . CYS . 52243 1 195 . GLU . 52243 1 196 . VAL . 52243 1 197 . THR . 52243 1 198 . HIS . 52243 1 199 . GLN . 52243 1 200 . GLY . 52243 1 201 . LEU . 52243 1 202 . SER . 52243 1 203 . SER . 52243 1 204 . PRO . 52243 1 205 . VAL . 52243 1 206 . THR . 52243 1 207 . LYS . 52243 1 208 . SER . 52243 1 209 . PHE . 52243 1 210 . ASN . 52243 1 211 . ARG . 52243 1 212 . GLY . 52243 1 213 . GLU . 52243 1 214 . CYS . 52243 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52243 1 . ASP 2 2 52243 1 . ILE 3 3 52243 1 . GLN 4 4 52243 1 . MET 5 5 52243 1 . THR 6 6 52243 1 . GLN 7 7 52243 1 . SER 8 8 52243 1 . PRO 9 9 52243 1 . SER 10 10 52243 1 . SER 11 11 52243 1 . LEU 12 12 52243 1 . SER 13 13 52243 1 . ALA 14 14 52243 1 . SER 15 15 52243 1 . VAL 16 16 52243 1 . GLY 17 17 52243 1 . ASP 18 18 52243 1 . ARG 19 19 52243 1 . VAL 20 20 52243 1 . THR 21 21 52243 1 . ILE 22 22 52243 1 . THR 23 23 52243 1 . CYS 24 24 52243 1 . LYS 25 25 52243 1 . ALA 26 26 52243 1 . SER 27 27 52243 1 . GLN 28 28 52243 1 . ASP 29 29 52243 1 . ILE 30 30 52243 1 . ASP 31 31 52243 1 . ARG 32 32 52243 1 . TYR 33 33 52243 1 . MET 34 34 52243 1 . ALA 35 35 52243 1 . TRP 36 36 52243 1 . TYR 37 37 52243 1 . GLN 38 38 52243 1 . ASP 39 39 52243 1 . LYS 40 40 52243 1 . PRO 41 41 52243 1 . GLY 42 42 52243 1 . LYS 43 43 52243 1 . ALA 44 44 52243 1 . PRO 45 45 52243 1 . ARG 46 46 52243 1 . LEU 47 47 52243 1 . LEU 48 48 52243 1 . ILE 49 49 52243 1 . HIS 50 50 52243 1 . ASP 51 51 52243 1 . THR 52 52 52243 1 . SER 53 53 52243 1 . THR 54 54 52243 1 . LEU 55 55 52243 1 . GLN 56 56 52243 1 . SER 57 57 52243 1 . GLY 58 58 52243 1 . VAL 59 59 52243 1 . PRO 60 60 52243 1 . SER 61 61 52243 1 . ARG 62 62 52243 1 . PHE 63 63 52243 1 . SER 64 64 52243 1 . GLY 65 65 52243 1 . SER 66 66 52243 1 . GLY 67 67 52243 1 . SER 68 68 52243 1 . GLY 69 69 52243 1 . ARG 70 70 52243 1 . ASP 71 71 52243 1 . TYR 72 72 52243 1 . THR 73 73 52243 1 . LEU 74 74 52243 1 . THR 75 75 52243 1 . ILE 76 76 52243 1 . SER 77 77 52243 1 . ASN 78 78 52243 1 . LEU 79 79 52243 1 . GLU 80 80 52243 1 . PRO 81 81 52243 1 . GLU 82 82 52243 1 . ASP 83 83 52243 1 . PHE 84 84 52243 1 . ALA 85 85 52243 1 . THR 86 86 52243 1 . TYR 87 87 52243 1 . TYR 88 88 52243 1 . CYS 89 89 52243 1 . LEU 90 90 52243 1 . GLN 91 91 52243 1 . TYR 92 92 52243 1 . ASP 93 93 52243 1 . ASN 94 94 52243 1 . LEU 95 95 52243 1 . TRP 96 96 52243 1 . THR 97 97 52243 1 . PHE 98 98 52243 1 . GLY 99 99 52243 1 . GLY 100 100 52243 1 . GLY 101 101 52243 1 . THR 102 102 52243 1 . LYS 103 103 52243 1 . VAL 104 104 52243 1 . GLU 105 105 52243 1 . ILE 106 106 52243 1 . LYS 107 107 52243 1 . ARG 108 108 52243 1 . THR 109 109 52243 1 . VAL 110 110 52243 1 . ALA 111 111 52243 1 . ALA 112 112 52243 1 . PRO 113 113 52243 1 . SER 114 114 52243 1 . VAL 115 115 52243 1 . PHE 116 116 52243 1 . ILE 117 117 52243 1 . PHE 118 118 52243 1 . PRO 119 119 52243 1 . PRO 120 120 52243 1 . SER 121 121 52243 1 . ASP 122 122 52243 1 . GLU 123 123 52243 1 . GLN 124 124 52243 1 . LEU 125 125 52243 1 . LYS 126 126 52243 1 . SER 127 127 52243 1 . GLY 128 128 52243 1 . THR 129 129 52243 1 . ALA 130 130 52243 1 . SER 131 131 52243 1 . VAL 132 132 52243 1 . VAL 133 133 52243 1 . CYS 134 134 52243 1 . LEU 135 135 52243 1 . LEU 136 136 52243 1 . ASN 137 137 52243 1 . ASN 138 138 52243 1 . PHE 139 139 52243 1 . TYR 140 140 52243 1 . PRO 141 141 52243 1 . ARG 142 142 52243 1 . GLU 143 143 52243 1 . ALA 144 144 52243 1 . LYS 145 145 52243 1 . VAL 146 146 52243 1 . GLN 147 147 52243 1 . TRP 148 148 52243 1 . LYS 149 149 52243 1 . VAL 150 150 52243 1 . ASP 151 151 52243 1 . ASN 152 152 52243 1 . ALA 153 153 52243 1 . LEU 154 154 52243 1 . GLN 155 155 52243 1 . SER 156 156 52243 1 . GLY 157 157 52243 1 . ASN 158 158 52243 1 . SER 159 159 52243 1 . GLN 160 160 52243 1 . GLU 161 161 52243 1 . SER 162 162 52243 1 . VAL 163 163 52243 1 . THR 164 164 52243 1 . GLU 165 165 52243 1 . GLN 166 166 52243 1 . ASP 167 167 52243 1 . SER 168 168 52243 1 . LYS 169 169 52243 1 . ASP 170 170 52243 1 . SER 171 171 52243 1 . THR 172 172 52243 1 . TYR 173 173 52243 1 . SER 174 174 52243 1 . LEU 175 175 52243 1 . SER 176 176 52243 1 . SER 177 177 52243 1 . THR 178 178 52243 1 . LEU 179 179 52243 1 . THR 180 180 52243 1 . LEU 181 181 52243 1 . SER 182 182 52243 1 . LYS 183 183 52243 1 . ALA 184 184 52243 1 . ASP 185 185 52243 1 . TYR 186 186 52243 1 . GLU 187 187 52243 1 . LYS 188 188 52243 1 . HIS 189 189 52243 1 . LYS 190 190 52243 1 . VAL 191 191 52243 1 . TYR 192 192 52243 1 . ALA 193 193 52243 1 . CYS 194 194 52243 1 . GLU 195 195 52243 1 . VAL 196 196 52243 1 . THR 197 197 52243 1 . HIS 198 198 52243 1 . GLN 199 199 52243 1 . GLY 200 200 52243 1 . LEU 201 201 52243 1 . SER 202 202 52243 1 . SER 203 203 52243 1 . PRO 204 204 52243 1 . VAL 205 205 52243 1 . THR 206 206 52243 1 . LYS 207 207 52243 1 . SER 208 208 52243 1 . PHE 209 209 52243 1 . ASN 210 210 52243 1 . ARG 211 211 52243 1 . GLY 212 212 52243 1 . GLU 213 213 52243 1 . CYS 214 214 52243 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 52243 _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 ; GQVQLVQSGAEVKKPGSSVK VSCKASGYIFTNYNIHWVKK SPGQGLEWIGAIYPGNGDAP YSQKFQGKATLTADTSTSTT YMELSSLRSEDTAVYYCVRA NWDVAFAYWGQGTLVTVSSA STKGPSVFPLAPSSKSTSGG TAALGCLVKDYFPEPVTVSW NSGALTSGVHTFPAVLQSSG LYSLSSVVTVPSSSLGTQTY ICNVNHKPSNTKVDKKVEPK SCDKTHT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The sequence of the Fab fragment is composed with two amino acids chains: the light chain and the heavy chain. The two chain are linked thanks to a disulfide bond between two cysteines at their C-terminal. ; _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 227 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 52243 2 2 . GLN . 52243 2 3 . VAL . 52243 2 4 . GLN . 52243 2 5 . LEU . 52243 2 6 . VAL . 52243 2 7 . GLN . 52243 2 8 . SER . 52243 2 9 . GLY . 52243 2 10 . ALA . 52243 2 11 . GLU . 52243 2 12 . VAL . 52243 2 13 . LYS . 52243 2 14 . LYS . 52243 2 15 . PRO . 52243 2 16 . GLY . 52243 2 17 . SER . 52243 2 18 . SER . 52243 2 19 . VAL . 52243 2 20 . LYS . 52243 2 21 . VAL . 52243 2 22 . SER . 52243 2 23 . CYS . 52243 2 24 . LYS . 52243 2 25 . ALA . 52243 2 26 . SER . 52243 2 27 . GLY . 52243 2 28 . TYR . 52243 2 29 . ILE . 52243 2 30 . PHE . 52243 2 31 . THR . 52243 2 32 . ASN . 52243 2 33 . TYR . 52243 2 34 . ASN . 52243 2 35 . ILE . 52243 2 36 . HIS . 52243 2 37 . TRP . 52243 2 38 . VAL . 52243 2 39 . LYS . 52243 2 40 . LYS . 52243 2 41 . SER . 52243 2 42 . PRO . 52243 2 43 . GLY . 52243 2 44 . GLN . 52243 2 45 . GLY . 52243 2 46 . LEU . 52243 2 47 . GLU . 52243 2 48 . TRP . 52243 2 49 . ILE . 52243 2 50 . GLY . 52243 2 51 . ALA . 52243 2 52 . ILE . 52243 2 53 . TYR . 52243 2 54 . PRO . 52243 2 55 . GLY . 52243 2 56 . ASN . 52243 2 57 . GLY . 52243 2 58 . ASP . 52243 2 59 . ALA . 52243 2 60 . PRO . 52243 2 61 . TYR . 52243 2 62 . SER . 52243 2 63 . GLN . 52243 2 64 . LYS . 52243 2 65 . PHE . 52243 2 66 . GLN . 52243 2 67 . GLY . 52243 2 68 . LYS . 52243 2 69 . ALA . 52243 2 70 . THR . 52243 2 71 . LEU . 52243 2 72 . THR . 52243 2 73 . ALA . 52243 2 74 . ASP . 52243 2 75 . THR . 52243 2 76 . SER . 52243 2 77 . THR . 52243 2 78 . SER . 52243 2 79 . THR . 52243 2 80 . THR . 52243 2 81 . TYR . 52243 2 82 . MET . 52243 2 83 . GLU . 52243 2 84 . LEU . 52243 2 85 . SER . 52243 2 86 . SER . 52243 2 87 . LEU . 52243 2 88 . ARG . 52243 2 89 . SER . 52243 2 90 . GLU . 52243 2 91 . ASP . 52243 2 92 . THR . 52243 2 93 . ALA . 52243 2 94 . VAL . 52243 2 95 . TYR . 52243 2 96 . TYR . 52243 2 97 . CYS . 52243 2 98 . VAL . 52243 2 99 . ARG . 52243 2 100 . ALA . 52243 2 101 . ASN . 52243 2 102 . TRP . 52243 2 103 . ASP . 52243 2 104 . VAL . 52243 2 105 . ALA . 52243 2 106 . PHE . 52243 2 107 . ALA . 52243 2 108 . TYR . 52243 2 109 . TRP . 52243 2 110 . GLY . 52243 2 111 . GLN . 52243 2 112 . GLY . 52243 2 113 . THR . 52243 2 114 . LEU . 52243 2 115 . VAL . 52243 2 116 . THR . 52243 2 117 . VAL . 52243 2 118 . SER . 52243 2 119 . SER . 52243 2 120 . ALA . 52243 2 121 . SER . 52243 2 122 . THR . 52243 2 123 . LYS . 52243 2 124 . GLY . 52243 2 125 . PRO . 52243 2 126 . SER . 52243 2 127 . VAL . 52243 2 128 . PHE . 52243 2 129 . PRO . 52243 2 130 . LEU . 52243 2 131 . ALA . 52243 2 132 . PRO . 52243 2 133 . SER . 52243 2 134 . SER . 52243 2 135 . LYS . 52243 2 136 . SER . 52243 2 137 . THR . 52243 2 138 . SER . 52243 2 139 . GLY . 52243 2 140 . GLY . 52243 2 141 . THR . 52243 2 142 . ALA . 52243 2 143 . ALA . 52243 2 144 . LEU . 52243 2 145 . GLY . 52243 2 146 . CYS . 52243 2 147 . LEU . 52243 2 148 . VAL . 52243 2 149 . LYS . 52243 2 150 . ASP . 52243 2 151 . TYR . 52243 2 152 . PHE . 52243 2 153 . PRO . 52243 2 154 . GLU . 52243 2 155 . PRO . 52243 2 156 . VAL . 52243 2 157 . THR . 52243 2 158 . VAL . 52243 2 159 . SER . 52243 2 160 . TRP . 52243 2 161 . ASN . 52243 2 162 . SER . 52243 2 163 . GLY . 52243 2 164 . ALA . 52243 2 165 . LEU . 52243 2 166 . THR . 52243 2 167 . SER . 52243 2 168 . GLY . 52243 2 169 . VAL . 52243 2 170 . HIS . 52243 2 171 . THR . 52243 2 172 . PHE . 52243 2 173 . PRO . 52243 2 174 . ALA . 52243 2 175 . VAL . 52243 2 176 . LEU . 52243 2 177 . GLN . 52243 2 178 . SER . 52243 2 179 . SER . 52243 2 180 . GLY . 52243 2 181 . LEU . 52243 2 182 . TYR . 52243 2 183 . SER . 52243 2 184 . LEU . 52243 2 185 . SER . 52243 2 186 . SER . 52243 2 187 . VAL . 52243 2 188 . VAL . 52243 2 189 . THR . 52243 2 190 . VAL . 52243 2 191 . PRO . 52243 2 192 . SER . 52243 2 193 . SER . 52243 2 194 . SER . 52243 2 195 . LEU . 52243 2 196 . GLY . 52243 2 197 . THR . 52243 2 198 . GLN . 52243 2 199 . THR . 52243 2 200 . TYR . 52243 2 201 . ILE . 52243 2 202 . CYS . 52243 2 203 . ASN . 52243 2 204 . VAL . 52243 2 205 . ASN . 52243 2 206 . HIS . 52243 2 207 . LYS . 52243 2 208 . PRO . 52243 2 209 . SER . 52243 2 210 . ASN . 52243 2 211 . THR . 52243 2 212 . LYS . 52243 2 213 . VAL . 52243 2 214 . ASP . 52243 2 215 . LYS . 52243 2 216 . LYS . 52243 2 217 . VAL . 52243 2 218 . GLU . 52243 2 219 . PRO . 52243 2 220 . LYS . 52243 2 221 . SER . 52243 2 222 . CYS . 52243 2 223 . ASP . 52243 2 224 . LYS . 52243 2 225 . THR . 52243 2 226 . HIS . 52243 2 227 . THR . 52243 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 . GLY 1 1 52243 2 . GLN 2 2 52243 2 . VAL 3 3 52243 2 . GLN 4 4 52243 2 . LEU 5 5 52243 2 . VAL 6 6 52243 2 . GLN 7 7 52243 2 . SER 8 8 52243 2 . GLY 9 9 52243 2 . ALA 10 10 52243 2 . GLU 11 11 52243 2 . VAL 12 12 52243 2 . LYS 13 13 52243 2 . LYS 14 14 52243 2 . PRO 15 15 52243 2 . GLY 16 16 52243 2 . SER 17 17 52243 2 . SER 18 18 52243 2 . VAL 19 19 52243 2 . LYS 20 20 52243 2 . VAL 21 21 52243 2 . SER 22 22 52243 2 . CYS 23 23 52243 2 . LYS 24 24 52243 2 . ALA 25 25 52243 2 . SER 26 26 52243 2 . GLY 27 27 52243 2 . TYR 28 28 52243 2 . ILE 29 29 52243 2 . PHE 30 30 52243 2 . THR 31 31 52243 2 . ASN 32 32 52243 2 . TYR 33 33 52243 2 . ASN 34 34 52243 2 . ILE 35 35 52243 2 . HIS 36 36 52243 2 . TRP 37 37 52243 2 . VAL 38 38 52243 2 . LYS 39 39 52243 2 . LYS 40 40 52243 2 . SER 41 41 52243 2 . PRO 42 42 52243 2 . GLY 43 43 52243 2 . GLN 44 44 52243 2 . GLY 45 45 52243 2 . LEU 46 46 52243 2 . GLU 47 47 52243 2 . TRP 48 48 52243 2 . ILE 49 49 52243 2 . GLY 50 50 52243 2 . ALA 51 51 52243 2 . ILE 52 52 52243 2 . TYR 53 53 52243 2 . PRO 54 54 52243 2 . GLY 55 55 52243 2 . ASN 56 56 52243 2 . GLY 57 57 52243 2 . ASP 58 58 52243 2 . ALA 59 59 52243 2 . PRO 60 60 52243 2 . TYR 61 61 52243 2 . SER 62 62 52243 2 . GLN 63 63 52243 2 . LYS 64 64 52243 2 . PHE 65 65 52243 2 . GLN 66 66 52243 2 . GLY 67 67 52243 2 . LYS 68 68 52243 2 . ALA 69 69 52243 2 . THR 70 70 52243 2 . LEU 71 71 52243 2 . THR 72 72 52243 2 . ALA 73 73 52243 2 . ASP 74 74 52243 2 . THR 75 75 52243 2 . SER 76 76 52243 2 . THR 77 77 52243 2 . SER 78 78 52243 2 . THR 79 79 52243 2 . THR 80 80 52243 2 . TYR 81 81 52243 2 . MET 82 82 52243 2 . GLU 83 83 52243 2 . LEU 84 84 52243 2 . SER 85 85 52243 2 . SER 86 86 52243 2 . LEU 87 87 52243 2 . ARG 88 88 52243 2 . SER 89 89 52243 2 . GLU 90 90 52243 2 . ASP 91 91 52243 2 . THR 92 92 52243 2 . ALA 93 93 52243 2 . VAL 94 94 52243 2 . TYR 95 95 52243 2 . TYR 96 96 52243 2 . CYS 97 97 52243 2 . VAL 98 98 52243 2 . ARG 99 99 52243 2 . ALA 100 100 52243 2 . ASN 101 101 52243 2 . TRP 102 102 52243 2 . ASP 103 103 52243 2 . VAL 104 104 52243 2 . ALA 105 105 52243 2 . PHE 106 106 52243 2 . ALA 107 107 52243 2 . TYR 108 108 52243 2 . TRP 109 109 52243 2 . GLY 110 110 52243 2 . GLN 111 111 52243 2 . GLY 112 112 52243 2 . THR 113 113 52243 2 . LEU 114 114 52243 2 . VAL 115 115 52243 2 . THR 116 116 52243 2 . VAL 117 117 52243 2 . SER 118 118 52243 2 . SER 119 119 52243 2 . ALA 120 120 52243 2 . SER 121 121 52243 2 . THR 122 122 52243 2 . LYS 123 123 52243 2 . GLY 124 124 52243 2 . PRO 125 125 52243 2 . SER 126 126 52243 2 . VAL 127 127 52243 2 . PHE 128 128 52243 2 . PRO 129 129 52243 2 . LEU 130 130 52243 2 . ALA 131 131 52243 2 . PRO 132 132 52243 2 . SER 133 133 52243 2 . SER 134 134 52243 2 . LYS 135 135 52243 2 . SER 136 136 52243 2 . THR 137 137 52243 2 . SER 138 138 52243 2 . GLY 139 139 52243 2 . GLY 140 140 52243 2 . THR 141 141 52243 2 . ALA 142 142 52243 2 . ALA 143 143 52243 2 . LEU 144 144 52243 2 . GLY 145 145 52243 2 . CYS 146 146 52243 2 . LEU 147 147 52243 2 . VAL 148 148 52243 2 . LYS 149 149 52243 2 . ASP 150 150 52243 2 . TYR 151 151 52243 2 . PHE 152 152 52243 2 . PRO 153 153 52243 2 . GLU 154 154 52243 2 . PRO 155 155 52243 2 . VAL 156 156 52243 2 . THR 157 157 52243 2 . VAL 158 158 52243 2 . SER 159 159 52243 2 . TRP 160 160 52243 2 . ASN 161 161 52243 2 . SER 162 162 52243 2 . GLY 163 163 52243 2 . ALA 164 164 52243 2 . LEU 165 165 52243 2 . THR 166 166 52243 2 . SER 167 167 52243 2 . GLY 168 168 52243 2 . VAL 169 169 52243 2 . HIS 170 170 52243 2 . THR 171 171 52243 2 . PHE 172 172 52243 2 . PRO 173 173 52243 2 . ALA 174 174 52243 2 . VAL 175 175 52243 2 . LEU 176 176 52243 2 . GLN 177 177 52243 2 . SER 178 178 52243 2 . SER 179 179 52243 2 . GLY 180 180 52243 2 . LEU 181 181 52243 2 . TYR 182 182 52243 2 . SER 183 183 52243 2 . LEU 184 184 52243 2 . SER 185 185 52243 2 . SER 186 186 52243 2 . VAL 187 187 52243 2 . VAL 188 188 52243 2 . THR 189 189 52243 2 . VAL 190 190 52243 2 . PRO 191 191 52243 2 . SER 192 192 52243 2 . SER 193 193 52243 2 . SER 194 194 52243 2 . LEU 195 195 52243 2 . GLY 196 196 52243 2 . THR 197 197 52243 2 . GLN 198 198 52243 2 . THR 199 199 52243 2 . TYR 200 200 52243 2 . ILE 201 201 52243 2 . CYS 202 202 52243 2 . ASN 203 203 52243 2 . VAL 204 204 52243 2 . ASN 205 205 52243 2 . HIS 206 206 52243 2 . LYS 207 207 52243 2 . PRO 208 208 52243 2 . SER 209 209 52243 2 . ASN 210 210 52243 2 . THR 211 211 52243 2 . LYS 212 212 52243 2 . VAL 213 213 52243 2 . ASP 214 214 52243 2 . LYS 215 215 52243 2 . LYS 216 216 52243 2 . VAL 217 217 52243 2 . GLU 218 218 52243 2 . PRO 219 219 52243 2 . LYS 220 220 52243 2 . SER 221 221 52243 2 . CYS 222 222 52243 2 . ASP 223 223 52243 2 . LYS 224 224 52243 2 . THR 225 225 52243 2 . HIS 226 226 52243 2 . THR 227 227 52243 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 52243 _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 . . . . . . . . . . . . . 52243 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52243 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 52243 _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 SHuffle . . plasmid . . 'pIVEX 2.4d' . . . 52243 1 2 2 $entity_2 . 'cell free synthesis' 'Escherichia coli' . . . Escherichia coli SHuffle . . plasmid . . 'pIVEX 2.3d' . . . 52243 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52243 _Sample.ID 1 _Sample.Name 'U-[1H,13C,15N] labelled Anti-LAMP1 Fab fragment' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Anti-LAMP1 Fab fragment light chain' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 300 . . uM . . . . 52243 1 2 'Anti-LAMP1 Fab fragment heavy chain' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 2 $entity_2 . . 300 . . uM . . . . 52243 1 3 MES 'natural abundance' . . . . . . 50 . . mM . . . . 52243 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 52243 1 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . tablet/100mL . . . . 52243 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52243 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'U1H13C15N anti-LAMP1Fab Fragment' _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' 0.1 . M 52243 1 pH 6.5 . pH 52243 1 pressure 1 . atm 52243 1 temperature 308 . K 52243 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52243 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52243 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52243 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52243 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52243 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52243 3 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 52243 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 950' _NMR_spectrometer.Details 'Cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52243 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 700' _NMR_spectrometer.Details 'Cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 52243 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details 'Cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 52243 _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-15N TROSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52243 1 2 '3D BT_HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52243 1 3 '3D BT_HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52243 1 4 '3D BT_HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52243 1 5 '3D BT_HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52243 1 6 '3D BT_HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52243 1 7 '3D BT_HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 52243 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-15N TROSY' B_TROSY_FID . 'Time-domain (raw spectral data)' . . 52243 1 2 '3D BT_HNCO' BT_HNCO_FID . 'Time-domain (raw spectral data)' . . 52243 1 3 '3D BT_HNCA' BT_HNCA_FID . 'Time-domain (raw spectral data)' . . 52243 1 4 '3D BT_HN(CA)CO' BT_HNCACO_FID . 'Time-domain (raw spectral data)' . . 52243 1 5 '3D BT_HNCACB' BT_HNCACB_FID . 'Time-domain (raw spectral data)' . . 52243 1 6 '3D BT_HN(CO)CA' BT_HNCOCA_FID . 'Time-domain (raw spectral data)' . . 52243 1 7 '3D BT_HN(COCA)CB' BT_HNCOCACB_FID . 'Time-domain (raw spectral data)' . . 52243 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 52243 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Anti LAMP1 Fab light chain' _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 protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 52243 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1.0000000 . . . . . 52243 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52243 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 52243 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name 'Anti LAMP1 Fab heavy chain' _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 protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 52243 2 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1.0000000 . . . . . 52243 2 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 52243 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 52243 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Anti LAMP1 Fab light chain' _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-15N TROSY' . . . 52243 1 2 '3D BT_HNCO' . . . 52243 1 3 '3D BT_HNCA' . . . 52243 1 4 '3D BT_HN(CA)CO' . . . 52243 1 5 '3D BT_HNCACB' . . . 52243 1 6 '3D BT_HN(CO)CA' . . . 52243 1 7 '3D BT_HN(COCA)CB' . . . 52243 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 . . 52243 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 . 1 . 1 1 1 GLY C C 13 169.7237463 0 . . . . . . . 1 GLY C . 52243 1 2 . 1 . 1 1 1 GLY CA C 13 43.06636181 0 . . . . . . . 1 GLY CA . 52243 1 3 . 1 . 1 2 2 ASP H H 1 8.406682452 0.006679002932 . . . . . . . 2 ASP H . 52243 1 4 . 1 . 1 2 2 ASP C C 13 176.5043411 0 . . . . . . . 2 ASP C . 52243 1 5 . 1 . 1 2 2 ASP CA C 13 54.1204178 0 . . . . . . . 2 ASP CA . 52243 1 6 . 1 . 1 2 2 ASP CB C 13 40.73477152 0 . . . . . . . 2 ASP CB . 52243 1 7 . 1 . 1 2 2 ASP N N 15 121.7939996 0.1637719489 . . . . . . . 2 ASP N . 52243 1 8 . 1 . 1 3 3 ILE H H 1 8.523440798 0.002755037499 . . . . . . . 3 ILE H . 52243 1 9 . 1 . 1 3 3 ILE C C 13 175.6960255 0 . . . . . . . 3 ILE C . 52243 1 10 . 1 . 1 3 3 ILE CA C 13 62.38707294 0 . . . . . . . 3 ILE CA . 52243 1 11 . 1 . 1 3 3 ILE CB C 13 37.14815275 0 . . . . . . . 3 ILE CB . 52243 1 12 . 1 . 1 3 3 ILE N N 15 123.6068996 0.01791661382 . . . . . . . 3 ILE N . 52243 1 13 . 1 . 1 4 4 GLN H H 1 8.556535949 0.005739310703 . . . . . . . 4 GLN H . 52243 1 14 . 1 . 1 4 4 GLN C C 13 175.199508 0 . . . . . . . 4 GLN C . 52243 1 15 . 1 . 1 4 4 GLN CA C 13 54.50423083 0 . . . . . . . 4 GLN CA . 52243 1 16 . 1 . 1 4 4 GLN CB C 13 30.19097266 0 . . . . . . . 4 GLN CB . 52243 1 17 . 1 . 1 4 4 GLN N N 15 127.9056663 0.02032067858 . . . . . . . 4 GLN N . 52243 1 18 . 1 . 1 5 5 MET H H 1 8.742495587 0.003048063737 . . . . . . . 5 MET H . 52243 1 19 . 1 . 1 5 5 MET C C 13 175.7769166 0 . . . . . . . 5 MET C . 52243 1 20 . 1 . 1 5 5 MET CA C 13 51.94533275 0 . . . . . . . 5 MET CA . 52243 1 21 . 1 . 1 5 5 MET CB C 13 32.22080336 0 . . . . . . . 5 MET CB . 52243 1 22 . 1 . 1 5 5 MET N N 15 121.8650763 0.05690769637 . . . . . . . 5 MET N . 52243 1 23 . 1 . 1 6 6 THR H H 1 9.216779538 0.00484809858 . . . . . . . 6 THR H . 52243 1 24 . 1 . 1 6 6 THR C C 13 173.6830282 0 . . . . . . . 6 THR C . 52243 1 25 . 1 . 1 6 6 THR CA C 13 61.75082678 0 . . . . . . . 6 THR CA . 52243 1 26 . 1 . 1 6 6 THR CB C 13 69.68260856 0 . . . . . . . 6 THR CB . 52243 1 27 . 1 . 1 6 6 THR N N 15 121.1096446 0.01699779181 . . . . . . . 6 THR N . 52243 1 28 . 1 . 1 7 7 GLN H H 1 9.647936595 0.003276130796 . . . . . . . 7 GLN H . 52243 1 29 . 1 . 1 7 7 GLN C C 13 174.9900564 0 . . . . . . . 7 GLN C . 52243 1 30 . 1 . 1 7 7 GLN CA C 13 54.36631746 0 . . . . . . . 7 GLN CA . 52243 1 31 . 1 . 1 7 7 GLN CB C 13 29.15106063 0 . . . . . . . 7 GLN CB . 52243 1 32 . 1 . 1 7 7 GLN N N 15 133.1660785 0.01777914103 . . . . . . . 7 GLN N . 52243 1 33 . 1 . 1 8 8 SER H H 1 9.116915077 0.002444092025 . . . . . . . 8 SER H . 52243 1 34 . 1 . 1 8 8 SER CA C 13 55.14116405 0 . . . . . . . 8 SER CA . 52243 1 35 . 1 . 1 8 8 SER CB C 13 64.86321264 0 . . . . . . . 8 SER CB . 52243 1 36 . 1 . 1 8 8 SER N N 15 121.8049132 0.02187876975 . . . . . . . 8 SER N . 52243 1 37 . 1 . 1 9 9 PRO C C 13 176.0110348 0 . . . . . . . 9 PRO C . 52243 1 38 . 1 . 1 9 9 PRO CA C 13 62.74395247 0 . . . . . . . 9 PRO CA . 52243 1 39 . 1 . 1 9 9 PRO CB C 13 33.98053429 0 . . . . . . . 9 PRO CB . 52243 1 40 . 1 . 1 10 10 SER H H 1 9.111597638 0.002514168437 . . . . . . . 10 SER H . 52243 1 41 . 1 . 1 10 10 SER C C 13 175.7592616 0 . . . . . . . 10 SER C . 52243 1 42 . 1 . 1 10 10 SER CA C 13 60.5280288 0 . . . . . . . 10 SER CA . 52243 1 43 . 1 . 1 10 10 SER CB C 13 62.7189119 0 . . . . . . . 10 SER CB . 52243 1 44 . 1 . 1 10 10 SER N N 15 116.2220956 0.04029572685 . . . . . . . 10 SER N . 52243 1 45 . 1 . 1 11 11 SER H H 1 7.707708307 0.001946531209 . . . . . . . 11 SER H . 52243 1 46 . 1 . 1 11 11 SER C C 13 171.9952479 0 . . . . . . . 11 SER C . 52243 1 47 . 1 . 1 11 11 SER CA C 13 56.92176844 0 . . . . . . . 11 SER CA . 52243 1 48 . 1 . 1 11 11 SER CB C 13 64.58904545 0 . . . . . . . 11 SER CB . 52243 1 49 . 1 . 1 11 11 SER N N 15 115.9128744 0.02295892076 . . . . . . . 11 SER N . 52243 1 50 . 1 . 1 12 12 LEU H H 1 8.937421225 0.004490983874 . . . . . . . 12 LEU H . 52243 1 51 . 1 . 1 12 12 LEU C C 13 174.3826721 0 . . . . . . . 12 LEU C . 52243 1 52 . 1 . 1 12 12 LEU CA C 13 54.59317226 0 . . . . . . . 12 LEU CA . 52243 1 53 . 1 . 1 12 12 LEU CB C 13 45.20052364 0 . . . . . . . 12 LEU CB . 52243 1 54 . 1 . 1 12 12 LEU N N 15 123.7601324 0.02717554114 . . . . . . . 12 LEU N . 52243 1 55 . 1 . 1 13 13 SER H H 1 8.539316094 0.001519220028 . . . . . . . 13 SER H . 52243 1 56 . 1 . 1 13 13 SER C C 13 173.2469477 0 . . . . . . . 13 SER C . 52243 1 57 . 1 . 1 13 13 SER CA C 13 56.29664394 0 . . . . . . . 13 SER CA . 52243 1 58 . 1 . 1 13 13 SER CB C 13 63.86874707 0 . . . . . . . 13 SER CB . 52243 1 59 . 1 . 1 13 13 SER N N 15 118.7253699 0.04937651979 . . . . . . . 13 SER N . 52243 1 60 . 1 . 1 14 14 ALA H H 1 9.032619651 0.00490590963 . . . . . . . 14 ALA H . 52243 1 61 . 1 . 1 14 14 ALA C C 13 175.3694902 0 . . . . . . . 14 ALA C . 52243 1 62 . 1 . 1 14 14 ALA CA C 13 50.76823078 0 . . . . . . . 14 ALA CA . 52243 1 63 . 1 . 1 14 14 ALA CB C 13 22.48749755 0 . . . . . . . 14 ALA CB . 52243 1 64 . 1 . 1 14 14 ALA N N 15 127.8369953 0.02151815613 . . . . . . . 14 ALA N . 52243 1 65 . 1 . 1 15 15 SER H H 1 8.779689417 0.005406299597 . . . . . . . 15 SER H . 52243 1 66 . 1 . 1 15 15 SER C C 13 174.3412662 0 . . . . . . . 15 SER C . 52243 1 67 . 1 . 1 15 15 SER CA C 13 57.3522731 0 . . . . . . . 15 SER CA . 52243 1 68 . 1 . 1 15 15 SER CB C 13 63.59795871 0 . . . . . . . 15 SER CB . 52243 1 69 . 1 . 1 15 15 SER N N 15 118.5432545 0.05721896 . . . . . . . 15 SER N . 52243 1 70 . 1 . 1 16 16 VAL H H 1 8.41668114 0.004532325305 . . . . . . . 16 VAL H . 52243 1 71 . 1 . 1 16 16 VAL C C 13 177.9481667 0 . . . . . . . 16 VAL C . 52243 1 72 . 1 . 1 16 16 VAL CA C 13 65.10225118 0 . . . . . . . 16 VAL CA . 52243 1 73 . 1 . 1 16 16 VAL CB C 13 30.41393067 0 . . . . . . . 16 VAL CB . 52243 1 74 . 1 . 1 16 16 VAL N N 15 123.1622783 0.0352642276 . . . . . . . 16 VAL N . 52243 1 75 . 1 . 1 17 17 GLY H H 1 9.793662317 0.005025666462 . . . . . . . 17 GLY H . 52243 1 76 . 1 . 1 17 17 GLY C C 13 174.4431233 0 . . . . . . . 17 GLY C . 52243 1 77 . 1 . 1 17 17 GLY CA C 13 44.48559822 0 . . . . . . . 17 GLY CA . 52243 1 78 . 1 . 1 17 17 GLY N N 15 118.2644217 0.03268017036 . . . . . . . 17 GLY N . 52243 1 79 . 1 . 1 18 18 ASP H H 1 7.94541757 0.002055592578 . . . . . . . 18 ASP H . 52243 1 80 . 1 . 1 18 18 ASP C C 13 174.0043837 0 . . . . . . . 18 ASP C . 52243 1 81 . 1 . 1 18 18 ASP CA C 13 54.1886867 0 . . . . . . . 18 ASP CA . 52243 1 82 . 1 . 1 18 18 ASP CB C 13 41.37143661 0 . . . . . . . 18 ASP CB . 52243 1 83 . 1 . 1 18 18 ASP N N 15 122.3680607 0.02593657367 . . . . . . . 18 ASP N . 52243 1 84 . 1 . 1 19 19 ARG C C 13 176.6100079 0 . . . . . . . 19 ARG C . 52243 1 85 . 1 . 1 19 19 ARG CA C 13 53.87104798 0 . . . . . . . 19 ARG CA . 52243 1 86 . 1 . 1 19 19 ARG CB C 13 29.07089534 0 . . . . . . . 19 ARG CB . 52243 1 87 . 1 . 1 20 20 VAL H H 1 8.469729577 0.004293825756 . . . . . . . 20 VAL H . 52243 1 88 . 1 . 1 20 20 VAL C C 13 173.748177 0 . . . . . . . 20 VAL C . 52243 1 89 . 1 . 1 20 20 VAL CA C 13 59.31275921 0 . . . . . . . 20 VAL CA . 52243 1 90 . 1 . 1 20 20 VAL CB C 13 34.73087804 0 . . . . . . . 20 VAL CB . 52243 1 91 . 1 . 1 20 20 VAL N N 15 121.8706551 0.04680485886 . . . . . . . 20 VAL N . 52243 1 92 . 1 . 1 21 21 THR H H 1 7.953769874 0.002634164651 . . . . . . . 21 THR H . 52243 1 93 . 1 . 1 21 21 THR C C 13 172.9425307 0 . . . . . . . 21 THR C . 52243 1 94 . 1 . 1 21 21 THR CA C 13 60.93241667 0 . . . . . . . 21 THR CA . 52243 1 95 . 1 . 1 21 21 THR CB C 13 71.02761168 0 . . . . . . . 21 THR CB . 52243 1 96 . 1 . 1 21 21 THR N N 15 117.7331592 0.03793892005 . . . . . . . 21 THR N . 52243 1 97 . 1 . 1 22 22 ILE H H 1 9.081873551 0.004043473666 . . . . . . . 22 ILE H . 52243 1 98 . 1 . 1 22 22 ILE C C 13 174.3615785 0 . . . . . . . 22 ILE C . 52243 1 99 . 1 . 1 22 22 ILE CA C 13 60.57989111 0 . . . . . . . 22 ILE CA . 52243 1 100 . 1 . 1 22 22 ILE CB C 13 40.65196652 0 . . . . . . . 22 ILE CB . 52243 1 101 . 1 . 1 22 22 ILE N N 15 127.9475321 0.01253096299 . . . . . . . 22 ILE N . 52243 1 102 . 1 . 1 23 23 THR H H 1 8.850772023 0.004865401601 . . . . . . . 23 THR H . 52243 1 103 . 1 . 1 23 23 THR C C 13 174.3626889 0 . . . . . . . 23 THR C . 52243 1 104 . 1 . 1 23 23 THR CA C 13 60.83152614 0 . . . . . . . 23 THR CA . 52243 1 105 . 1 . 1 23 23 THR CB C 13 71.54001395 0 . . . . . . . 23 THR CB . 52243 1 106 . 1 . 1 23 23 THR N N 15 118.5221361 0.02214420267 . . . . . . . 23 THR N . 52243 1 107 . 1 . 1 24 24 CYS H H 1 9.641543103 0.01111049407 . . . . . . . 24 CYS H . 52243 1 108 . 1 . 1 24 24 CYS C C 13 172.0148675 0 . . . . . . . 24 CYS C . 52243 1 109 . 1 . 1 24 24 CYS CA C 13 55.21001342 0 . . . . . . . 24 CYS CA . 52243 1 110 . 1 . 1 24 24 CYS CB C 13 47.54023367 0 . . . . . . . 24 CYS CB . 52243 1 111 . 1 . 1 24 24 CYS N N 15 122.6363459 0.0271680412 . . . . . . . 24 CYS N . 52243 1 112 . 1 . 1 25 25 LYS H H 1 8.860680395 0.005103309875 . . . . . . . 25 LYS H . 52243 1 113 . 1 . 1 25 25 LYS C C 13 175.9142651 0 . . . . . . . 25 LYS C . 52243 1 114 . 1 . 1 25 25 LYS CA C 13 53.91067136 0 . . . . . . . 25 LYS CA . 52243 1 115 . 1 . 1 25 25 LYS CB C 13 34.53034348 0 . . . . . . . 25 LYS CB . 52243 1 116 . 1 . 1 25 25 LYS N N 15 125.1181566 0.04611030348 . . . . . . . 25 LYS N . 52243 1 117 . 1 . 1 26 26 ALA H H 1 9.584059933 0.00474082835 . . . . . . . 26 ALA H . 52243 1 118 . 1 . 1 26 26 ALA C C 13 178.7928223 0 . . . . . . . 26 ALA C . 52243 1 119 . 1 . 1 26 26 ALA CA C 13 50.32860105 0 . . . . . . . 26 ALA CA . 52243 1 120 . 1 . 1 26 26 ALA CB C 13 22.77913107 0 . . . . . . . 26 ALA CB . 52243 1 121 . 1 . 1 26 26 ALA N N 15 131.0772949 0.0381802441 . . . . . . . 26 ALA N . 52243 1 122 . 1 . 1 27 27 SER H H 1 8.336599524 0.00272971356 . . . . . . . 27 SER H . 52243 1 123 . 1 . 1 27 27 SER C C 13 173.3909407 0 . . . . . . . 27 SER C . 52243 1 124 . 1 . 1 27 27 SER CA C 13 59.73055207 0 . . . . . . . 27 SER CA . 52243 1 125 . 1 . 1 27 27 SER CB C 13 62.42091113 0 . . . . . . . 27 SER CB . 52243 1 126 . 1 . 1 27 27 SER N N 15 114.0505993 0.03724958928 . . . . . . . 27 SER N . 52243 1 127 . 1 . 1 28 28 GLN H H 1 7.336594124 0.003584783729 . . . . . . . 28 GLN H . 52243 1 128 . 1 . 1 28 28 GLN C C 13 172.7738331 0 . . . . . . . 28 GLN C . 52243 1 129 . 1 . 1 28 28 GLN CA C 13 53.0843981 0 . . . . . . . 28 GLN CA . 52243 1 130 . 1 . 1 28 28 GLN CB C 13 31.90191748 0 . . . . . . . 28 GLN CB . 52243 1 131 . 1 . 1 28 28 GLN N N 15 116.5153061 0.08629361106 . . . . . . . 28 GLN N . 52243 1 132 . 1 . 1 29 29 ASP H H 1 8.30091249 0.00702330644 . . . . . . . 29 ASP H . 52243 1 133 . 1 . 1 29 29 ASP C C 13 176.7110277 0 . . . . . . . 29 ASP C . 52243 1 134 . 1 . 1 29 29 ASP CA C 13 55.66776535 0 . . . . . . . 29 ASP CA . 52243 1 135 . 1 . 1 29 29 ASP CB C 13 40.14257492 0 . . . . . . . 29 ASP CB . 52243 1 136 . 1 . 1 29 29 ASP N N 15 119.1104785 0.05400153906 . . . . . . . 29 ASP N . 52243 1 137 . 1 . 1 32 32 ARG C C 13 177.9450796 0 . . . . . . . 32 ARG C . 52243 1 138 . 1 . 1 32 32 ARG CA C 13 58.13777986 0 . . . . . . . 32 ARG CA . 52243 1 139 . 1 . 1 33 33 TYR H H 1 7.805035875 0.005248528555 . . . . . . . 33 TYR H . 52243 1 140 . 1 . 1 33 33 TYR C C 13 172.4287482 0 . . . . . . . 33 TYR C . 52243 1 141 . 1 . 1 33 33 TYR CA C 13 57.10420472 0 . . . . . . . 33 TYR CA . 52243 1 142 . 1 . 1 33 33 TYR CB C 13 33.64886696 0 . . . . . . . 33 TYR CB . 52243 1 143 . 1 . 1 33 33 TYR N N 15 125.3422456 0.02179158672 . . . . . . . 33 TYR N . 52243 1 144 . 1 . 1 34 34 MET H H 1 7.299697056 0.04590472984 . . . . . . . 34 MET H . 52243 1 145 . 1 . 1 34 34 MET C C 13 173.9729787 0 . . . . . . . 34 MET C . 52243 1 146 . 1 . 1 34 34 MET CA C 13 52.0436234 0 . . . . . . . 34 MET CA . 52243 1 147 . 1 . 1 34 34 MET CB C 13 32.51876926 0 . . . . . . . 34 MET CB . 52243 1 148 . 1 . 1 34 34 MET N N 15 123.1369925 0.1964772665 . . . . . . . 34 MET N . 52243 1 149 . 1 . 1 35 35 ALA H H 1 9.159634972 0.001597381901 . . . . . . . 35 ALA H . 52243 1 150 . 1 . 1 35 35 ALA C C 13 174.818082 0 . . . . . . . 35 ALA C . 52243 1 151 . 1 . 1 35 35 ALA CA C 13 48.76922638 0 . . . . . . . 35 ALA CA . 52243 1 152 . 1 . 1 35 35 ALA CB C 13 23.17928088 0 . . . . . . . 35 ALA CB . 52243 1 153 . 1 . 1 35 35 ALA N N 15 130.1112676 0.1301758143 . . . . . . . 35 ALA N . 52243 1 154 . 1 . 1 36 36 TRP C C 13 174.9390027 0 . . . . . . . 36 TRP C . 52243 1 155 . 1 . 1 36 36 TRP CA C 13 55.43887661 0 . . . . . . . 36 TRP CA . 52243 1 156 . 1 . 1 37 37 TYR H H 1 9.785493276 0.002290955297 . . . . . . . 37 TYR H . 52243 1 157 . 1 . 1 37 37 TYR C C 13 174.9751232 0 . . . . . . . 37 TYR C . 52243 1 158 . 1 . 1 37 37 TYR CA C 13 57.16841292 0 . . . . . . . 37 TYR CA . 52243 1 159 . 1 . 1 37 37 TYR CB C 13 43.12358956 0 . . . . . . . 37 TYR CB . 52243 1 160 . 1 . 1 37 37 TYR N N 15 121.3500677 0.002683669011 . . . . . . . 37 TYR N . 52243 1 161 . 1 . 1 38 38 GLN H H 1 9.390907635 0.004893227116 . . . . . . . 38 GLN H . 52243 1 162 . 1 . 1 38 38 GLN C C 13 173.2343354 0 . . . . . . . 38 GLN C . 52243 1 163 . 1 . 1 38 38 GLN CA C 13 53.90540983 0 . . . . . . . 38 GLN CA . 52243 1 164 . 1 . 1 38 38 GLN CB C 13 33.2307283 0 . . . . . . . 38 GLN CB . 52243 1 165 . 1 . 1 38 38 GLN N N 15 122.0760416 0.00996900729 . . . . . . . 38 GLN N . 52243 1 166 . 1 . 1 39 39 ASP H H 1 9.539403443 0.002468946399 . . . . . . . 39 ASP H . 52243 1 167 . 1 . 1 39 39 ASP C C 13 173.5275953 0 . . . . . . . 39 ASP C . 52243 1 168 . 1 . 1 39 39 ASP CA C 13 53.99880917 0 . . . . . . . 39 ASP CA . 52243 1 169 . 1 . 1 39 39 ASP CB C 13 45.74056112 0 . . . . . . . 39 ASP CB . 52243 1 170 . 1 . 1 39 39 ASP N N 15 131.9843043 0.01357913066 . . . . . . . 39 ASP N . 52243 1 171 . 1 . 1 40 40 LYS H H 1 8.066794775 0.002472491105 . . . . . . . 40 LYS H . 52243 1 172 . 1 . 1 40 40 LYS C C 13 173.9567294 0 . . . . . . . 40 LYS C . 52243 1 173 . 1 . 1 40 40 LYS CA C 13 53.26333469 0 . . . . . . . 40 LYS CA . 52243 1 174 . 1 . 1 40 40 LYS CB C 13 34.0083777 0 . . . . . . . 40 LYS CB . 52243 1 175 . 1 . 1 40 40 LYS N N 15 126.5172142 0.02186803863 . . . . . . . 40 LYS N . 52243 1 176 . 1 . 1 41 41 PRO C C 13 178.3688091 0 . . . . . . . 41 PRO C . 52243 1 177 . 1 . 1 41 41 PRO CA C 13 63.50137034 0 . . . . . . . 41 PRO CA . 52243 1 178 . 1 . 1 41 41 PRO CB C 13 31.10577906 0 . . . . . . . 41 PRO CB . 52243 1 179 . 1 . 1 42 42 GLY H H 1 8.684814681 0.001267678457 . . . . . . . 42 GLY H . 52243 1 180 . 1 . 1 42 42 GLY C C 13 173.6407527 0 . . . . . . . 42 GLY C . 52243 1 181 . 1 . 1 42 42 GLY CA C 13 45.43619439 0 . . . . . . . 42 GLY CA . 52243 1 182 . 1 . 1 42 42 GLY N N 15 111.1466197 0.02691510286 . . . . . . . 42 GLY N . 52243 1 183 . 1 . 1 43 43 LYS H H 1 7.337692833 0.003960816648 . . . . . . . 43 LYS H . 52243 1 184 . 1 . 1 43 43 LYS C C 13 175.0626877 0 . . . . . . . 43 LYS C . 52243 1 185 . 1 . 1 43 43 LYS CA C 13 53.56295922 0 . . . . . . . 43 LYS CA . 52243 1 186 . 1 . 1 43 43 LYS CB C 13 34.91612537 0 . . . . . . . 43 LYS CB . 52243 1 187 . 1 . 1 43 43 LYS N N 15 119.12053 0.02448338256 . . . . . . . 43 LYS N . 52243 1 188 . 1 . 1 44 44 ALA H H 1 8.128849087 0.002144553149 . . . . . . . 44 ALA H . 52243 1 189 . 1 . 1 44 44 ALA C C 13 175.5375391 0 . . . . . . . 44 ALA C . 52243 1 190 . 1 . 1 44 44 ALA CA C 13 49.87164595 0 . . . . . . . 44 ALA CA . 52243 1 191 . 1 . 1 44 44 ALA CB C 13 15.90371859 0 . . . . . . . 44 ALA CB . 52243 1 192 . 1 . 1 44 44 ALA N N 15 123.4230833 0.01441832441 . . . . . . . 44 ALA N . 52243 1 193 . 1 . 1 51 51 ASP C C 13 177.9536448 0 . . . . . . . 51 ASP C . 52243 1 194 . 1 . 1 51 51 ASP CA C 13 56.02824486 0 . . . . . . . 51 ASP CA . 52243 1 195 . 1 . 1 51 51 ASP CB C 13 39.64551535 0 . . . . . . . 51 ASP CB . 52243 1 196 . 1 . 1 52 52 THR H H 1 9.25978309 0.005523595409 . . . . . . . 52 THR H . 52243 1 197 . 1 . 1 52 52 THR C C 13 175.7804372 0 . . . . . . . 52 THR C . 52243 1 198 . 1 . 1 52 52 THR CA C 13 70.73715157 0 . . . . . . . 52 THR CA . 52243 1 199 . 1 . 1 52 52 THR CB C 13 65.43376704 0 . . . . . . . 52 THR CB . 52243 1 200 . 1 . 1 52 52 THR N N 15 108.6138849 0.02129953956 . . . . . . . 52 THR N . 52243 1 201 . 1 . 1 53 53 SER H H 1 8.649692318 0.002121815806 . . . . . . . 53 SER H . 52243 1 202 . 1 . 1 53 53 SER C C 13 174.9641361 0 . . . . . . . 53 SER C . 52243 1 203 . 1 . 1 53 53 SER CA C 13 57.11810434 0 . . . . . . . 53 SER CA . 52243 1 204 . 1 . 1 53 53 SER CB C 13 66.22471184 0 . . . . . . . 53 SER CB . 52243 1 205 . 1 . 1 53 53 SER N N 15 114.6072739 0.007217739392 . . . . . . . 53 SER N . 52243 1 206 . 1 . 1 54 54 THR H H 1 8.591119921 0.03258206583 . . . . . . . 54 THR H . 52243 1 207 . 1 . 1 54 54 THR C C 13 172.5312155 0 . . . . . . . 54 THR C . 52243 1 208 . 1 . 1 54 54 THR CA C 13 62.94583329 0 . . . . . . . 54 THR CA . 52243 1 209 . 1 . 1 54 54 THR CB C 13 67.87335668 0 . . . . . . . 54 THR CB . 52243 1 210 . 1 . 1 54 54 THR N N 15 123.1313794 0.137907039 . . . . . . . 54 THR N . 52243 1 211 . 1 . 1 55 55 LEU H H 1 8.505095963 0.007003913408 . . . . . . . 55 LEU H . 52243 1 212 . 1 . 1 55 55 LEU C C 13 178.175101 0 . . . . . . . 55 LEU C . 52243 1 213 . 1 . 1 55 55 LEU CA C 13 55.2188785 0 . . . . . . . 55 LEU CA . 52243 1 214 . 1 . 1 55 55 LEU CB C 13 42.06084127 0 . . . . . . . 55 LEU CB . 52243 1 215 . 1 . 1 55 55 LEU N N 15 130.5136729 0.04200041733 . . . . . . . 55 LEU N . 52243 1 216 . 1 . 1 56 56 GLN H H 1 7.918496104 0.007510774579 . . . . . . . 56 GLN H . 52243 1 217 . 1 . 1 56 56 GLN C C 13 175.7587332 0 . . . . . . . 56 GLN C . 52243 1 218 . 1 . 1 56 56 GLN CA C 13 54.44315108 0 . . . . . . . 56 GLN CA . 52243 1 219 . 1 . 1 56 56 GLN CB C 13 28.56951858 0 . . . . . . . 56 GLN CB . 52243 1 220 . 1 . 1 56 56 GLN N N 15 125.0742136 0.08106055497 . . . . . . . 56 GLN N . 52243 1 221 . 1 . 1 57 57 SER H H 1 8.047005323 0.01000310412 . . . . . . . 57 SER H . 52243 1 222 . 1 . 1 57 57 SER C C 13 175.7955539 0 . . . . . . . 57 SER C . 52243 1 223 . 1 . 1 57 57 SER CA C 13 59.72520069 0 . . . . . . . 57 SER CA . 52243 1 224 . 1 . 1 57 57 SER CB C 13 62.34038562 0 . . . . . . . 57 SER CB . 52243 1 225 . 1 . 1 57 57 SER N N 15 119.4827863 0.0276049084 . . . . . . . 57 SER N . 52243 1 226 . 1 . 1 58 58 GLY H H 1 8.723768399 0.002770307032 . . . . . . . 58 GLY H . 52243 1 227 . 1 . 1 58 58 GLY C C 13 174.0815802 0 . . . . . . . 58 GLY C . 52243 1 228 . 1 . 1 58 58 GLY CA C 13 44.93613819 0 . . . . . . . 58 GLY CA . 52243 1 229 . 1 . 1 58 58 GLY N N 15 114.7606275 0.03282574513 . . . . . . . 58 GLY N . 52243 1 230 . 1 . 1 59 59 VAL H H 1 7.642906467 0.004348868843 . . . . . . . 59 VAL H . 52243 1 231 . 1 . 1 59 59 VAL C C 13 174.1527294 0 . . . . . . . 59 VAL C . 52243 1 232 . 1 . 1 59 59 VAL CA C 13 59.87630997 0 . . . . . . . 59 VAL CA . 52243 1 233 . 1 . 1 59 59 VAL CB C 13 31.80604884 0 . . . . . . . 59 VAL CB . 52243 1 234 . 1 . 1 59 59 VAL N N 15 125.0991662 0.0282378283 . . . . . . . 59 VAL N . 52243 1 235 . 1 . 1 60 60 PRO C C 13 176.8304273 0 . . . . . . . 60 PRO C . 52243 1 236 . 1 . 1 60 60 PRO CA C 13 62.74088714 0 . . . . . . . 60 PRO CA . 52243 1 237 . 1 . 1 60 60 PRO CB C 13 32.77733793 0 . . . . . . . 60 PRO CB . 52243 1 238 . 1 . 1 61 61 SER H H 1 8.335776259 0.005099866895 . . . . . . . 61 SER H . 52243 1 239 . 1 . 1 61 61 SER C C 13 174.2019274 0 . . . . . . . 61 SER C . 52243 1 240 . 1 . 1 61 61 SER CA C 13 59.75290048 0 . . . . . . . 61 SER CA . 52243 1 241 . 1 . 1 61 61 SER CB C 13 62.441358 0 . . . . . . . 61 SER CB . 52243 1 242 . 1 . 1 61 61 SER N N 15 113.7001892 0.03147704268 . . . . . . . 61 SER N . 52243 1 243 . 1 . 1 62 62 ARG H H 1 6.877687103 0.005396794734 . . . . . . . 62 ARG H . 52243 1 244 . 1 . 1 62 62 ARG C C 13 175.7324367 0 . . . . . . . 62 ARG C . 52243 1 245 . 1 . 1 62 62 ARG CA C 13 56.74880321 0 . . . . . . . 62 ARG CA . 52243 1 246 . 1 . 1 62 62 ARG CB C 13 28.30629738 0 . . . . . . . 62 ARG CB . 52243 1 247 . 1 . 1 62 62 ARG N N 15 117.1963514 0.0345641453 . . . . . . . 62 ARG N . 52243 1 248 . 1 . 1 63 63 PHE H H 1 7.526519813 0.005366459024 . . . . . . . 63 PHE H . 52243 1 249 . 1 . 1 63 63 PHE C C 13 173.9368257 0 . . . . . . . 63 PHE C . 52243 1 250 . 1 . 1 63 63 PHE CA C 13 57.85344603 0 . . . . . . . 63 PHE CA . 52243 1 251 . 1 . 1 63 63 PHE CB C 13 39.20064002 0 . . . . . . . 63 PHE CB . 52243 1 252 . 1 . 1 63 63 PHE N N 15 120.7671009 0.05284583299 . . . . . . . 63 PHE N . 52243 1 253 . 1 . 1 64 64 SER H H 1 8.644559373 0.001972600896 . . . . . . . 64 SER H . 52243 1 254 . 1 . 1 64 64 SER C C 13 172.7483989 0 . . . . . . . 64 SER C . 52243 1 255 . 1 . 1 64 64 SER CA C 13 56.66580682 0 . . . . . . . 64 SER CA . 52243 1 256 . 1 . 1 64 64 SER CB C 13 65.05294004 0 . . . . . . . 64 SER CB . 52243 1 257 . 1 . 1 64 64 SER N N 15 113.5624414 0.04485423013 . . . . . . . 64 SER N . 52243 1 258 . 1 . 1 65 65 GLY H H 1 8.862179084 0.005190901098 . . . . . . . 65 GLY H . 52243 1 259 . 1 . 1 65 65 GLY C C 13 172.7980121 0 . . . . . . . 65 GLY C . 52243 1 260 . 1 . 1 65 65 GLY CA C 13 43.6116362 0 . . . . . . . 65 GLY CA . 52243 1 261 . 1 . 1 65 65 GLY N N 15 111.7768806 0.025110982 . . . . . . . 65 GLY N . 52243 1 262 . 1 . 1 66 66 SER H H 1 8.840722208 0.007229686342 . . . . . . . 66 SER H . 52243 1 263 . 1 . 1 66 66 SER C C 13 173.665619 0 . . . . . . . 66 SER C . 52243 1 264 . 1 . 1 66 66 SER CA C 13 56.69007739 0 . . . . . . . 66 SER CA . 52243 1 265 . 1 . 1 66 66 SER CB C 13 65.54703271 0 . . . . . . . 66 SER CB . 52243 1 266 . 1 . 1 66 66 SER N N 15 115.7234371 0.02869864662 . . . . . . . 66 SER N . 52243 1 267 . 1 . 1 67 67 GLY H H 1 8.220431782 0.004237352602 . . . . . . . 67 GLY H . 52243 1 268 . 1 . 1 67 67 GLY C C 13 171.7665003 0 . . . . . . . 67 GLY C . 52243 1 269 . 1 . 1 67 67 GLY CA C 13 45.43172673 0 . . . . . . . 67 GLY CA . 52243 1 270 . 1 . 1 67 67 GLY N N 15 110.9774824 0.01729191099 . . . . . . . 67 GLY N . 52243 1 271 . 1 . 1 68 68 SER H H 1 7.37691832 0.01617331832 . . . . . . . 68 SER H . 52243 1 272 . 1 . 1 68 68 SER C C 13 174.1453648 0 . . . . . . . 68 SER C . 52243 1 273 . 1 . 1 68 68 SER CA C 13 57.76279589 0 . . . . . . . 68 SER CA . 52243 1 274 . 1 . 1 68 68 SER CB C 13 63.25003917 0 . . . . . . . 68 SER CB . 52243 1 275 . 1 . 1 68 68 SER N N 15 111.056626 0.1633461114 . . . . . . . 68 SER N . 52243 1 276 . 1 . 1 69 69 GLY H H 1 8.998922003 0.01526663126 . . . . . . . 69 GLY H . 52243 1 277 . 1 . 1 69 69 GLY C C 13 175.6356189 0 . . . . . . . 69 GLY C . 52243 1 278 . 1 . 1 69 69 GLY CA C 13 47.49624272 0 . . . . . . . 69 GLY CA . 52243 1 279 . 1 . 1 69 69 GLY N N 15 111.9929076 0.09883727476 . . . . . . . 69 GLY N . 52243 1 280 . 1 . 1 70 70 ARG H H 1 9.226283684 0.02283105468 . . . . . . . 70 ARG H . 52243 1 281 . 1 . 1 70 70 ARG C C 13 174.8045622 0 . . . . . . . 70 ARG C . 52243 1 282 . 1 . 1 70 70 ARG CA C 13 56.10491184 0 . . . . . . . 70 ARG CA . 52243 1 283 . 1 . 1 70 70 ARG CB C 13 31.20091108 0 . . . . . . . 70 ARG CB . 52243 1 284 . 1 . 1 70 70 ARG N N 15 129.7021378 0.1658217 . . . . . . . 70 ARG N . 52243 1 285 . 1 . 1 71 71 ASP H H 1 7.534792712 0.008949537563 . . . . . . . 71 ASP H . 52243 1 286 . 1 . 1 71 71 ASP C C 13 173.5824826 0 . . . . . . . 71 ASP C . 52243 1 287 . 1 . 1 71 71 ASP CA C 13 54.70463551 0 . . . . . . . 71 ASP CA . 52243 1 288 . 1 . 1 71 71 ASP CB C 13 43.60658156 0 . . . . . . . 71 ASP CB . 52243 1 289 . 1 . 1 71 71 ASP N N 15 119.7431586 0.0918634939 . . . . . . . 71 ASP N . 52243 1 290 . 1 . 1 72 72 TYR H H 1 8.839449593 0.01719931519 . . . . . . . 72 TYR H . 52243 1 291 . 1 . 1 72 72 TYR C C 13 175.5010973 0 . . . . . . . 72 TYR C . 52243 1 292 . 1 . 1 72 72 TYR CA C 13 57.57424496 0 . . . . . . . 72 TYR CA . 52243 1 293 . 1 . 1 72 72 TYR CB C 13 42.21844453 0 . . . . . . . 72 TYR CB . 52243 1 294 . 1 . 1 72 72 TYR N N 15 122.4699416 0.05266371704 . . . . . . . 72 TYR N . 52243 1 295 . 1 . 1 73 73 THR H H 1 8.885372052 0.005597383193 . . . . . . . 73 THR H . 52243 1 296 . 1 . 1 73 73 THR C C 13 172.2481925 0 . . . . . . . 73 THR C . 52243 1 297 . 1 . 1 73 73 THR CA C 13 60.64445065 0 . . . . . . . 73 THR CA . 52243 1 298 . 1 . 1 73 73 THR CB C 13 72.51427909 0 . . . . . . . 73 THR CB . 52243 1 299 . 1 . 1 73 73 THR N N 15 115.5611731 0.05815373197 . . . . . . . 73 THR N . 52243 1 300 . 1 . 1 74 74 LEU H H 1 8.557300875 0.004491961061 . . . . . . . 74 LEU H . 52243 1 301 . 1 . 1 74 74 LEU C C 13 174.4336741 0 . . . . . . . 74 LEU C . 52243 1 302 . 1 . 1 74 74 LEU CA C 13 52.65497398 0 . . . . . . . 74 LEU CA . 52243 1 303 . 1 . 1 74 74 LEU CB C 13 40.25037955 0 . . . . . . . 74 LEU CB . 52243 1 304 . 1 . 1 74 74 LEU N N 15 128.2798267 0.07447668694 . . . . . . . 74 LEU N . 52243 1 305 . 1 . 1 75 75 THR H H 1 8.873455347 0.002702584491 . . . . . . . 75 THR H . 52243 1 306 . 1 . 1 75 75 THR C C 13 173.3179849 0 . . . . . . . 75 THR C . 52243 1 307 . 1 . 1 75 75 THR CA C 13 60.45781814 0 . . . . . . . 75 THR CA . 52243 1 308 . 1 . 1 75 75 THR CB C 13 70.10876295 0 . . . . . . . 75 THR CB . 52243 1 309 . 1 . 1 75 75 THR N N 15 123.3424906 0.02851629506 . . . . . . . 75 THR N . 52243 1 310 . 1 . 1 76 76 ILE H H 1 8.550960104 0.002642184813 . . . . . . . 76 ILE H . 52243 1 311 . 1 . 1 76 76 ILE C C 13 175.9467691 0 . . . . . . . 76 ILE C . 52243 1 312 . 1 . 1 76 76 ILE CA C 13 59.64986112 0 . . . . . . . 76 ILE CA . 52243 1 313 . 1 . 1 76 76 ILE CB C 13 37.57919536 0 . . . . . . . 76 ILE CB . 52243 1 314 . 1 . 1 76 76 ILE N N 15 126.7666519 0.02581058685 . . . . . . . 76 ILE N . 52243 1 315 . 1 . 1 77 77 SER H H 1 8.563921766 0.006256984685 . . . . . . . 77 SER H . 52243 1 316 . 1 . 1 77 77 SER C C 13 172.748167 0 . . . . . . . 77 SER C . 52243 1 317 . 1 . 1 77 77 SER CA C 13 59.38467738 0 . . . . . . . 77 SER CA . 52243 1 318 . 1 . 1 77 77 SER CB C 13 63.13407168 0 . . . . . . . 77 SER CB . 52243 1 319 . 1 . 1 77 77 SER N N 15 121.3493438 0.04284524924 . . . . . . . 77 SER N . 52243 1 320 . 1 . 1 78 78 ASN H H 1 6.996451586 0.008468674014 . . . . . . . 78 ASN H . 52243 1 321 . 1 . 1 78 78 ASN C C 13 173.5248848 0 . . . . . . . 78 ASN C . 52243 1 322 . 1 . 1 78 78 ASN CA C 13 52.85481398 0 . . . . . . . 78 ASN CA . 52243 1 323 . 1 . 1 78 78 ASN CB C 13 38.03494179 0 . . . . . . . 78 ASN CB . 52243 1 324 . 1 . 1 78 78 ASN N N 15 116.4714163 0.02541236798 . . . . . . . 78 ASN N . 52243 1 325 . 1 . 1 79 79 LEU H H 1 8.173638078 0.002247060566 . . . . . . . 79 LEU H . 52243 1 326 . 1 . 1 79 79 LEU C C 13 177.7450739 0 . . . . . . . 79 LEU C . 52243 1 327 . 1 . 1 79 79 LEU CA C 13 56.44899251 0 . . . . . . . 79 LEU CA . 52243 1 328 . 1 . 1 79 79 LEU CB C 13 42.4073518 0 . . . . . . . 79 LEU CB . 52243 1 329 . 1 . 1 79 79 LEU N N 15 119.9271217 0.03271439655 . . . . . . . 79 LEU N . 52243 1 330 . 1 . 1 80 80 GLU H H 1 9.007317862 0.002738063297 . . . . . . . 80 GLU H . 52243 1 331 . 1 . 1 80 80 GLU C C 13 175.638575 0 . . . . . . . 80 GLU C . 52243 1 332 . 1 . 1 80 80 GLU CA C 13 53.4696648 0 . . . . . . . 80 GLU CA . 52243 1 333 . 1 . 1 80 80 GLU CB C 13 29.29429377 0 . . . . . . . 80 GLU CB . 52243 1 334 . 1 . 1 80 80 GLU N N 15 126.4647899 0.04790570282 . . . . . . . 80 GLU N . 52243 1 335 . 1 . 1 82 82 GLU H H 1 8.682746951 0.01146226914 . . . . . . . 82 GLU H . 52243 1 336 . 1 . 1 82 82 GLU C C 13 176.483608 0 . . . . . . . 82 GLU C . 52243 1 337 . 1 . 1 82 82 GLU CA C 13 57.25219849 0 . . . . . . . 82 GLU CA . 52243 1 338 . 1 . 1 82 82 GLU CB C 13 28.19696038 0 . . . . . . . 82 GLU CB . 52243 1 339 . 1 . 1 82 82 GLU N N 15 113.7594071 0.03475886266 . . . . . . . 82 GLU N . 52243 1 340 . 1 . 1 83 83 ASP H H 1 8.393013662 0.001403484051 . . . . . . . 83 ASP H . 52243 1 341 . 1 . 1 83 83 ASP C C 13 177.9554674 0 . . . . . . . 83 ASP C . 52243 1 342 . 1 . 1 83 83 ASP CA C 13 54.33503708 0 . . . . . . . 83 ASP CA . 52243 1 343 . 1 . 1 83 83 ASP CB C 13 41.07659509 0 . . . . . . . 83 ASP CB . 52243 1 344 . 1 . 1 83 83 ASP N N 15 119.8506168 0.01093852335 . . . . . . . 83 ASP N . 52243 1 345 . 1 . 1 84 84 PHE H H 1 7.165800595 0.001867043918 . . . . . . . 84 PHE H . 52243 1 346 . 1 . 1 84 84 PHE C C 13 173.8194567 0 . . . . . . . 84 PHE C . 52243 1 347 . 1 . 1 84 84 PHE CA C 13 60.84451176 0 . . . . . . . 84 PHE CA . 52243 1 348 . 1 . 1 84 84 PHE CB C 13 36.41901703 0 . . . . . . . 84 PHE CB . 52243 1 349 . 1 . 1 84 84 PHE N N 15 122.0600123 0.01740213403 . . . . . . . 84 PHE N . 52243 1 350 . 1 . 1 85 85 ALA H H 1 7.698045983 0.003162570211 . . . . . . . 85 ALA H . 52243 1 351 . 1 . 1 85 85 ALA C C 13 174.9584462 0 . . . . . . . 85 ALA C . 52243 1 352 . 1 . 1 85 85 ALA CA C 13 50.97384547 0 . . . . . . . 85 ALA CA . 52243 1 353 . 1 . 1 85 85 ALA CB C 13 19.54108618 0 . . . . . . . 85 ALA CB . 52243 1 354 . 1 . 1 85 85 ALA N N 15 128.4972926 0.01808699155 . . . . . . . 85 ALA N . 52243 1 355 . 1 . 1 86 86 THR H H 1 7.856081532 0.005377226741 . . . . . . . 86 THR H . 52243 1 356 . 1 . 1 86 86 THR C C 13 173.0766183 0 . . . . . . . 86 THR C . 52243 1 357 . 1 . 1 86 86 THR CA C 13 61.52450827 0 . . . . . . . 86 THR CA . 52243 1 358 . 1 . 1 86 86 THR CB C 13 68.63855259 0 . . . . . . . 86 THR CB . 52243 1 359 . 1 . 1 86 86 THR N N 15 115.4559451 0.04829713859 . . . . . . . 86 THR N . 52243 1 360 . 1 . 1 87 87 TYR H H 1 8.772326596 0.001930143623 . . . . . . . 87 TYR H . 52243 1 361 . 1 . 1 87 87 TYR C C 13 176.6050495 0 . . . . . . . 87 TYR C . 52243 1 362 . 1 . 1 87 87 TYR CA C 13 56.66670703 0 . . . . . . . 87 TYR CA . 52243 1 363 . 1 . 1 87 87 TYR CB C 13 41.61117725 0 . . . . . . . 87 TYR CB . 52243 1 364 . 1 . 1 87 87 TYR N N 15 124.9744853 0.0237645973 . . . . . . . 87 TYR N . 52243 1 365 . 1 . 1 88 88 TYR H H 1 9.573157726 0.003540125632 . . . . . . . 88 TYR H . 52243 1 366 . 1 . 1 88 88 TYR C C 13 175.0431491 0 . . . . . . . 88 TYR C . 52243 1 367 . 1 . 1 88 88 TYR CA C 13 57.84373326 0 . . . . . . . 88 TYR CA . 52243 1 368 . 1 . 1 88 88 TYR CB C 13 43.21282399 0 . . . . . . . 88 TYR CB . 52243 1 369 . 1 . 1 88 88 TYR N N 15 120.8886636 0.02978851362 . . . . . . . 88 TYR N . 52243 1 370 . 1 . 1 89 89 CYS H H 1 7.653784621 0.003443440537 . . . . . . . 89 CYS H . 52243 1 371 . 1 . 1 89 89 CYS C C 13 172.4424016 0 . . . . . . . 89 CYS C . 52243 1 372 . 1 . 1 89 89 CYS CA C 13 52.80378401 0 . . . . . . . 89 CYS CA . 52243 1 373 . 1 . 1 89 89 CYS CB C 13 44.46991783 0 . . . . . . . 89 CYS CB . 52243 1 374 . 1 . 1 89 89 CYS N N 15 118.0590451 0.02886301786 . . . . . . . 89 CYS N . 52243 1 375 . 1 . 1 90 90 LEU H H 1 8.406036464 0.01164436557 . . . . . . . 90 LEU H . 52243 1 376 . 1 . 1 90 90 LEU C C 13 174.7645816 0 . . . . . . . 90 LEU C . 52243 1 377 . 1 . 1 90 90 LEU CA C 13 53.97801103 0 . . . . . . . 90 LEU CA . 52243 1 378 . 1 . 1 90 90 LEU CB C 13 43.77950035 0 . . . . . . . 90 LEU CB . 52243 1 379 . 1 . 1 90 90 LEU N N 15 124.2069554 0.0113975719 . . . . . . . 90 LEU N . 52243 1 380 . 1 . 1 91 91 GLN H H 1 8.248162621 0.003496429973 . . . . . . . 91 GLN H . 52243 1 381 . 1 . 1 91 91 GLN C C 13 174.5137711 0 . . . . . . . 91 GLN C . 52243 1 382 . 1 . 1 91 91 GLN CA C 13 51.77570861 0 . . . . . . . 91 GLN CA . 52243 1 383 . 1 . 1 91 91 GLN CB C 13 27.67907794 0 . . . . . . . 91 GLN CB . 52243 1 384 . 1 . 1 91 91 GLN N N 15 125.1871237 0.09087200028 . . . . . . . 91 GLN N . 52243 1 385 . 1 . 1 96 96 TRP C C 13 177.2494148 0 . . . . . . . 96 TRP C . 52243 1 386 . 1 . 1 96 96 TRP CA C 13 53.59174364 0 . . . . . . . 96 TRP CA . 52243 1 387 . 1 . 1 97 97 THR H H 1 7.718210532 0.01617470503 . . . . . . . 97 THR H . 52243 1 388 . 1 . 1 97 97 THR C C 13 173.8782916 0 . . . . . . . 97 THR C . 52243 1 389 . 1 . 1 97 97 THR CA C 13 62.04966171 0 . . . . . . . 97 THR CA . 52243 1 390 . 1 . 1 97 97 THR CB C 13 71.92519406 0 . . . . . . . 97 THR CB . 52243 1 391 . 1 . 1 97 97 THR N N 15 112.0793957 0.07266455283 . . . . . . . 97 THR N . 52243 1 392 . 1 . 1 98 98 PHE H H 1 8.888532634 0.006721389303 . . . . . . . 98 PHE H . 52243 1 393 . 1 . 1 98 98 PHE C C 13 178.8400987 0 . . . . . . . 98 PHE C . 52243 1 394 . 1 . 1 98 98 PHE CA C 13 58.03286999 0 . . . . . . . 98 PHE CA . 52243 1 395 . 1 . 1 98 98 PHE CB C 13 40.73621651 0 . . . . . . . 98 PHE CB . 52243 1 396 . 1 . 1 98 98 PHE N N 15 126.9219798 0.04630378765 . . . . . . . 98 PHE N . 52243 1 397 . 1 . 1 99 99 GLY H H 1 8.994393839 0.004579928333 . . . . . . . 99 GLY H . 52243 1 398 . 1 . 1 99 99 GLY C C 13 174.5855384 0 . . . . . . . 99 GLY C . 52243 1 399 . 1 . 1 99 99 GLY CA C 13 44.38731756 0 . . . . . . . 99 GLY CA . 52243 1 400 . 1 . 1 99 99 GLY N N 15 107.6512068 0.02029370347 . . . . . . . 99 GLY N . 52243 1 401 . 1 . 1 100 100 GLY H H 1 8.202100979 0.008908636961 . . . . . . . 100 GLY H . 52243 1 402 . 1 . 1 100 100 GLY C C 13 175.1397042 0 . . . . . . . 100 GLY C . 52243 1 403 . 1 . 1 100 100 GLY CA C 13 46.12419632 0 . . . . . . . 100 GLY CA . 52243 1 404 . 1 . 1 100 100 GLY N N 15 104.9533607 0.02413822434 . . . . . . . 100 GLY N . 52243 1 405 . 1 . 1 101 101 GLY H H 1 7.01503568 0.004229336443 . . . . . . . 101 GLY H . 52243 1 406 . 1 . 1 101 101 GLY C C 13 173.1933871 0 . . . . . . . 101 GLY C . 52243 1 407 . 1 . 1 101 101 GLY CA C 13 44.81748277 0 . . . . . . . 101 GLY CA . 52243 1 408 . 1 . 1 101 101 GLY N N 15 106.8310311 0.03306550194 . . . . . . . 101 GLY N . 52243 1 409 . 1 . 1 102 102 THR H H 1 7.920848104 0.002791254172 . . . . . . . 102 THR H . 52243 1 410 . 1 . 1 102 102 THR C C 13 173.7501579 0 . . . . . . . 102 THR C . 52243 1 411 . 1 . 1 102 102 THR CA C 13 61.35173791 0 . . . . . . . 102 THR CA . 52243 1 412 . 1 . 1 102 102 THR CB C 13 72.54495277 0 . . . . . . . 102 THR CB . 52243 1 413 . 1 . 1 102 102 THR N N 15 116.9722528 0.01731810889 . . . . . . . 102 THR N . 52243 1 414 . 1 . 1 103 103 LYS H H 1 8.263856159 0.002846670068 . . . . . . . 103 LYS H . 52243 1 415 . 1 . 1 103 103 LYS C C 13 174.6612049 0 . . . . . . . 103 LYS C . 52243 1 416 . 1 . 1 103 103 LYS CA C 13 56.33099382 0 . . . . . . . 103 LYS CA . 52243 1 417 . 1 . 1 103 103 LYS CB C 13 32.83082976 0 . . . . . . . 103 LYS CB . 52243 1 418 . 1 . 1 103 103 LYS N N 15 130.8430047 0.0263333905 . . . . . . . 103 LYS N . 52243 1 419 . 1 . 1 104 104 VAL H H 1 8.637338015 0.003962074061 . . . . . . . 104 VAL H . 52243 1 420 . 1 . 1 104 104 VAL C C 13 174.7543728 0 . . . . . . . 104 VAL C . 52243 1 421 . 1 . 1 104 104 VAL CA C 13 61.76312755 0 . . . . . . . 104 VAL CA . 52243 1 422 . 1 . 1 104 104 VAL CB C 13 31.90276161 0 . . . . . . . 104 VAL CB . 52243 1 423 . 1 . 1 104 104 VAL N N 15 129.184771 0.01435262027 . . . . . . . 104 VAL N . 52243 1 424 . 1 . 1 105 105 GLU H H 1 9.077820285 0.004138307124 . . . . . . . 105 GLU H . 52243 1 425 . 1 . 1 105 105 GLU C C 13 174.0010058 0 . . . . . . . 105 GLU C . 52243 1 426 . 1 . 1 105 105 GLU CA C 13 54.28816643 0 . . . . . . . 105 GLU CA . 52243 1 427 . 1 . 1 105 105 GLU CB C 13 31.9314948 0 . . . . . . . 105 GLU CB . 52243 1 428 . 1 . 1 105 105 GLU N N 15 128.8300714 0.02882328974 . . . . . . . 105 GLU N . 52243 1 429 . 1 . 1 106 106 ILE H H 1 8.662196521 0.004262370652 . . . . . . . 106 ILE H . 52243 1 430 . 1 . 1 106 106 ILE C C 13 176.4432771 0 . . . . . . . 106 ILE C . 52243 1 431 . 1 . 1 106 106 ILE CA C 13 60.7882373 0 . . . . . . . 106 ILE CA . 52243 1 432 . 1 . 1 106 106 ILE CB C 13 37.4602289 0 . . . . . . . 106 ILE CB . 52243 1 433 . 1 . 1 106 106 ILE N N 15 123.1933239 0.0325647722 . . . . . . . 106 ILE N . 52243 1 434 . 1 . 1 107 107 LYS H H 1 7.977961019 0.00463325125 . . . . . . . 107 LYS H . 52243 1 435 . 1 . 1 107 107 LYS C C 13 174.467304 0 . . . . . . . 107 LYS C . 52243 1 436 . 1 . 1 107 107 LYS CA C 13 55.2626347 0 . . . . . . . 107 LYS CA . 52243 1 437 . 1 . 1 107 107 LYS CB C 13 32.5035193 0 . . . . . . . 107 LYS CB . 52243 1 438 . 1 . 1 107 107 LYS N N 15 128.4694084 0.01812494085 . . . . . . . 107 LYS N . 52243 1 439 . 1 . 1 108 108 ARG C C 13 174.0327502 0 . . . . . . . 108 ARG C . 52243 1 440 . 1 . 1 108 108 ARG CA C 13 54.33152722 0 . . . . . . . 108 ARG CA . 52243 1 441 . 1 . 1 108 108 ARG CB C 13 28.97936245 0 . . . . . . . 108 ARG CB . 52243 1 442 . 1 . 1 109 109 THR H H 1 7.580316508 0.003628445486 . . . . . . . 109 THR H . 52243 1 443 . 1 . 1 109 109 THR C C 13 175.5935376 0 . . . . . . . 109 THR C . 52243 1 444 . 1 . 1 109 109 THR CA C 13 61.42905001 0 . . . . . . . 109 THR CA . 52243 1 445 . 1 . 1 109 109 THR CB C 13 69.87860104 0 . . . . . . . 109 THR CB . 52243 1 446 . 1 . 1 109 109 THR N N 15 109.2932567 0.02927462415 . . . . . . . 109 THR N . 52243 1 447 . 1 . 1 110 110 VAL H H 1 8.327333513 0.001797112825 . . . . . . . 110 VAL H . 52243 1 448 . 1 . 1 110 110 VAL C C 13 175.3944865 0 . . . . . . . 110 VAL C . 52243 1 449 . 1 . 1 110 110 VAL CA C 13 63.74499347 0 . . . . . . . 110 VAL CA . 52243 1 450 . 1 . 1 110 110 VAL CB C 13 31.14842289 0 . . . . . . . 110 VAL CB . 52243 1 451 . 1 . 1 110 110 VAL N N 15 122.9183133 0.03113542632 . . . . . . . 110 VAL N . 52243 1 452 . 1 . 1 111 111 ALA H H 1 9.574085766 0.00335860788 . . . . . . . 111 ALA H . 52243 1 453 . 1 . 1 111 111 ALA C C 13 175.7037627 0 . . . . . . . 111 ALA C . 52243 1 454 . 1 . 1 111 111 ALA CA C 13 50.75640755 0 . . . . . . . 111 ALA CA . 52243 1 455 . 1 . 1 111 111 ALA CB C 13 20.03322911 0 . . . . . . . 111 ALA CB . 52243 1 456 . 1 . 1 111 111 ALA N N 15 131.6774812 0.01316851757 . . . . . . . 111 ALA N . 52243 1 457 . 1 . 1 112 112 ALA H H 1 8.720324993 0.00136863622 . . . . . . . 112 ALA H . 52243 1 458 . 1 . 1 112 112 ALA C C 13 174.7678851 0 . . . . . . . 112 ALA C . 52243 1 459 . 1 . 1 112 112 ALA CA C 13 49.504871 0 . . . . . . . 112 ALA CA . 52243 1 460 . 1 . 1 112 112 ALA CB C 13 16.81478833 0 . . . . . . . 112 ALA CB . 52243 1 461 . 1 . 1 112 112 ALA N N 15 125.8356111 0.01927687999 . . . . . . . 112 ALA N . 52243 1 462 . 1 . 1 113 113 PRO C C 13 174.5018347 0 . . . . . . . 113 PRO C . 52243 1 463 . 1 . 1 113 113 PRO CA C 13 62.73238709 0 . . . . . . . 113 PRO CA . 52243 1 464 . 1 . 1 113 113 PRO CB C 13 31.23066721 0 . . . . . . . 113 PRO CB . 52243 1 465 . 1 . 1 114 114 SER H H 1 8.257559069 0.009610541449 . . . . . . . 114 SER H . 52243 1 466 . 1 . 1 114 114 SER C C 13 173.4784184 0 . . . . . . . 114 SER C . 52243 1 467 . 1 . 1 114 114 SER CA C 13 57.83482357 0 . . . . . . . 114 SER CA . 52243 1 468 . 1 . 1 114 114 SER CB C 13 63.4201508 0 . . . . . . . 114 SER CB . 52243 1 469 . 1 . 1 114 114 SER N N 15 116.237692 0.06235917952 . . . . . . . 114 SER N . 52243 1 470 . 1 . 1 115 115 VAL H H 1 8.050097849 0.001671392383 . . . . . . . 115 VAL H . 52243 1 471 . 1 . 1 115 115 VAL C C 13 174.1963582 0 . . . . . . . 115 VAL C . 52243 1 472 . 1 . 1 115 115 VAL CA C 13 60.70475058 0 . . . . . . . 115 VAL CA . 52243 1 473 . 1 . 1 115 115 VAL CB C 13 32.40132288 0 . . . . . . . 115 VAL CB . 52243 1 474 . 1 . 1 115 115 VAL N N 15 125.5704934 0.02012320834 . . . . . . . 115 VAL N . 52243 1 475 . 1 . 1 116 116 PHE H H 1 9.016075328 0.001310463355 . . . . . . . 116 PHE H . 52243 1 476 . 1 . 1 116 116 PHE C C 13 172.6870144 0 . . . . . . . 116 PHE C . 52243 1 477 . 1 . 1 116 116 PHE CA C 13 55.26860221 0 . . . . . . . 116 PHE CA . 52243 1 478 . 1 . 1 116 116 PHE CB C 13 42.42857988 0 . . . . . . . 116 PHE CB . 52243 1 479 . 1 . 1 116 116 PHE N N 15 125.1546775 0.04025054476 . . . . . . . 116 PHE N . 52243 1 480 . 1 . 1 117 117 ILE H H 1 8.109915019 0.00162722767 . . . . . . . 117 ILE H . 52243 1 481 . 1 . 1 117 117 ILE C C 13 172.4321051 0 . . . . . . . 117 ILE C . 52243 1 482 . 1 . 1 117 117 ILE CA C 13 58.48308644 0 . . . . . . . 117 ILE CA . 52243 1 483 . 1 . 1 117 117 ILE CB C 13 42.10152029 0 . . . . . . . 117 ILE CB . 52243 1 484 . 1 . 1 117 117 ILE N N 15 120.2332342 0.01268465986 . . . . . . . 117 ILE N . 52243 1 485 . 1 . 1 118 118 PHE H H 1 9.134637927 0.005840335281 . . . . . . . 118 PHE H . 52243 1 486 . 1 . 1 118 118 PHE C C 13 173.0364763 0 . . . . . . . 118 PHE C . 52243 1 487 . 1 . 1 118 118 PHE CA C 13 53.86910305 0 . . . . . . . 118 PHE CA . 52243 1 488 . 1 . 1 118 118 PHE CB C 13 41.09373648 0 . . . . . . . 118 PHE CB . 52243 1 489 . 1 . 1 118 118 PHE N N 15 124.4993548 0.04694785099 . . . . . . . 118 PHE N . 52243 1 490 . 1 . 1 120 120 PRO C C 13 176.6036198 0 . . . . . . . 120 PRO C . 52243 1 491 . 1 . 1 120 120 PRO CA C 13 61.84765808 0 . . . . . . . 120 PRO CA . 52243 1 492 . 1 . 1 120 120 PRO CB C 13 30.44181437 0 . . . . . . . 120 PRO CB . 52243 1 493 . 1 . 1 121 121 SER H H 1 9.427022124 0.00255926498 . . . . . . . 121 SER H . 52243 1 494 . 1 . 1 121 121 SER C C 13 175.054651 0 . . . . . . . 121 SER C . 52243 1 495 . 1 . 1 121 121 SER CA C 13 57.19943141 0 . . . . . . . 121 SER CA . 52243 1 496 . 1 . 1 121 121 SER CB C 13 65.29768113 0 . . . . . . . 121 SER CB . 52243 1 497 . 1 . 1 121 121 SER N N 15 119.3546743 0.01032223951 . . . . . . . 121 SER N . 52243 1 498 . 1 . 1 122 122 ASP H H 1 8.849918533 0.002611181939 . . . . . . . 122 ASP H . 52243 1 499 . 1 . 1 122 122 ASP C C 13 179.2396221 0 . . . . . . . 122 ASP C . 52243 1 500 . 1 . 1 122 122 ASP CA C 13 57.24547921 0 . . . . . . . 122 ASP CA . 52243 1 501 . 1 . 1 122 122 ASP CB C 13 39.73399206 0 . . . . . . . 122 ASP CB . 52243 1 502 . 1 . 1 122 122 ASP N N 15 124.0426493 0.0252331727 . . . . . . . 122 ASP N . 52243 1 503 . 1 . 1 123 123 GLU H H 1 8.935925429 0.00391707121 . . . . . . . 123 GLU H . 52243 1 504 . 1 . 1 123 123 GLU C C 13 178.785369 0 . . . . . . . 123 GLU C . 52243 1 505 . 1 . 1 123 123 GLU CA C 13 59.37886488 0 . . . . . . . 123 GLU CA . 52243 1 506 . 1 . 1 123 123 GLU CB C 13 28.91622927 0 . . . . . . . 123 GLU CB . 52243 1 507 . 1 . 1 123 123 GLU N N 15 119.0037375 0.01344567565 . . . . . . . 123 GLU N . 52243 1 508 . 1 . 1 124 124 GLN H H 1 7.655075402 0.001522083715 . . . . . . . 124 GLN H . 52243 1 509 . 1 . 1 124 124 GLN C C 13 179.7548309 0 . . . . . . . 124 GLN C . 52243 1 510 . 1 . 1 124 124 GLN CA C 13 58.57244264 0 . . . . . . . 124 GLN CA . 52243 1 511 . 1 . 1 124 124 GLN CB C 13 25.43331209 0 . . . . . . . 124 GLN CB . 52243 1 512 . 1 . 1 124 124 GLN N N 15 121.4257929 0.01873183272 . . . . . . . 124 GLN N . 52243 1 513 . 1 . 1 125 125 LEU H H 1 7.800234565 0.004313653481 . . . . . . . 125 LEU H . 52243 1 514 . 1 . 1 125 125 LEU C C 13 180.1505765 0 . . . . . . . 125 LEU C . 52243 1 515 . 1 . 1 125 125 LEU CA C 13 57.78972593 0 . . . . . . . 125 LEU CA . 52243 1 516 . 1 . 1 125 125 LEU CB C 13 40.55683885 0 . . . . . . . 125 LEU CB . 52243 1 517 . 1 . 1 125 125 LEU N N 15 121.7637987 0.03869104989 . . . . . . . 125 LEU N . 52243 1 518 . 1 . 1 126 126 LYS H H 1 7.611295528 0.008409932354 . . . . . . . 126 LYS H . 52243 1 519 . 1 . 1 126 126 LYS C C 13 177.9149374 0 . . . . . . . 126 LYS C . 52243 1 520 . 1 . 1 126 126 LYS CA C 13 58.50919318 0 . . . . . . . 126 LYS CA . 52243 1 521 . 1 . 1 126 126 LYS CB C 13 31.43955275 0 . . . . . . . 126 LYS CB . 52243 1 522 . 1 . 1 126 126 LYS N N 15 118.1889957 0.02483653273 . . . . . . . 126 LYS N . 52243 1 523 . 1 . 1 127 127 SER H H 1 7.916124848 0.00312672314 . . . . . . . 127 SER H . 52243 1 524 . 1 . 1 127 127 SER C C 13 175.4343162 0 . . . . . . . 127 SER C . 52243 1 525 . 1 . 1 127 127 SER CA C 13 58.91810477 0 . . . . . . . 127 SER CA . 52243 1 526 . 1 . 1 127 127 SER CB C 13 64.38164503 0 . . . . . . . 127 SER CB . 52243 1 527 . 1 . 1 127 127 SER N N 15 114.430354 0.02526154639 . . . . . . . 127 SER N . 52243 1 528 . 1 . 1 128 128 GLY H H 1 7.903938924 0.002785334943 . . . . . . . 128 GLY H . 52243 1 529 . 1 . 1 128 128 GLY C C 13 174.441276 0 . . . . . . . 128 GLY C . 52243 1 530 . 1 . 1 128 128 GLY CA C 13 45.64123929 0 . . . . . . . 128 GLY CA . 52243 1 531 . 1 . 1 128 128 GLY N N 15 108.3681163 0.03485426206 . . . . . . . 128 GLY N . 52243 1 532 . 1 . 1 129 129 THR H H 1 7.449201947 0.003594638996 . . . . . . . 129 THR H . 52243 1 533 . 1 . 1 129 129 THR C C 13 169.6818031 0 . . . . . . . 129 THR C . 52243 1 534 . 1 . 1 129 129 THR CA C 13 60.98843751 0 . . . . . . . 129 THR CA . 52243 1 535 . 1 . 1 129 129 THR CB C 13 72.06265778 0 . . . . . . . 129 THR CB . 52243 1 536 . 1 . 1 129 129 THR N N 15 116.8747948 0.008051060917 . . . . . . . 129 THR N . 52243 1 537 . 1 . 1 130 130 ALA H H 1 8.595585038 0.00272997957 . . . . . . . 130 ALA H . 52243 1 538 . 1 . 1 130 130 ALA C C 13 174.5038962 0 . . . . . . . 130 ALA C . 52243 1 539 . 1 . 1 130 130 ALA CA C 13 50.23872323 0 . . . . . . . 130 ALA CA . 52243 1 540 . 1 . 1 130 130 ALA CB C 13 21.33483418 0 . . . . . . . 130 ALA CB . 52243 1 541 . 1 . 1 130 130 ALA N N 15 122.0371726 0.01641846861 . . . . . . . 130 ALA N . 52243 1 542 . 1 . 1 131 131 SER H H 1 7.469019015 0.004821285774 . . . . . . . 131 SER H . 52243 1 543 . 1 . 1 131 131 SER C C 13 172.169614 0 . . . . . . . 131 SER C . 52243 1 544 . 1 . 1 131 131 SER CA C 13 57.2764981 0 . . . . . . . 131 SER CA . 52243 1 545 . 1 . 1 131 131 SER CB C 13 61.997894 0 . . . . . . . 131 SER CB . 52243 1 546 . 1 . 1 131 131 SER N N 15 117.2556826 0.03607106359 . . . . . . . 131 SER N . 52243 1 547 . 1 . 1 132 132 VAL H H 1 9.103660026 0.001307820282 . . . . . . . 132 VAL H . 52243 1 548 . 1 . 1 132 132 VAL C C 13 174.8471355 0 . . . . . . . 132 VAL C . 52243 1 549 . 1 . 1 132 132 VAL CA C 13 60.1773412 0 . . . . . . . 132 VAL CA . 52243 1 550 . 1 . 1 132 132 VAL CB C 13 31.33240257 0 . . . . . . . 132 VAL CB . 52243 1 551 . 1 . 1 132 132 VAL N N 15 127.2124403 0.01865312262 . . . . . . . 132 VAL N . 52243 1 552 . 1 . 1 133 133 VAL H H 1 7.953150706 0.004411950267 . . . . . . . 133 VAL H . 52243 1 553 . 1 . 1 133 133 VAL C C 13 174.2387497 0 . . . . . . . 133 VAL C . 52243 1 554 . 1 . 1 133 133 VAL CA C 13 61.27925409 0 . . . . . . . 133 VAL CA . 52243 1 555 . 1 . 1 133 133 VAL CB C 13 34.53341926 0 . . . . . . . 133 VAL CB . 52243 1 556 . 1 . 1 133 133 VAL N N 15 125.6952515 0.02334173942 . . . . . . . 133 VAL N . 52243 1 557 . 1 . 1 134 134 CYS H H 1 9.724759442 0.001292554971 . . . . . . . 134 CYS H . 52243 1 558 . 1 . 1 134 134 CYS C C 13 171.8581378 0 . . . . . . . 134 CYS C . 52243 1 559 . 1 . 1 134 134 CYS CA C 13 53.94981449 0 . . . . . . . 134 CYS CA . 52243 1 560 . 1 . 1 134 134 CYS CB C 13 43.85510622 0 . . . . . . . 134 CYS CB . 52243 1 561 . 1 . 1 134 134 CYS N N 15 128.0929081 0.01186594651 . . . . . . . 134 CYS N . 52243 1 562 . 1 . 1 135 135 LEU H H 1 9.416471512 0.001843639518 . . . . . . . 135 LEU H . 52243 1 563 . 1 . 1 135 135 LEU C C 13 173.041712 0 . . . . . . . 135 LEU C . 52243 1 564 . 1 . 1 135 135 LEU CA C 13 52.87870741 0 . . . . . . . 135 LEU CA . 52243 1 565 . 1 . 1 135 135 LEU CB C 13 45.83015115 0 . . . . . . . 135 LEU CB . 52243 1 566 . 1 . 1 135 135 LEU N N 15 128.6611588 0.006734133607 . . . . . . . 135 LEU N . 52243 1 567 . 1 . 1 136 136 LEU H H 1 9.54264776 0.001384013701 . . . . . . . 136 LEU H . 52243 1 568 . 1 . 1 136 136 LEU C C 13 175.0870663 0 . . . . . . . 136 LEU C . 52243 1 569 . 1 . 1 136 136 LEU CA C 13 53.91267858 0 . . . . . . . 136 LEU CA . 52243 1 570 . 1 . 1 136 136 LEU CB C 13 43.07412691 0 . . . . . . . 136 LEU CB . 52243 1 571 . 1 . 1 136 136 LEU N N 15 128.225114 0.01304423389 . . . . . . . 136 LEU N . 52243 1 572 . 1 . 1 137 137 ASN H H 1 9.423284406 0.001883254627 . . . . . . . 137 ASN H . 52243 1 573 . 1 . 1 137 137 ASN C C 13 175.1536411 0 . . . . . . . 137 ASN C . 52243 1 574 . 1 . 1 137 137 ASN CA C 13 51.83954067 0 . . . . . . . 137 ASN CA . 52243 1 575 . 1 . 1 137 137 ASN CB C 13 41.73273896 0 . . . . . . . 137 ASN CB . 52243 1 576 . 1 . 1 137 137 ASN N N 15 122.9370578 0.01518216157 . . . . . . . 137 ASN N . 52243 1 577 . 1 . 1 138 138 ASN H H 1 8.294894989 0.001623373188 . . . . . . . 138 ASN H . 52243 1 578 . 1 . 1 138 138 ASN C C 13 172.0443211 0 . . . . . . . 138 ASN C . 52243 1 579 . 1 . 1 138 138 ASN CA C 13 53.79256232 0 . . . . . . . 138 ASN CA . 52243 1 580 . 1 . 1 138 138 ASN CB C 13 36.66792638 0 . . . . . . . 138 ASN CB . 52243 1 581 . 1 . 1 138 138 ASN N N 15 123.0513479 0.01870644694 . . . . . . . 138 ASN N . 52243 1 582 . 1 . 1 139 139 PHE H H 1 9.240155525 0.001239482256 . . . . . . . 139 PHE H . 52243 1 583 . 1 . 1 139 139 PHE C C 13 174.1068909 0 . . . . . . . 139 PHE C . 52243 1 584 . 1 . 1 139 139 PHE CA C 13 54.32352103 0 . . . . . . . 139 PHE CA . 52243 1 585 . 1 . 1 139 139 PHE CB C 13 42.6769824 0 . . . . . . . 139 PHE CB . 52243 1 586 . 1 . 1 139 139 PHE N N 15 117.0603743 0.01062617929 . . . . . . . 139 PHE N . 52243 1 587 . 1 . 1 140 140 TYR H H 1 9.357409217 0.001664225521 . . . . . . . 140 TYR H . 52243 1 588 . 1 . 1 140 140 TYR C C 13 174.6939698 0 . . . . . . . 140 TYR C . 52243 1 589 . 1 . 1 140 140 TYR CA C 13 58.84990629 0 . . . . . . . 140 TYR CA . 52243 1 590 . 1 . 1 140 140 TYR CB C 13 41.51814824 0 . . . . . . . 140 TYR CB . 52243 1 591 . 1 . 1 140 140 TYR N N 15 120.3950909 0.02275416201 . . . . . . . 140 TYR N . 52243 1 592 . 1 . 1 141 141 PRO C C 13 175.3575695 0 . . . . . . . 141 PRO C . 52243 1 593 . 1 . 1 141 141 PRO CA C 13 61.64939041 0 . . . . . . . 141 PRO CA . 52243 1 594 . 1 . 1 141 141 PRO CB C 13 34.41041325 0 . . . . . . . 141 PRO CB . 52243 1 595 . 1 . 1 142 142 ARG H H 1 8.361409072 0.005951541549 . . . . . . . 142 ARG H . 52243 1 596 . 1 . 1 142 142 ARG C C 13 175.8120826 0 . . . . . . . 142 ARG C . 52243 1 597 . 1 . 1 142 142 ARG CA C 13 57.81161227 0 . . . . . . . 142 ARG CA . 52243 1 598 . 1 . 1 142 142 ARG CB C 13 29.06127599 0 . . . . . . . 142 ARG CB . 52243 1 599 . 1 . 1 142 142 ARG N N 15 118.0510235 0.0383707569 . . . . . . . 142 ARG N . 52243 1 600 . 1 . 1 143 143 GLU H H 1 7.390113186 0.003013092553 . . . . . . . 143 GLU H . 52243 1 601 . 1 . 1 143 143 GLU C C 13 174.8411418 0 . . . . . . . 143 GLU C . 52243 1 602 . 1 . 1 143 143 GLU CA C 13 57.7723682 0 . . . . . . . 143 GLU CA . 52243 1 603 . 1 . 1 143 143 GLU CB C 13 27.77129692 0 . . . . . . . 143 GLU CB . 52243 1 604 . 1 . 1 143 143 GLU N N 15 117.1176405 0.03076291797 . . . . . . . 143 GLU N . 52243 1 605 . 1 . 1 144 144 ALA H H 1 7.616759355 0.002645148638 . . . . . . . 144 ALA H . 52243 1 606 . 1 . 1 144 144 ALA C C 13 175.4477726 0 . . . . . . . 144 ALA C . 52243 1 607 . 1 . 1 144 144 ALA CA C 13 50.9095056 0 . . . . . . . 144 ALA CA . 52243 1 608 . 1 . 1 144 144 ALA CB C 13 20.60695873 0 . . . . . . . 144 ALA CB . 52243 1 609 . 1 . 1 144 144 ALA N N 15 125.9218111 0.02100650548 . . . . . . . 144 ALA N . 52243 1 610 . 1 . 1 145 145 LYS H H 1 8.198779316 0.003234140231 . . . . . . . 145 LYS H . 52243 1 611 . 1 . 1 145 145 LYS C C 13 174.3378698 0 . . . . . . . 145 LYS C . 52243 1 612 . 1 . 1 145 145 LYS CA C 13 54.70108936 0 . . . . . . . 145 LYS CA . 52243 1 613 . 1 . 1 145 145 LYS CB C 13 33.74535862 0 . . . . . . . 145 LYS CB . 52243 1 614 . 1 . 1 145 145 LYS N N 15 122.0835594 0.03408195581 . . . . . . . 145 LYS N . 52243 1 615 . 1 . 1 146 146 VAL H H 1 8.663087894 0.002486562479 . . . . . . . 146 VAL H . 52243 1 616 . 1 . 1 146 146 VAL C C 13 175.4332556 0 . . . . . . . 146 VAL C . 52243 1 617 . 1 . 1 146 146 VAL CA C 13 60.56836299 0 . . . . . . . 146 VAL CA . 52243 1 618 . 1 . 1 146 146 VAL CB C 13 32.53031358 0 . . . . . . . 146 VAL CB . 52243 1 619 . 1 . 1 146 146 VAL N N 15 126.2392567 0.03466442146 . . . . . . . 146 VAL N . 52243 1 620 . 1 . 1 147 147 GLN H H 1 8.906481703 0.001576562437 . . . . . . . 147 GLN H . 52243 1 621 . 1 . 1 147 147 GLN C C 13 173.9039405 0 . . . . . . . 147 GLN C . 52243 1 622 . 1 . 1 147 147 GLN CA C 13 53.61364024 0 . . . . . . . 147 GLN CA . 52243 1 623 . 1 . 1 147 147 GLN CB C 13 31.76603541 0 . . . . . . . 147 GLN CB . 52243 1 624 . 1 . 1 147 147 GLN N N 15 126.3308735 0.03945682072 . . . . . . . 147 GLN N . 52243 1 625 . 1 . 1 148 148 TRP H H 1 9.062873164 0.001111882356 . . . . . . . 148 TRP H . 52243 1 626 . 1 . 1 148 148 TRP C C 13 176.3089792 0 . . . . . . . 148 TRP C . 52243 1 627 . 1 . 1 148 148 TRP CA C 13 56.35366733 0 . . . . . . . 148 TRP CA . 52243 1 628 . 1 . 1 148 148 TRP CB C 13 31.01189575 0 . . . . . . . 148 TRP CB . 52243 1 629 . 1 . 1 148 148 TRP N N 15 124.3539336 0.0260908432 . . . . . . . 148 TRP N . 52243 1 630 . 1 . 1 149 149 LYS H H 1 9.329594085 0.003600328028 . . . . . . . 149 LYS H . 52243 1 631 . 1 . 1 149 149 LYS C C 13 175.1946552 0 . . . . . . . 149 LYS C . 52243 1 632 . 1 . 1 149 149 LYS CA C 13 54.38859094 0 . . . . . . . 149 LYS CA . 52243 1 633 . 1 . 1 149 149 LYS CB C 13 35.67117385 0 . . . . . . . 149 LYS CB . 52243 1 634 . 1 . 1 149 149 LYS N N 15 122.1209531 0.04244158037 . . . . . . . 149 LYS N . 52243 1 635 . 1 . 1 150 150 VAL H H 1 8.140460435 0.001054640704 . . . . . . . 150 VAL H . 52243 1 636 . 1 . 1 150 150 VAL C C 13 176.6667108 0 . . . . . . . 150 VAL C . 52243 1 637 . 1 . 1 150 150 VAL CA C 13 59.77444726 0 . . . . . . . 150 VAL CA . 52243 1 638 . 1 . 1 150 150 VAL CB C 13 32.97169915 0 . . . . . . . 150 VAL CB . 52243 1 639 . 1 . 1 150 150 VAL N N 15 123.251438 0.04819109543 . . . . . . . 150 VAL N . 52243 1 640 . 1 . 1 151 151 ASP H H 1 9.847840004 0.001549596208 . . . . . . . 151 ASP H . 52243 1 641 . 1 . 1 151 151 ASP C C 13 175.4328241 0 . . . . . . . 151 ASP C . 52243 1 642 . 1 . 1 151 151 ASP CA C 13 56.22974668 0 . . . . . . . 151 ASP CA . 52243 1 643 . 1 . 1 151 151 ASP CB C 13 39.05153353 0 . . . . . . . 151 ASP CB . 52243 1 644 . 1 . 1 151 151 ASP N N 15 131.5507918 0.01041287111 . . . . . . . 151 ASP N . 52243 1 645 . 1 . 1 152 152 ASN H H 1 9.024103207 0.001902568277 . . . . . . . 152 ASN H . 52243 1 646 . 1 . 1 152 152 ASN C C 13 173.3066652 0 . . . . . . . 152 ASN C . 52243 1 647 . 1 . 1 152 152 ASN CA C 13 54.65968618 0 . . . . . . . 152 ASN CA . 52243 1 648 . 1 . 1 152 152 ASN CB C 13 37.94266136 0 . . . . . . . 152 ASN CB . 52243 1 649 . 1 . 1 152 152 ASN N N 15 109.4758611 0.01746804163 . . . . . . . 152 ASN N . 52243 1 650 . 1 . 1 153 153 ALA H H 1 7.867182376 0.002499183073 . . . . . . . 153 ALA H . 52243 1 651 . 1 . 1 153 153 ALA C C 13 178.1122164 0 . . . . . . . 153 ALA C . 52243 1 652 . 1 . 1 153 153 ALA CA C 13 50.61712798 0 . . . . . . . 153 ALA CA . 52243 1 653 . 1 . 1 153 153 ALA CB C 13 18.70591766 0 . . . . . . . 153 ALA CB . 52243 1 654 . 1 . 1 153 153 ALA N N 15 123.7723066 0.03025789632 . . . . . . . 153 ALA N . 52243 1 655 . 1 . 1 154 154 LEU H H 1 8.758613926 0.002106217185 . . . . . . . 154 LEU H . 52243 1 656 . 1 . 1 154 154 LEU C C 13 177.1123164 0 . . . . . . . 154 LEU C . 52243 1 657 . 1 . 1 154 154 LEU CA C 13 55.74224773 0 . . . . . . . 154 LEU CA . 52243 1 658 . 1 . 1 154 154 LEU CB C 13 41.21825819 0 . . . . . . . 154 LEU CB . 52243 1 659 . 1 . 1 154 154 LEU N N 15 128.5875493 0.01855822589 . . . . . . . 154 LEU N . 52243 1 660 . 1 . 1 155 155 GLN H H 1 8.45992356 0.0009664840419 . . . . . . . 155 GLN H . 52243 1 661 . 1 . 1 155 155 GLN C C 13 175.7106495 0 . . . . . . . 155 GLN C . 52243 1 662 . 1 . 1 155 155 GLN CA C 13 53.3170349 0 . . . . . . . 155 GLN CA . 52243 1 663 . 1 . 1 155 155 GLN CB C 13 29.83989726 0 . . . . . . . 155 GLN CB . 52243 1 664 . 1 . 1 155 155 GLN N N 15 124.8324303 0.03190171896 . . . . . . . 155 GLN N . 52243 1 665 . 1 . 1 156 156 SER H H 1 8.475626192 0.0015479198 . . . . . . . 156 SER H . 52243 1 666 . 1 . 1 156 156 SER C C 13 174.6980866 0 . . . . . . . 156 SER C . 52243 1 667 . 1 . 1 156 156 SER CA C 13 57.6107197 0 . . . . . . . 156 SER CA . 52243 1 668 . 1 . 1 156 156 SER CB C 13 64.13786297 0 . . . . . . . 156 SER CB . 52243 1 669 . 1 . 1 156 156 SER N N 15 117.7944178 0.0287581582 . . . . . . . 156 SER N . 52243 1 670 . 1 . 1 157 157 GLY H H 1 8.628178632 0.002185198642 . . . . . . . 157 GLY H . 52243 1 671 . 1 . 1 157 157 GLY C C 13 174.3876179 0 . . . . . . . 157 GLY C . 52243 1 672 . 1 . 1 157 157 GLY CA C 13 45.80315495 0 . . . . . . . 157 GLY CA . 52243 1 673 . 1 . 1 157 157 GLY N N 15 112.67517 0.01101416887 . . . . . . . 157 GLY N . 52243 1 674 . 1 . 1 158 158 ASN H H 1 8.112123901 0.00174468552 . . . . . . . 158 ASN H . 52243 1 675 . 1 . 1 158 158 ASN C C 13 173.2858235 0 . . . . . . . 158 ASN C . 52243 1 676 . 1 . 1 158 158 ASN CA C 13 52.08811797 0 . . . . . . . 158 ASN CA . 52243 1 677 . 1 . 1 158 158 ASN CB C 13 36.78721228 0 . . . . . . . 158 ASN CB . 52243 1 678 . 1 . 1 158 158 ASN N N 15 115.7653112 0.01918530546 . . . . . . . 158 ASN N . 52243 1 679 . 1 . 1 159 159 SER H H 1 7.694746758 0.001601613497 . . . . . . . 159 SER H . 52243 1 680 . 1 . 1 159 159 SER C C 13 174.1150892 0 . . . . . . . 159 SER C . 52243 1 681 . 1 . 1 159 159 SER CA C 13 56.07292073 0 . . . . . . . 159 SER CA . 52243 1 682 . 1 . 1 159 159 SER CB C 13 66.6080948 0 . . . . . . . 159 SER CB . 52243 1 683 . 1 . 1 159 159 SER N N 15 111.069544 0.04868336853 . . . . . . . 159 SER N . 52243 1 684 . 1 . 1 160 160 GLN H H 1 8.043784405 0.001687682074 . . . . . . . 160 GLN H . 52243 1 685 . 1 . 1 160 160 GLN C C 13 175.1757072 0 . . . . . . . 160 GLN C . 52243 1 686 . 1 . 1 160 160 GLN CA C 13 54.89020287 0 . . . . . . . 160 GLN CA . 52243 1 687 . 1 . 1 160 160 GLN CB C 13 33.11088226 0 . . . . . . . 160 GLN CB . 52243 1 688 . 1 . 1 160 160 GLN N N 15 117.5333835 0.03983031749 . . . . . . . 160 GLN N . 52243 1 689 . 1 . 1 161 161 GLU H H 1 8.926667507 0.001261796335 . . . . . . . 161 GLU H . 52243 1 690 . 1 . 1 161 161 GLU C C 13 175.0715105 0 . . . . . . . 161 GLU C . 52243 1 691 . 1 . 1 161 161 GLU CA C 13 54.95797162 0 . . . . . . . 161 GLU CA . 52243 1 692 . 1 . 1 161 161 GLU CB C 13 32.72002313 0 . . . . . . . 161 GLU CB . 52243 1 693 . 1 . 1 161 161 GLU N N 15 124.7518815 0.02763533535 . . . . . . . 161 GLU N . 52243 1 694 . 1 . 1 162 162 SER H H 1 8.622216997 0.00161623003 . . . . . . . 162 SER H . 52243 1 695 . 1 . 1 162 162 SER C C 13 172.4985025 0 . . . . . . . 162 SER C . 52243 1 696 . 1 . 1 162 162 SER CA C 13 56.44506895 0 . . . . . . . 162 SER CA . 52243 1 697 . 1 . 1 162 162 SER CB C 13 64.67653615 0 . . . . . . . 162 SER CB . 52243 1 698 . 1 . 1 162 162 SER N N 15 115.3111197 0.02818494309 . . . . . . . 162 SER N . 52243 1 699 . 1 . 1 163 163 VAL H H 1 8.367987032 0.001439356356 . . . . . . . 163 VAL H . 52243 1 700 . 1 . 1 163 163 VAL C C 13 175.8668138 0 . . . . . . . 163 VAL C . 52243 1 701 . 1 . 1 163 163 VAL CA C 13 59.87278728 0 . . . . . . . 163 VAL CA . 52243 1 702 . 1 . 1 163 163 VAL CB C 13 34.81369223 0 . . . . . . . 163 VAL CB . 52243 1 703 . 1 . 1 163 163 VAL N N 15 125.8465974 0.02519587868 . . . . . . . 163 VAL N . 52243 1 704 . 1 . 1 164 164 THR H H 1 8.580781675 0.001357463074 . . . . . . . 164 THR H . 52243 1 705 . 1 . 1 164 164 THR C C 13 176.1050292 0 . . . . . . . 164 THR C . 52243 1 706 . 1 . 1 164 164 THR CA C 13 61.66165438 0 . . . . . . . 164 THR CA . 52243 1 707 . 1 . 1 164 164 THR CB C 13 70.16907801 0 . . . . . . . 164 THR CB . 52243 1 708 . 1 . 1 164 164 THR N N 15 115.987018 0.01735279926 . . . . . . . 164 THR N . 52243 1 709 . 1 . 1 165 165 GLU H H 1 8.121959612 0.002341492545 . . . . . . . 165 GLU H . 52243 1 710 . 1 . 1 165 165 GLU C C 13 176.6494515 0 . . . . . . . 165 GLU C . 52243 1 711 . 1 . 1 165 165 GLU CA C 13 55.65552578 0 . . . . . . . 165 GLU CA . 52243 1 712 . 1 . 1 165 165 GLU CB C 13 29.55965091 0 . . . . . . . 165 GLU CB . 52243 1 713 . 1 . 1 165 165 GLU N N 15 116.711845 0.03795838177 . . . . . . . 165 GLU N . 52243 1 714 . 1 . 1 166 166 GLN C C 13 176.4033525 0 . . . . . . . 166 GLN C . 52243 1 715 . 1 . 1 166 166 GLN CA C 13 57.17523834 0 . . . . . . . 166 GLN CA . 52243 1 716 . 1 . 1 166 166 GLN CB C 13 27.85395133 0 . . . . . . . 166 GLN CB . 52243 1 717 . 1 . 1 167 167 ASP H H 1 8.961051045 0.004401587884 . . . . . . . 167 ASP H . 52243 1 718 . 1 . 1 167 167 ASP C C 13 178.6477378 0 . . . . . . . 167 ASP C . 52243 1 719 . 1 . 1 167 167 ASP CA C 13 55.19314705 0 . . . . . . . 167 ASP CA . 52243 1 720 . 1 . 1 167 167 ASP CB C 13 43.27014712 0 . . . . . . . 167 ASP CB . 52243 1 721 . 1 . 1 167 167 ASP N N 15 127.2324323 0.0136233964 . . . . . . . 167 ASP N . 52243 1 722 . 1 . 1 168 168 SER H H 1 8.683111796 0.004070120795 . . . . . . . 168 SER H . 52243 1 723 . 1 . 1 168 168 SER C C 13 174.0483724 0 . . . . . . . 168 SER C . 52243 1 724 . 1 . 1 168 168 SER CA C 13 60.66179439 0 . . . . . . . 168 SER CA . 52243 1 725 . 1 . 1 168 168 SER CB C 13 62.80910384 0 . . . . . . . 168 SER CB . 52243 1 726 . 1 . 1 168 168 SER N N 15 122.3726071 0.01868558909 . . . . . . . 168 SER N . 52243 1 727 . 1 . 1 169 169 LYS H H 1 8.603894182 0.004060045251 . . . . . . . 169 LYS H . 52243 1 728 . 1 . 1 169 169 LYS C C 13 178.0193911 0 . . . . . . . 169 LYS C . 52243 1 729 . 1 . 1 169 169 LYS CA C 13 57.16002097 0 . . . . . . . 169 LYS CA . 52243 1 730 . 1 . 1 169 169 LYS CB C 13 31.95657764 0 . . . . . . . 169 LYS CB . 52243 1 731 . 1 . 1 169 169 LYS N N 15 121.6539578 0.01738790834 . . . . . . . 169 LYS N . 52243 1 732 . 1 . 1 170 170 ASP H H 1 8.465300135 0.00722677136 . . . . . . . 170 ASP H . 52243 1 733 . 1 . 1 170 170 ASP C C 13 176.2213035 0 . . . . . . . 170 ASP C . 52243 1 734 . 1 . 1 170 170 ASP CA C 13 52.66118892 0 . . . . . . . 170 ASP CA . 52243 1 735 . 1 . 1 170 170 ASP CB C 13 41.5969238 0 . . . . . . . 170 ASP CB . 52243 1 736 . 1 . 1 170 170 ASP N N 15 117.1292618 0.02245579836 . . . . . . . 170 ASP N . 52243 1 737 . 1 . 1 171 171 SER H H 1 7.666087841 0.004541803977 . . . . . . . 171 SER H . 52243 1 738 . 1 . 1 171 171 SER C C 13 172.7615593 0 . . . . . . . 171 SER C . 52243 1 739 . 1 . 1 171 171 SER CA C 13 58.97041363 0 . . . . . . . 171 SER CA . 52243 1 740 . 1 . 1 171 171 SER CB C 13 59.64131926 0 . . . . . . . 171 SER CB . 52243 1 741 . 1 . 1 171 171 SER N N 15 108.9877323 0.06563248046 . . . . . . . 171 SER N . 52243 1 742 . 1 . 1 172 172 THR H H 1 7.66794856 0.002445064144 . . . . . . . 172 THR H . 52243 1 743 . 1 . 1 172 172 THR C C 13 173.1064086 0 . . . . . . . 172 THR C . 52243 1 744 . 1 . 1 172 172 THR CA C 13 60.20653346 0 . . . . . . . 172 THR CA . 52243 1 745 . 1 . 1 172 172 THR CB C 13 71.40694291 0 . . . . . . . 172 THR CB . 52243 1 746 . 1 . 1 172 172 THR N N 15 107.8626391 0.006680782987 . . . . . . . 172 THR N . 52243 1 747 . 1 . 1 173 173 TYR H H 1 8.832308216 0.002875218139 . . . . . . . 173 TYR H . 52243 1 748 . 1 . 1 173 173 TYR C C 13 174.3651144 0 . . . . . . . 173 TYR C . 52243 1 749 . 1 . 1 173 173 TYR CA C 13 57.20424584 0 . . . . . . . 173 TYR CA . 52243 1 750 . 1 . 1 173 173 TYR CB C 13 40.80296373 0 . . . . . . . 173 TYR CB . 52243 1 751 . 1 . 1 173 173 TYR N N 15 116.9381389 0.02405535638 . . . . . . . 173 TYR N . 52243 1 752 . 1 . 1 174 174 SER H H 1 7.588918202 0.007371145725 . . . . . . . 174 SER H . 52243 1 753 . 1 . 1 174 174 SER C C 13 171.1811082 0 . . . . . . . 174 SER C . 52243 1 754 . 1 . 1 174 174 SER CA C 13 58.454548 0 . . . . . . . 174 SER CA . 52243 1 755 . 1 . 1 174 174 SER CB C 13 66.02043733 0 . . . . . . . 174 SER CB . 52243 1 756 . 1 . 1 174 174 SER N N 15 111.9085383 0.03529359482 . . . . . . . 174 SER N . 52243 1 757 . 1 . 1 175 175 LEU H H 1 9.864657999 0.002439163355 . . . . . . . 175 LEU H . 52243 1 758 . 1 . 1 175 175 LEU C C 13 173.6745387 0 . . . . . . . 175 LEU C . 52243 1 759 . 1 . 1 175 175 LEU CA C 13 55.00644146 0 . . . . . . . 175 LEU CA . 52243 1 760 . 1 . 1 175 175 LEU CB C 13 46.8604373 0 . . . . . . . 175 LEU CB . 52243 1 761 . 1 . 1 175 175 LEU N N 15 126.1260764 0.03017385322 . . . . . . . 175 LEU N . 52243 1 762 . 1 . 1 176 176 SER H H 1 9.186056153 0.001876522474 . . . . . . . 176 SER H . 52243 1 763 . 1 . 1 176 176 SER C C 13 173.4068779 0 . . . . . . . 176 SER C . 52243 1 764 . 1 . 1 176 176 SER CA C 13 54.9757819 0 . . . . . . . 176 SER CA . 52243 1 765 . 1 . 1 176 176 SER CB C 13 64.61395198 0 . . . . . . . 176 SER CB . 52243 1 766 . 1 . 1 176 176 SER N N 15 120.5095027 0.05089791196 . . . . . . . 176 SER N . 52243 1 767 . 1 . 1 177 177 SER H H 1 9.221694985 0.001061287218 . . . . . . . 177 SER H . 52243 1 768 . 1 . 1 177 177 SER C C 13 174.3931699 0 . . . . . . . 177 SER C . 52243 1 769 . 1 . 1 177 177 SER CA C 13 56.19985701 0 . . . . . . . 177 SER CA . 52243 1 770 . 1 . 1 177 177 SER CB C 13 63.45163418 0 . . . . . . . 177 SER CB . 52243 1 771 . 1 . 1 177 177 SER N N 15 120.3822938 0.04367878922 . . . . . . . 177 SER N . 52243 1 772 . 1 . 1 178 178 THR H H 1 8.87803339 0.003977574314 . . . . . . . 178 THR H . 52243 1 773 . 1 . 1 178 178 THR C C 13 173.5310031 0 . . . . . . . 178 THR C . 52243 1 774 . 1 . 1 178 178 THR CA C 13 61.20559098 0 . . . . . . . 178 THR CA . 52243 1 775 . 1 . 1 178 178 THR CB C 13 69.92025874 0 . . . . . . . 178 THR CB . 52243 1 776 . 1 . 1 178 178 THR N N 15 124.8855344 0.01905297851 . . . . . . . 178 THR N . 52243 1 777 . 1 . 1 179 179 LEU H H 1 9.227668094 0.001221195649 . . . . . . . 179 LEU H . 52243 1 778 . 1 . 1 179 179 LEU C C 13 175.0043679 0 . . . . . . . 179 LEU C . 52243 1 779 . 1 . 1 179 179 LEU CA C 13 53.28426947 0 . . . . . . . 179 LEU CA . 52243 1 780 . 1 . 1 179 179 LEU CB C 13 41.15985522 0 . . . . . . . 179 LEU CB . 52243 1 781 . 1 . 1 179 179 LEU N N 15 135.1736463 0.01544534544 . . . . . . . 179 LEU N . 52243 1 782 . 1 . 1 180 180 THR H H 1 8.080703084 0.002489079698 . . . . . . . 180 THR H . 52243 1 783 . 1 . 1 180 180 THR C C 13 173.2589626 0 . . . . . . . 180 THR C . 52243 1 784 . 1 . 1 180 180 THR CA C 13 61.76643213 0 . . . . . . . 180 THR CA . 52243 1 785 . 1 . 1 180 180 THR CB C 13 69.39096122 0 . . . . . . . 180 THR CB . 52243 1 786 . 1 . 1 180 180 THR N N 15 123.0855103 0.03477471374 . . . . . . . 180 THR N . 52243 1 787 . 1 . 1 181 181 LEU H H 1 8.78942355 0.003556670446 . . . . . . . 181 LEU H . 52243 1 788 . 1 . 1 181 181 LEU C C 13 175.9994235 0 . . . . . . . 181 LEU C . 52243 1 789 . 1 . 1 181 181 LEU CA C 13 52.65089201 0 . . . . . . . 181 LEU CA . 52243 1 790 . 1 . 1 181 181 LEU CB C 13 46.08710509 0 . . . . . . . 181 LEU CB . 52243 1 791 . 1 . 1 181 181 LEU N N 15 127.6710378 0.0387603908 . . . . . . . 181 LEU N . 52243 1 792 . 1 . 1 182 182 SER H H 1 9.001405169 0.002616112371 . . . . . . . 182 SER H . 52243 1 793 . 1 . 1 182 182 SER C C 13 174.7641673 0 . . . . . . . 182 SER C . 52243 1 794 . 1 . 1 182 182 SER CA C 13 57.61753122 0 . . . . . . . 182 SER CA . 52243 1 795 . 1 . 1 182 182 SER CB C 13 63.82856386 0 . . . . . . . 182 SER CB . 52243 1 796 . 1 . 1 182 182 SER N N 15 116.5510095 0.01884248365 . . . . . . . 182 SER N . 52243 1 797 . 1 . 1 183 183 LYS H H 1 7.908937825 0.001578399925 . . . . . . . 183 LYS H . 52243 1 798 . 1 . 1 183 183 LYS C C 13 176.9670812 0 . . . . . . . 183 LYS C . 52243 1 799 . 1 . 1 183 183 LYS CA C 13 59.98700623 0 . . . . . . . 183 LYS CA . 52243 1 800 . 1 . 1 183 183 LYS CB C 13 31.67632967 0 . . . . . . . 183 LYS CB . 52243 1 801 . 1 . 1 183 183 LYS N N 15 123.5138992 0.005693035016 . . . . . . . 183 LYS N . 52243 1 802 . 1 . 1 184 184 ALA H H 1 8.263703089 0.001712255699 . . . . . . . 184 ALA H . 52243 1 803 . 1 . 1 184 184 ALA C C 13 180.3482283 0 . . . . . . . 184 ALA C . 52243 1 804 . 1 . 1 184 184 ALA CA C 13 54.37091707 0 . . . . . . . 184 ALA CA . 52243 1 805 . 1 . 1 184 184 ALA CB C 13 17.39714992 0 . . . . . . . 184 ALA CB . 52243 1 806 . 1 . 1 184 184 ALA N N 15 118.4651587 0.03786272073 . . . . . . . 184 ALA N . 52243 1 807 . 1 . 1 185 185 ASP H H 1 7.683372486 0.002257365009 . . . . . . . 185 ASP H . 52243 1 808 . 1 . 1 185 185 ASP C C 13 178.59402 0 . . . . . . . 185 ASP C . 52243 1 809 . 1 . 1 185 185 ASP CA C 13 56.82546857 0 . . . . . . . 185 ASP CA . 52243 1 810 . 1 . 1 185 185 ASP CB C 13 40.07833161 0 . . . . . . . 185 ASP CB . 52243 1 811 . 1 . 1 185 185 ASP N N 15 117.8481926 0.01387900113 . . . . . . . 185 ASP N . 52243 1 812 . 1 . 1 186 186 TYR H H 1 8.656614427 0.001252685929 . . . . . . . 186 TYR H . 52243 1 813 . 1 . 1 186 186 TYR C C 13 179.565592 0 . . . . . . . 186 TYR C . 52243 1 814 . 1 . 1 186 186 TYR CA C 13 58.51759526 0 . . . . . . . 186 TYR CA . 52243 1 815 . 1 . 1 186 186 TYR CB C 13 38.25982182 0 . . . . . . . 186 TYR CB . 52243 1 816 . 1 . 1 186 186 TYR N N 15 122.0979816 0.01613895001 . . . . . . . 186 TYR N . 52243 1 817 . 1 . 1 187 187 GLU H H 1 7.990720045 0.006013763357 . . . . . . . 187 GLU H . 52243 1 818 . 1 . 1 187 187 GLU C C 13 175.9808541 0 . . . . . . . 187 GLU C . 52243 1 819 . 1 . 1 187 187 GLU CA C 13 57.1694622 0 . . . . . . . 187 GLU CA . 52243 1 820 . 1 . 1 187 187 GLU CB C 13 28.27997975 0 . . . . . . . 187 GLU CB . 52243 1 821 . 1 . 1 187 187 GLU N N 15 114.6634842 0.04423138056 . . . . . . . 187 GLU N . 52243 1 822 . 1 . 1 188 188 LYS H H 1 7.191735339 0.002581605185 . . . . . . . 188 LYS H . 52243 1 823 . 1 . 1 188 188 LYS C C 13 175.8154653 0 . . . . . . . 188 LYS C . 52243 1 824 . 1 . 1 188 188 LYS CA C 13 56.35353219 0 . . . . . . . 188 LYS CA . 52243 1 825 . 1 . 1 188 188 LYS CB C 13 32.34476363 0 . . . . . . . 188 LYS CB . 52243 1 826 . 1 . 1 188 188 LYS N N 15 117.4558878 0.02313789532 . . . . . . . 188 LYS N . 52243 1 827 . 1 . 1 189 189 HIS H H 1 6.958450502 0.003418357264 . . . . . . . 189 HIS H . 52243 1 828 . 1 . 1 189 189 HIS C C 13 173.0594694 0 . . . . . . . 189 HIS C . 52243 1 829 . 1 . 1 189 189 HIS CA C 13 53.45572503 0 . . . . . . . 189 HIS CA . 52243 1 830 . 1 . 1 189 189 HIS CB C 13 30.62849845 0 . . . . . . . 189 HIS CB . 52243 1 831 . 1 . 1 189 189 HIS N N 15 115.22938 0.04638271048 . . . . . . . 189 HIS N . 52243 1 832 . 1 . 1 190 190 LYS H H 1 9.343453298 0.002572541404 . . . . . . . 190 LYS H . 52243 1 833 . 1 . 1 190 190 LYS C C 13 174.9483749 0 . . . . . . . 190 LYS C . 52243 1 834 . 1 . 1 190 190 LYS CA C 13 58.11041109 0 . . . . . . . 190 LYS CA . 52243 1 835 . 1 . 1 190 190 LYS CB C 13 34.49342418 0 . . . . . . . 190 LYS CB . 52243 1 836 . 1 . 1 190 190 LYS N N 15 122.7901618 0.01083681179 . . . . . . . 190 LYS N . 52243 1 837 . 1 . 1 191 191 VAL H H 1 8.476268417 0.003730379348 . . . . . . . 191 VAL H . 52243 1 838 . 1 . 1 191 191 VAL C C 13 174.5738217 0 . . . . . . . 191 VAL C . 52243 1 839 . 1 . 1 191 191 VAL CA C 13 61.64278153 0 . . . . . . . 191 VAL CA . 52243 1 840 . 1 . 1 191 191 VAL CB C 13 32.38780542 0 . . . . . . . 191 VAL CB . 52243 1 841 . 1 . 1 191 191 VAL N N 15 120.0820265 0.030327841 . . . . . . . 191 VAL N . 52243 1 842 . 1 . 1 192 192 TYR H H 1 8.138588795 0.00142234783 . . . . . . . 192 TYR H . 52243 1 843 . 1 . 1 192 192 TYR C C 13 173.6427293 0 . . . . . . . 192 TYR C . 52243 1 844 . 1 . 1 192 192 TYR CA C 13 57.5591697 0 . . . . . . . 192 TYR CA . 52243 1 845 . 1 . 1 192 192 TYR CB C 13 41.33693145 0 . . . . . . . 192 TYR CB . 52243 1 846 . 1 . 1 192 192 TYR N N 15 127.7331965 0.02028830786 . . . . . . . 192 TYR N . 52243 1 847 . 1 . 1 193 193 ALA H H 1 8.698300178 0.004158272315 . . . . . . . 193 ALA H . 52243 1 848 . 1 . 1 193 193 ALA C C 13 174.0284861 0 . . . . . . . 193 ALA C . 52243 1 849 . 1 . 1 193 193 ALA CA C 13 50.05078553 0 . . . . . . . 193 ALA CA . 52243 1 850 . 1 . 1 193 193 ALA CB C 13 22.3452381 0 . . . . . . . 193 ALA CB . 52243 1 851 . 1 . 1 193 193 ALA N N 15 122.846353 0.0260328553 . . . . . . . 193 ALA N . 52243 1 852 . 1 . 1 194 194 CYS H H 1 8.616247526 0.002967344566 . . . . . . . 194 CYS H . 52243 1 853 . 1 . 1 194 194 CYS C C 13 171.2617964 0 . . . . . . . 194 CYS C . 52243 1 854 . 1 . 1 194 194 CYS CA C 13 52.24916277 0 . . . . . . . 194 CYS CA . 52243 1 855 . 1 . 1 194 194 CYS CB C 13 43.97211073 0 . . . . . . . 194 CYS CB . 52243 1 856 . 1 . 1 194 194 CYS N N 15 119.8210048 0.04392305749 . . . . . . . 194 CYS N . 52243 1 857 . 1 . 1 195 195 GLU H H 1 8.828026927 0.001193528563 . . . . . . . 195 GLU H . 52243 1 858 . 1 . 1 195 195 GLU C C 13 175.7346496 0 . . . . . . . 195 GLU C . 52243 1 859 . 1 . 1 195 195 GLU CA C 13 54.02295763 0 . . . . . . . 195 GLU CA . 52243 1 860 . 1 . 1 195 195 GLU CB C 13 31.99321628 0 . . . . . . . 195 GLU CB . 52243 1 861 . 1 . 1 195 195 GLU N N 15 126.360506 0.0148663648 . . . . . . . 195 GLU N . 52243 1 862 . 1 . 1 196 196 VAL H H 1 9.344712701 0.001826322347 . . . . . . . 196 VAL H . 52243 1 863 . 1 . 1 196 196 VAL C C 13 174.2321992 0 . . . . . . . 196 VAL C . 52243 1 864 . 1 . 1 196 196 VAL CA C 13 61.21564058 0 . . . . . . . 196 VAL CA . 52243 1 865 . 1 . 1 196 196 VAL CB C 13 33.91459015 0 . . . . . . . 196 VAL CB . 52243 1 866 . 1 . 1 196 196 VAL N N 15 129.788636 0.02745117247 . . . . . . . 196 VAL N . 52243 1 867 . 1 . 1 197 197 THR H H 1 8.570070314 0.002332226856 . . . . . . . 197 THR H . 52243 1 868 . 1 . 1 197 197 THR C C 13 173.4138894 0 . . . . . . . 197 THR C . 52243 1 869 . 1 . 1 197 197 THR CA C 13 60.71354746 0 . . . . . . . 197 THR CA . 52243 1 870 . 1 . 1 197 197 THR CB C 13 70.07571647 0 . . . . . . . 197 THR CB . 52243 1 871 . 1 . 1 197 197 THR N N 15 120.7139061 0.03995181712 . . . . . . . 197 THR N . 52243 1 872 . 1 . 1 198 198 HIS H H 1 8.031616022 0.002300710082 . . . . . . . 198 HIS H . 52243 1 873 . 1 . 1 198 198 HIS C C 13 174.9729552 0 . . . . . . . 198 HIS C . 52243 1 874 . 1 . 1 198 198 HIS CA C 13 57.69996179 0 . . . . . . . 198 HIS CA . 52243 1 875 . 1 . 1 198 198 HIS CB C 13 34.3808758 0 . . . . . . . 198 HIS CB . 52243 1 876 . 1 . 1 198 198 HIS N N 15 123.5627474 0.0230994545 . . . . . . . 198 HIS N . 52243 1 877 . 1 . 1 199 199 GLN H H 1 8.150916523 0.004099154038 . . . . . . . 199 GLN H . 52243 1 878 . 1 . 1 199 199 GLN C C 13 176.4624566 0 . . . . . . . 199 GLN C . 52243 1 879 . 1 . 1 199 199 GLN CA C 13 58.05314838 0 . . . . . . . 199 GLN CA . 52243 1 880 . 1 . 1 199 199 GLN CB C 13 28.60925519 0 . . . . . . . 199 GLN CB . 52243 1 881 . 1 . 1 199 199 GLN N N 15 126.335714 0.02967641519 . . . . . . . 199 GLN N . 52243 1 882 . 1 . 1 200 200 GLY C C 13 173.00034 0 . . . . . . . 200 GLY C . 52243 1 883 . 1 . 1 200 200 GLY CA C 13 44.95671851 0 . . . . . . . 200 GLY CA . 52243 1 884 . 1 . 1 201 201 LEU H H 1 8.02162419 0.00201088384 . . . . . . . 201 LEU H . 52243 1 885 . 1 . 1 201 201 LEU C C 13 176.7669735 0 . . . . . . . 201 LEU C . 52243 1 886 . 1 . 1 201 201 LEU CA C 13 52.64387706 0 . . . . . . . 201 LEU CA . 52243 1 887 . 1 . 1 201 201 LEU CB C 13 41.98554501 0 . . . . . . . 201 LEU CB . 52243 1 888 . 1 . 1 201 201 LEU N N 15 122.079966 0.03198664062 . . . . . . . 201 LEU N . 52243 1 889 . 1 . 1 202 202 SER H H 1 8.830648396 0.001708905947 . . . . . . . 202 SER H . 52243 1 890 . 1 . 1 202 202 SER C C 13 174.3001775 0 . . . . . . . 202 SER C . 52243 1 891 . 1 . 1 202 202 SER CA C 13 60.07629888 0 . . . . . . . 202 SER CA . 52243 1 892 . 1 . 1 202 202 SER CB C 13 62.55485635 0 . . . . . . . 202 SER CB . 52243 1 893 . 1 . 1 202 202 SER N N 15 119.3526964 0.00410839907 . . . . . . . 202 SER N . 52243 1 894 . 1 . 1 203 203 SER H H 1 7.524826393 0.004247172518 . . . . . . . 203 SER H . 52243 1 895 . 1 . 1 203 203 SER C C 13 170.7345911 0 . . . . . . . 203 SER C . 52243 1 896 . 1 . 1 203 203 SER CA C 13 55.90394685 0 . . . . . . . 203 SER CA . 52243 1 897 . 1 . 1 203 203 SER CB C 13 63.36253945 0 . . . . . . . 203 SER CB . 52243 1 898 . 1 . 1 203 203 SER N N 15 115.126412 0.0264521859 . . . . . . . 203 SER N . 52243 1 899 . 1 . 1 204 204 PRO C C 13 177.4582243 0 . . . . . . . 204 PRO C . 52243 1 900 . 1 . 1 204 204 PRO CA C 13 63.29523326 0 . . . . . . . 204 PRO CA . 52243 1 901 . 1 . 1 204 204 PRO CB C 13 30.80772133 0 . . . . . . . 204 PRO CB . 52243 1 902 . 1 . 1 205 205 VAL H H 1 8.474758656 0.002886037906 . . . . . . . 205 VAL H . 52243 1 903 . 1 . 1 205 205 VAL C C 13 174.4036327 0 . . . . . . . 205 VAL C . 52243 1 904 . 1 . 1 205 205 VAL CA C 13 60.39658775 0 . . . . . . . 205 VAL CA . 52243 1 905 . 1 . 1 205 205 VAL CB C 13 33.97595289 0 . . . . . . . 205 VAL CB . 52243 1 906 . 1 . 1 205 205 VAL N N 15 124.0995511 0.02264333573 . . . . . . . 205 VAL N . 52243 1 907 . 1 . 1 206 206 THR H H 1 8.40830346 0.001641640025 . . . . . . . 206 THR H . 52243 1 908 . 1 . 1 206 206 THR C C 13 174.4426176 0 . . . . . . . 206 THR C . 52243 1 909 . 1 . 1 206 206 THR CA C 13 60.79547421 0 . . . . . . . 206 THR CA . 52243 1 910 . 1 . 1 206 206 THR CB C 13 69.61372201 0 . . . . . . . 206 THR CB . 52243 1 911 . 1 . 1 206 206 THR N N 15 122.5986553 0.03342131239 . . . . . . . 206 THR N . 52243 1 912 . 1 . 1 207 207 LYS H H 1 8.580085349 0.001845412976 . . . . . . . 207 LYS H . 52243 1 913 . 1 . 1 207 207 LYS C C 13 174.3911152 0 . . . . . . . 207 LYS C . 52243 1 914 . 1 . 1 207 207 LYS CA C 13 52.6597018 0 . . . . . . . 207 LYS CA . 52243 1 915 . 1 . 1 207 207 LYS CB C 13 32.72573676 0 . . . . . . . 207 LYS CB . 52243 1 916 . 1 . 1 207 207 LYS N N 15 127.3450098 0.01199633151 . . . . . . . 207 LYS N . 52243 1 917 . 1 . 1 208 208 SER H H 1 8.541123315 0.001806147259 . . . . . . . 208 SER H . 52243 1 918 . 1 . 1 208 208 SER C C 13 173.2173737 0 . . . . . . . 208 SER C . 52243 1 919 . 1 . 1 208 208 SER CA C 13 56.25106865 0 . . . . . . . 208 SER CA . 52243 1 920 . 1 . 1 208 208 SER CB C 13 67.54180326 0 . . . . . . . 208 SER CB . 52243 1 921 . 1 . 1 208 208 SER N N 15 116.8402984 0.01355958089 . . . . . . . 208 SER N . 52243 1 922 . 1 . 1 209 209 PHE H H 1 8.689520696 0.003903950646 . . . . . . . 209 PHE H . 52243 1 923 . 1 . 1 209 209 PHE C C 13 171.546787 0 . . . . . . . 209 PHE C . 52243 1 924 . 1 . 1 209 209 PHE CA C 13 56.48802883 0 . . . . . . . 209 PHE CA . 52243 1 925 . 1 . 1 209 209 PHE CB C 13 41.20429019 0 . . . . . . . 209 PHE CB . 52243 1 926 . 1 . 1 209 209 PHE N N 15 116.3745007 0.02414051785 . . . . . . . 209 PHE N . 52243 1 927 . 1 . 1 210 210 ASN H H 1 8.710171715 0.002640263933 . . . . . . . 210 ASN H . 52243 1 928 . 1 . 1 210 210 ASN C C 13 176.1101554 0 . . . . . . . 210 ASN C . 52243 1 929 . 1 . 1 210 210 ASN CA C 13 50.26578248 0 . . . . . . . 210 ASN CA . 52243 1 930 . 1 . 1 210 210 ASN CB C 13 38.99600354 0 . . . . . . . 210 ASN CB . 52243 1 931 . 1 . 1 210 210 ASN N N 15 118.8620519 0.03420455251 . . . . . . . 210 ASN N . 52243 1 932 . 1 . 1 211 211 ARG H H 1 9.65916832 0.001483205693 . . . . . . . 211 ARG H . 52243 1 933 . 1 . 1 211 211 ARG C C 13 177.1283148 0 . . . . . . . 211 ARG C . 52243 1 934 . 1 . 1 211 211 ARG CA C 13 58.32780808 0 . . . . . . . 211 ARG CA . 52243 1 935 . 1 . 1 211 211 ARG CB C 13 29.36097196 0 . . . . . . . 211 ARG CB . 52243 1 936 . 1 . 1 211 211 ARG N N 15 127.4145696 0.0134684964 . . . . . . . 211 ARG N . 52243 1 937 . 1 . 1 212 212 GLY H H 1 9.012004677 0.00181347266 . . . . . . . 212 GLY H . 52243 1 938 . 1 . 1 212 212 GLY C C 13 174.4008891 0 . . . . . . . 212 GLY C . 52243 1 939 . 1 . 1 212 212 GLY CA C 13 44.96136647 0 . . . . . . . 212 GLY CA . 52243 1 940 . 1 . 1 212 212 GLY N N 15 114.1882876 0.04685150608 . . . . . . . 212 GLY N . 52243 1 941 . 1 . 1 213 213 GLU H H 1 7.878703501 0.003145844823 . . . . . . . 213 GLU H . 52243 1 942 . 1 . 1 213 213 GLU C C 13 175.5336898 0 . . . . . . . 213 GLU C . 52243 1 943 . 1 . 1 213 213 GLU CA C 13 55.84779076 0 . . . . . . . 213 GLU CA . 52243 1 944 . 1 . 1 213 213 GLU CB C 13 30.4250647 0 . . . . . . . 213 GLU CB . 52243 1 945 . 1 . 1 213 213 GLU N N 15 120.6805148 0.03496507825 . . . . . . . 213 GLU N . 52243 1 946 . 1 . 1 214 214 CYS H H 1 8.147392372 0.001138951767 . . . . . . . 214 CYS H . 52243 1 947 . 1 . 1 214 214 CYS C C 13 178.9275731 0 . . . . . . . 214 CYS C . 52243 1 948 . 1 . 1 214 214 CYS CA C 13 57.5960663 0 . . . . . . . 214 CYS CA . 52243 1 949 . 1 . 1 214 214 CYS CB C 13 42.75047848 0 . . . . . . . 214 CYS CB . 52243 1 950 . 1 . 1 214 214 CYS N N 15 125.0233011 0.01281085025 . . . . . . . 214 CYS N . 52243 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 52243 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Anti LAMP1 Fab heavy chain' _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52243 2 2 '3D BT_HNCO' . . . 52243 2 3 '3D BT_HNCA' . . . 52243 2 4 '3D BT_HN(CA)CO' . . . 52243 2 5 '3D BT_HNCACB' . . . 52243 2 6 '3D BT_HN(CO)CA' . . . 52243 2 7 '3D BT_HN(COCA)CB' . . . 52243 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 . . 52243 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 . 2 . 2 3 3 VAL C C 13 175.4102486 0 . . . . . . . 3 VAL C . 52243 2 2 . 2 . 2 3 3 VAL CA C 13 62.86980421 0 . . . . . . . 3 VAL CA . 52243 2 3 . 2 . 2 3 3 VAL CB C 13 30.6029293 0 . . . . . . . 3 VAL CB . 52243 2 4 . 2 . 2 4 4 GLN H H 1 8.125823129 0.00446607845 . . . . . . . 4 GLN H . 52243 2 5 . 2 . 2 4 4 GLN C C 13 173.6955053 0 . . . . . . . 4 GLN C . 52243 2 6 . 2 . 2 4 4 GLN CA C 13 54.85140147 0 . . . . . . . 4 GLN CA . 52243 2 7 . 2 . 2 4 4 GLN CB C 13 31.98409742 0 . . . . . . . 4 GLN CB . 52243 2 8 . 2 . 2 4 4 GLN N N 15 125.0016158 0.03737875733 . . . . . . . 4 GLN N . 52243 2 9 . 2 . 2 5 5 LEU H H 1 8.206895488 0.00864576896 . . . . . . . 5 LEU H . 52243 2 10 . 2 . 2 5 5 LEU C C 13 175.8373472 0 . . . . . . . 5 LEU C . 52243 2 11 . 2 . 2 5 5 LEU CA C 13 53.59105341 0 . . . . . . . 5 LEU CA . 52243 2 12 . 2 . 2 5 5 LEU CB C 13 43.34503455 0 . . . . . . . 5 LEU CB . 52243 2 13 . 2 . 2 5 5 LEU N N 15 124.0225643 0.04164127567 . . . . . . . 5 LEU N . 52243 2 14 . 2 . 2 6 6 VAL H H 1 8.993004364 0.001737150032 . . . . . . . 6 VAL H . 52243 2 15 . 2 . 2 6 6 VAL C C 13 176.7411015 0 . . . . . . . 6 VAL C . 52243 2 16 . 2 . 2 6 6 VAL CA C 13 61.66678145 0 . . . . . . . 6 VAL CA . 52243 2 17 . 2 . 2 6 6 VAL CB C 13 33.02098238 0 . . . . . . . 6 VAL CB . 52243 2 18 . 2 . 2 6 6 VAL N N 15 123.577016 0.0308483933 . . . . . . . 6 VAL N . 52243 2 19 . 2 . 2 7 7 GLN H H 1 9.513122041 0.004219658295 . . . . . . . 7 GLN H . 52243 2 20 . 2 . 2 7 7 GLN C C 13 176.1039838 0 . . . . . . . 7 GLN C . 52243 2 21 . 2 . 2 7 7 GLN CA C 13 54.66715264 0 . . . . . . . 7 GLN CA . 52243 2 22 . 2 . 2 7 7 GLN CB C 13 30.36287153 0 . . . . . . . 7 GLN CB . 52243 2 23 . 2 . 2 7 7 GLN N N 15 129.8975928 0.00767659559 . . . . . . . 7 GLN N . 52243 2 24 . 2 . 2 8 8 SER H H 1 7.963189944 0.002278710857 . . . . . . . 8 SER H . 52243 2 25 . 2 . 2 8 8 SER C C 13 175.921019 0 . . . . . . . 8 SER C . 52243 2 26 . 2 . 2 8 8 SER CA C 13 58.12212052 0 . . . . . . . 8 SER CA . 52243 2 27 . 2 . 2 8 8 SER CB C 13 63.20006048 0 . . . . . . . 8 SER CB . 52243 2 28 . 2 . 2 8 8 SER N N 15 114.8184534 0.01987953916 . . . . . . . 8 SER N . 52243 2 29 . 2 . 2 9 9 GLY H H 1 8.548727394 0.002342044721 . . . . . . . 9 GLY H . 52243 2 30 . 2 . 2 9 9 GLY C C 13 172.2479703 0 . . . . . . . 9 GLY C . 52243 2 31 . 2 . 2 9 9 GLY CA C 13 44.59741481 0 . . . . . . . 9 GLY CA . 52243 2 32 . 2 . 2 9 9 GLY N N 15 107.9123787 0.03808483475 . . . . . . . 9 GLY N . 52243 2 33 . 2 . 2 10 10 ALA H H 1 8.01744901 0.001696460208 . . . . . . . 10 ALA H . 52243 2 34 . 2 . 2 10 10 ALA C C 13 178.7664676 0 . . . . . . . 10 ALA C . 52243 2 35 . 2 . 2 10 10 ALA CA C 13 52.74028285 0 . . . . . . . 10 ALA CA . 52243 2 36 . 2 . 2 10 10 ALA CB C 13 19.11349286 0 . . . . . . . 10 ALA CB . 52243 2 37 . 2 . 2 10 10 ALA N N 15 120.2341828 0.03175717451 . . . . . . . 10 ALA N . 52243 2 38 . 2 . 2 11 11 GLU H H 1 8.346100821 0.0023316463 . . . . . . . 11 GLU H . 52243 2 39 . 2 . 2 11 11 GLU C C 13 175.8521625 0 . . . . . . . 11 GLU C . 52243 2 40 . 2 . 2 11 11 GLU CA C 13 54.71522608 0 . . . . . . . 11 GLU CA . 52243 2 41 . 2 . 2 11 11 GLU CB C 13 34.09261837 0 . . . . . . . 11 GLU CB . 52243 2 42 . 2 . 2 11 11 GLU N N 15 119.373759 0.02913273597 . . . . . . . 11 GLU N . 52243 2 43 . 2 . 2 12 12 VAL H H 1 8.663667743 0.002564028969 . . . . . . . 12 VAL H . 52243 2 44 . 2 . 2 12 12 VAL C C 13 175.8670954 0 . . . . . . . 12 VAL C . 52243 2 45 . 2 . 2 12 12 VAL CA C 13 60.93484697 0 . . . . . . . 12 VAL CA . 52243 2 46 . 2 . 2 12 12 VAL CB C 13 32.28670822 0 . . . . . . . 12 VAL CB . 52243 2 47 . 2 . 2 12 12 VAL N N 15 124.9884377 0.02415309968 . . . . . . . 12 VAL N . 52243 2 48 . 2 . 2 13 13 LYS H H 1 8.766432411 0.003210423746 . . . . . . . 13 LYS H . 52243 2 49 . 2 . 2 13 13 LYS C C 13 174.7003969 0 . . . . . . . 13 LYS C . 52243 2 50 . 2 . 2 13 13 LYS CA C 13 51.41174696 0 . . . . . . . 13 LYS CA . 52243 2 51 . 2 . 2 13 13 LYS CB C 13 35.88120342 0 . . . . . . . 13 LYS CB . 52243 2 52 . 2 . 2 13 13 LYS N N 15 126.1549705 0.04407118917 . . . . . . . 13 LYS N . 52243 2 53 . 2 . 2 14 14 LYS H H 1 8.293305614 0.001499789274 . . . . . . . 14 LYS H . 52243 2 54 . 2 . 2 14 14 LYS C C 13 175.3711284 0 . . . . . . . 14 LYS C . 52243 2 55 . 2 . 2 14 14 LYS CA C 13 53.57027771 0 . . . . . . . 14 LYS CA . 52243 2 56 . 2 . 2 14 14 LYS CB C 13 30.72260759 0 . . . . . . . 14 LYS CB . 52243 2 57 . 2 . 2 14 14 LYS N N 15 119.5519867 0.02771952193 . . . . . . . 14 LYS N . 52243 2 58 . 2 . 2 15 15 PRO C C 13 177.5881426 0 . . . . . . . 15 PRO C . 52243 2 59 . 2 . 2 15 15 PRO CA C 13 63.02431668 0 . . . . . . . 15 PRO CA . 52243 2 60 . 2 . 2 15 15 PRO CB C 13 30.39746768 0 . . . . . . . 15 PRO CB . 52243 2 61 . 2 . 2 16 16 GLY H H 1 10.06190046 0.003643733052 . . . . . . . 16 GLY H . 52243 2 62 . 2 . 2 16 16 GLY C C 13 174.4720799 0 . . . . . . . 16 GLY C . 52243 2 63 . 2 . 2 16 16 GLY CA C 13 44.65663693 0 . . . . . . . 16 GLY CA . 52243 2 64 . 2 . 2 16 16 GLY N N 15 113.8670606 0.02519458861 . . . . . . . 16 GLY N . 52243 2 65 . 2 . 2 17 17 SER H H 1 7.570651488 0.002397877731 . . . . . . . 17 SER H . 52243 2 66 . 2 . 2 17 17 SER C C 13 171.2946545 0 . . . . . . . 17 SER C . 52243 2 67 . 2 . 2 17 17 SER CA C 13 57.79576687 0 . . . . . . . 17 SER CA . 52243 2 68 . 2 . 2 17 17 SER CB C 13 63.95800228 0 . . . . . . . 17 SER CB . 52243 2 69 . 2 . 2 17 17 SER N N 15 117.0000613 0.0185890871 . . . . . . . 17 SER N . 52243 2 70 . 2 . 2 18 18 SER H H 1 7.897820558 0.00302024188 . . . . . . . 18 SER H . 52243 2 71 . 2 . 2 18 18 SER C C 13 172.9914271 0 . . . . . . . 18 SER C . 52243 2 72 . 2 . 2 18 18 SER CA C 13 56.07008088 0 . . . . . . . 18 SER CA . 52243 2 73 . 2 . 2 18 18 SER CB C 13 65.76447191 0 . . . . . . . 18 SER CB . 52243 2 74 . 2 . 2 18 18 SER N N 15 111.6170408 0.03596147803 . . . . . . . 18 SER N . 52243 2 75 . 2 . 2 19 19 VAL H H 1 8.338041767 0.004894209301 . . . . . . . 19 VAL H . 52243 2 76 . 2 . 2 19 19 VAL C C 13 170.4106915 0 . . . . . . . 19 VAL C . 52243 2 77 . 2 . 2 19 19 VAL CA C 13 58.71503028 0 . . . . . . . 19 VAL CA . 52243 2 78 . 2 . 2 19 19 VAL CB C 13 34.12136473 0 . . . . . . . 19 VAL CB . 52243 2 79 . 2 . 2 19 19 VAL N N 15 118.8298569 0.05067652919 . . . . . . . 19 VAL N . 52243 2 80 . 2 . 2 20 20 LYS H H 1 8.277592786 0.002782646617 . . . . . . . 20 LYS H . 52243 2 81 . 2 . 2 20 20 LYS C C 13 174.8048865 0 . . . . . . . 20 LYS C . 52243 2 82 . 2 . 2 20 20 LYS CA C 13 54.78931917 0 . . . . . . . 20 LYS CA . 52243 2 83 . 2 . 2 20 20 LYS CB C 13 33.5453682 0 . . . . . . . 20 LYS CB . 52243 2 84 . 2 . 2 20 20 LYS N N 15 129.0214534 0.02178952741 . . . . . . . 20 LYS N . 52243 2 85 . 2 . 2 21 21 VAL H H 1 8.751743766 0.004428421442 . . . . . . . 21 VAL H . 52243 2 86 . 2 . 2 21 21 VAL C C 13 174.8124493 0 . . . . . . . 21 VAL C . 52243 2 87 . 2 . 2 21 21 VAL CA C 13 60.64870048 0 . . . . . . . 21 VAL CA . 52243 2 88 . 2 . 2 21 21 VAL CB C 13 32.62926042 0 . . . . . . . 21 VAL CB . 52243 2 89 . 2 . 2 21 21 VAL N N 15 128.1166291 0.01768136976 . . . . . . . 21 VAL N . 52243 2 90 . 2 . 2 22 22 SER H H 1 9.112772693 0.00214732777 . . . . . . . 22 SER H . 52243 2 91 . 2 . 2 22 22 SER C C 13 174.4295539 0 . . . . . . . 22 SER C . 52243 2 92 . 2 . 2 22 22 SER CA C 13 56.29216595 0 . . . . . . . 22 SER CA . 52243 2 93 . 2 . 2 22 22 SER CB C 13 67.35031879 0 . . . . . . . 22 SER CB . 52243 2 94 . 2 . 2 22 22 SER N N 15 118.6729328 0.03172933746 . . . . . . . 22 SER N . 52243 2 95 . 2 . 2 23 23 CYS H H 1 8.687312678 0.004949769735 . . . . . . . 23 CYS H . 52243 2 96 . 2 . 2 23 23 CYS C C 13 172.739501 0 . . . . . . . 23 CYS C . 52243 2 97 . 2 . 2 23 23 CYS CA C 13 55.54017896 0 . . . . . . . 23 CYS CA . 52243 2 98 . 2 . 2 23 23 CYS CB C 13 44.3269791 0 . . . . . . . 23 CYS CB . 52243 2 99 . 2 . 2 23 23 CYS N N 15 121.5587378 0.04137180886 . . . . . . . 23 CYS N . 52243 2 100 . 2 . 2 24 24 LYS H H 1 9.215186795 0.002480556707 . . . . . . . 24 LYS H . 52243 2 101 . 2 . 2 24 24 LYS C C 13 174.8833514 0 . . . . . . . 24 LYS C . 52243 2 102 . 2 . 2 24 24 LYS CA C 13 55.66758354 0 . . . . . . . 24 LYS CA . 52243 2 103 . 2 . 2 24 24 LYS CB C 13 33.09470156 0 . . . . . . . 24 LYS CB . 52243 2 104 . 2 . 2 24 24 LYS N N 15 132.655966 0.007431658849 . . . . . . . 24 LYS N . 52243 2 105 . 2 . 2 25 25 ALA H H 1 8.765722558 0.002424028928 . . . . . . . 25 ALA H . 52243 2 106 . 2 . 2 25 25 ALA C C 13 176.4985627 0 . . . . . . . 25 ALA C . 52243 2 107 . 2 . 2 25 25 ALA CA C 13 50.87720978 0 . . . . . . . 25 ALA CA . 52243 2 108 . 2 . 2 25 25 ALA CB C 13 22.43906456 0 . . . . . . . 25 ALA CB . 52243 2 109 . 2 . 2 25 25 ALA N N 15 132.8269554 0.02047758326 . . . . . . . 25 ALA N . 52243 2 110 . 2 . 2 26 26 SER H H 1 8.625848973 0.00388086857 . . . . . . . 26 SER H . 52243 2 111 . 2 . 2 26 26 SER C C 13 174.2189327 0 . . . . . . . 26 SER C . 52243 2 112 . 2 . 2 26 26 SER CA C 13 57.65410496 0 . . . . . . . 26 SER CA . 52243 2 113 . 2 . 2 26 26 SER CB C 13 65.14633946 0 . . . . . . . 26 SER CB . 52243 2 114 . 2 . 2 26 26 SER N N 15 113.0712379 0.04642904728 . . . . . . . 26 SER N . 52243 2 115 . 2 . 2 27 27 GLY H H 1 8.530272417 0.002647331327 . . . . . . . 27 GLY H . 52243 2 116 . 2 . 2 27 27 GLY C C 13 173.1103376 0 . . . . . . . 27 GLY C . 52243 2 117 . 2 . 2 27 27 GLY CA C 13 45.35715919 0 . . . . . . . 27 GLY CA . 52243 2 118 . 2 . 2 27 27 GLY N N 15 107.4219976 0.04066578998 . . . . . . . 27 GLY N . 52243 2 119 . 2 . 2 28 28 TYR H H 1 7.226071908 0.004494412302 . . . . . . . 28 TYR H . 52243 2 120 . 2 . 2 28 28 TYR C C 13 173.2549286 0 . . . . . . . 28 TYR C . 52243 2 121 . 2 . 2 28 28 TYR CA C 13 54.93012051 0 . . . . . . . 28 TYR CA . 52243 2 122 . 2 . 2 28 28 TYR CB C 13 38.1208868 0 . . . . . . . 28 TYR CB . 52243 2 123 . 2 . 2 28 28 TYR N N 15 114.2872758 0.03247174084 . . . . . . . 28 TYR N . 52243 2 124 . 2 . 2 29 29 ILE H H 1 8.766555996 0.001996065576 . . . . . . . 29 ILE H . 52243 2 125 . 2 . 2 29 29 ILE C C 13 176.3735711 0 . . . . . . . 29 ILE C . 52243 2 126 . 2 . 2 29 29 ILE CA C 13 61.64243672 0 . . . . . . . 29 ILE CA . 52243 2 127 . 2 . 2 29 29 ILE CB C 13 35.27388373 0 . . . . . . . 29 ILE CB . 52243 2 128 . 2 . 2 29 29 ILE N N 15 122.4680891 0.02289871514 . . . . . . . 29 ILE N . 52243 2 129 . 2 . 2 30 30 PHE H H 1 8.340632091 0.00206873876 . . . . . . . 30 PHE H . 52243 2 130 . 2 . 2 30 30 PHE C C 13 176.3833726 0 . . . . . . . 30 PHE C . 52243 2 131 . 2 . 2 30 30 PHE CA C 13 59.79695048 0 . . . . . . . 30 PHE CA . 52243 2 132 . 2 . 2 30 30 PHE CB C 13 39.70235483 0 . . . . . . . 30 PHE CB . 52243 2 133 . 2 . 2 30 30 PHE N N 15 132.6349307 0.0274505987 . . . . . . . 30 PHE N . 52243 2 134 . 2 . 2 31 31 THR H H 1 7.358488139 0.004843223919 . . . . . . . 31 THR H . 52243 2 135 . 2 . 2 31 31 THR C C 13 174.0490653 0 . . . . . . . 31 THR C . 52243 2 136 . 2 . 2 31 31 THR CA C 13 62.01768878 0 . . . . . . . 31 THR CA . 52243 2 137 . 2 . 2 31 31 THR CB C 13 67.51427377 0 . . . . . . . 31 THR CB . 52243 2 138 . 2 . 2 31 31 THR N N 15 101.4135336 0.03719382447 . . . . . . . 31 THR N . 52243 2 139 . 2 . 2 32 32 ASN H H 1 7.883540842 0.001638857353 . . . . . . . 32 ASN H . 52243 2 140 . 2 . 2 32 32 ASN C C 13 174.5399024 0 . . . . . . . 32 ASN C . 52243 2 141 . 2 . 2 32 32 ASN CA C 13 52.51127729 0 . . . . . . . 32 ASN CA . 52243 2 142 . 2 . 2 32 32 ASN CB C 13 38.60135799 0 . . . . . . . 32 ASN CB . 52243 2 143 . 2 . 2 32 32 ASN N N 15 117.9464489 0.01489861749 . . . . . . . 32 ASN N . 52243 2 144 . 2 . 2 33 33 TYR H H 1 7.039216568 0.006631974216 . . . . . . . 33 TYR H . 52243 2 145 . 2 . 2 33 33 TYR C C 13 174.6987654 0 . . . . . . . 33 TYR C . 52243 2 146 . 2 . 2 33 33 TYR CA C 13 56.38501047 0 . . . . . . . 33 TYR CA . 52243 2 147 . 2 . 2 33 33 TYR CB C 13 43.04289355 0 . . . . . . . 33 TYR CB . 52243 2 148 . 2 . 2 33 33 TYR N N 15 115.1469218 0.03831294797 . . . . . . . 33 TYR N . 52243 2 149 . 2 . 2 35 35 ILE C C 13 175.2163331 0 . . . . . . . 35 ILE C . 52243 2 150 . 2 . 2 35 35 ILE CA C 13 57.8420361 0 . . . . . . . 35 ILE CA . 52243 2 151 . 2 . 2 36 36 HIS H H 1 9.343229505 0.003709628809 . . . . . . . 36 HIS H . 52243 2 152 . 2 . 2 36 36 HIS C C 13 175.3189234 0 . . . . . . . 36 HIS C . 52243 2 153 . 2 . 2 36 36 HIS CA C 13 53.93937514 0 . . . . . . . 36 HIS CA . 52243 2 154 . 2 . 2 36 36 HIS CB C 13 33.72892451 0 . . . . . . . 36 HIS CB . 52243 2 155 . 2 . 2 36 36 HIS N N 15 126.3666002 0.01792833038 . . . . . . . 36 HIS N . 52243 2 156 . 2 . 2 37 37 TRP H H 1 8.227236572 0.001984985578 . . . . . . . 37 TRP H . 52243 2 157 . 2 . 2 37 37 TRP C C 13 175.0783975 0 . . . . . . . 37 TRP C . 52243 2 158 . 2 . 2 37 37 TRP CA C 13 55.11740108 0 . . . . . . . 37 TRP CA . 52243 2 159 . 2 . 2 37 37 TRP CB C 13 30.96150077 0 . . . . . . . 37 TRP CB . 52243 2 160 . 2 . 2 37 37 TRP N N 15 118.7753904 0.01607243778 . . . . . . . 37 TRP N . 52243 2 161 . 2 . 2 38 38 VAL H H 1 9.118530497 0.001545458016 . . . . . . . 38 VAL H . 52243 2 162 . 2 . 2 38 38 VAL C C 13 173.7282357 0 . . . . . . . 38 VAL C . 52243 2 163 . 2 . 2 38 38 VAL CA C 13 60.1262899 0 . . . . . . . 38 VAL CA . 52243 2 164 . 2 . 2 38 38 VAL CB C 13 36.64552591 0 . . . . . . . 38 VAL CB . 52243 2 165 . 2 . 2 38 38 VAL N N 15 122.928552 0.0123466674 . . . . . . . 38 VAL N . 52243 2 166 . 2 . 2 39 39 LYS H H 1 9.415018248 0.002037235276 . . . . . . . 39 LYS H . 52243 2 167 . 2 . 2 39 39 LYS C C 13 173.8863454 0 . . . . . . . 39 LYS C . 52243 2 168 . 2 . 2 39 39 LYS CA C 13 54.61605841 0 . . . . . . . 39 LYS CA . 52243 2 169 . 2 . 2 39 39 LYS CB C 13 35.65995942 0 . . . . . . . 39 LYS CB . 52243 2 170 . 2 . 2 39 39 LYS N N 15 129.6581451 0.00596611579 . . . . . . . 39 LYS N . 52243 2 171 . 2 . 2 40 40 LYS H H 1 9.26513529 0.001172612846 . . . . . . . 40 LYS H . 52243 2 172 . 2 . 2 40 40 LYS C C 13 175.1364502 0 . . . . . . . 40 LYS C . 52243 2 173 . 2 . 2 40 40 LYS CA C 13 54.61806327 0 . . . . . . . 40 LYS CA . 52243 2 174 . 2 . 2 40 40 LYS CB C 13 34.64802736 0 . . . . . . . 40 LYS CB . 52243 2 175 . 2 . 2 40 40 LYS N N 15 128.9831018 0.01077495614 . . . . . . . 40 LYS N . 52243 2 176 . 2 . 2 41 41 SER H H 1 8.580800854 0.001830368865 . . . . . . . 41 SER H . 52243 2 177 . 2 . 2 41 41 SER C C 13 172.713411 0 . . . . . . . 41 SER C . 52243 2 178 . 2 . 2 41 41 SER CA C 13 56.37770281 0 . . . . . . . 41 SER CA . 52243 2 179 . 2 . 2 41 41 SER CB C 13 64.30747117 0 . . . . . . . 41 SER CB . 52243 2 180 . 2 . 2 41 41 SER N N 15 124.6226919 0.01984188184 . . . . . . . 41 SER N . 52243 2 181 . 2 . 2 42 42 PRO C C 13 178.6918017 0 . . . . . . . 42 PRO C . 52243 2 182 . 2 . 2 42 42 PRO CA C 13 64.1695521 0 . . . . . . . 42 PRO CA . 52243 2 183 . 2 . 2 42 42 PRO CB C 13 30.86695793 0 . . . . . . . 42 PRO CB . 52243 2 184 . 2 . 2 43 43 GLY H H 1 8.504730379 0.002070592721 . . . . . . . 43 GLY H . 52243 2 185 . 2 . 2 43 43 GLY C C 13 174.5941697 0 . . . . . . . 43 GLY C . 52243 2 186 . 2 . 2 43 43 GLY CA C 13 45.95610911 0 . . . . . . . 43 GLY CA . 52243 2 187 . 2 . 2 43 43 GLY N N 15 107.457489 0.0518007892 . . . . . . . 43 GLY N . 52243 2 188 . 2 . 2 44 44 GLN H H 1 7.636535648 0.003531491713 . . . . . . . 44 GLN H . 52243 2 189 . 2 . 2 44 44 GLN C C 13 175.1304267 0 . . . . . . . 44 GLN C . 52243 2 190 . 2 . 2 44 44 GLN CA C 13 55.50981864 0 . . . . . . . 44 GLN CA . 52243 2 191 . 2 . 2 44 44 GLN CB C 13 30.02564013 0 . . . . . . . 44 GLN CB . 52243 2 192 . 2 . 2 44 44 GLN N N 15 119.8122114 0.0215376537 . . . . . . . 44 GLN N . 52243 2 193 . 2 . 2 45 45 GLY H H 1 7.984636834 0.002710902182 . . . . . . . 45 GLY H . 52243 2 194 . 2 . 2 45 45 GLY C C 13 173.7655511 0 . . . . . . . 45 GLY C . 52243 2 195 . 2 . 2 45 45 GLY CA C 13 46.17204516 0 . . . . . . . 45 GLY CA . 52243 2 196 . 2 . 2 45 45 GLY N N 15 110.4396041 0.02109213387 . . . . . . . 45 GLY N . 52243 2 197 . 2 . 2 46 46 LEU H H 1 7.054109143 0.001971844024 . . . . . . . 46 LEU H . 52243 2 198 . 2 . 2 46 46 LEU C C 13 176.2246635 0 . . . . . . . 46 LEU C . 52243 2 199 . 2 . 2 46 46 LEU CA C 13 53.0629367 0 . . . . . . . 46 LEU CA . 52243 2 200 . 2 . 2 46 46 LEU CB C 13 41.84944831 0 . . . . . . . 46 LEU CB . 52243 2 201 . 2 . 2 46 46 LEU N N 15 125.4296778 0.04080034006 . . . . . . . 46 LEU N . 52243 2 202 . 2 . 2 47 47 GLU H H 1 8.910864424 0.003053031135 . . . . . . . 47 GLU H . 52243 2 203 . 2 . 2 47 47 GLU C C 13 174.8619066 0 . . . . . . . 47 GLU C . 52243 2 204 . 2 . 2 47 47 GLU CA C 13 54.55499956 0 . . . . . . . 47 GLU CA . 52243 2 205 . 2 . 2 47 47 GLU CB C 13 34.70648824 0 . . . . . . . 47 GLU CB . 52243 2 206 . 2 . 2 47 47 GLU N N 15 118.9852886 0.04402861248 . . . . . . . 47 GLU N . 52243 2 207 . 2 . 2 48 48 TRP H H 1 9.23610493 0.003406506163 . . . . . . . 48 TRP H . 52243 2 208 . 2 . 2 48 48 TRP C C 13 175.1233408 0 . . . . . . . 48 TRP C . 52243 2 209 . 2 . 2 48 48 TRP CA C 13 59.58501195 0 . . . . . . . 48 TRP CA . 52243 2 210 . 2 . 2 48 48 TRP CB C 13 28.75308797 0 . . . . . . . 48 TRP CB . 52243 2 211 . 2 . 2 48 48 TRP N N 15 127.1063707 0.02212452546 . . . . . . . 48 TRP N . 52243 2 212 . 2 . 2 49 49 ILE H H 1 8.432189895 0.004483972954 . . . . . . . 49 ILE H . 52243 2 213 . 2 . 2 49 49 ILE CA C 13 62.9500628 0 . . . . . . . 49 ILE CA . 52243 2 214 . 2 . 2 49 49 ILE CB C 13 37.95326067 0 . . . . . . . 49 ILE CB . 52243 2 215 . 2 . 2 49 49 ILE N N 15 130.1958709 0.009117107312 . . . . . . . 49 ILE N . 52243 2 216 . 2 . 2 50 50 GLY C C 13 169.1933831 0 . . . . . . . 50 GLY C . 52243 2 217 . 2 . 2 50 50 GLY CA C 13 44.35966108 0 . . . . . . . 50 GLY CA . 52243 2 218 . 2 . 2 51 51 ALA H H 1 7.833869627 0.001639619129 . . . . . . . 51 ALA H . 52243 2 219 . 2 . 2 51 51 ALA C C 13 173.7669502 0 . . . . . . . 51 ALA C . 52243 2 220 . 2 . 2 51 51 ALA CA C 13 49.56640956 0 . . . . . . . 51 ALA CA . 52243 2 221 . 2 . 2 51 51 ALA CB C 13 21.71794124 0 . . . . . . . 51 ALA CB . 52243 2 222 . 2 . 2 51 51 ALA N N 15 119.6999486 0.01240215796 . . . . . . . 51 ALA N . 52243 2 223 . 2 . 2 52 52 ILE H H 1 8.390784554 0.003220030763 . . . . . . . 52 ILE H . 52243 2 224 . 2 . 2 52 52 ILE C C 13 173.0111717 0 . . . . . . . 52 ILE C . 52243 2 225 . 2 . 2 52 52 ILE CA C 13 56.83041232 0 . . . . . . . 52 ILE CA . 52243 2 226 . 2 . 2 52 52 ILE CB C 13 40.87283089 0 . . . . . . . 52 ILE CB . 52243 2 227 . 2 . 2 52 52 ILE N N 15 112.8750445 0.01651414362 . . . . . . . 52 ILE N . 52243 2 228 . 2 . 2 53 53 TYR H H 1 8.551316091 0.002365157332 . . . . . . . 53 TYR H . 52243 2 229 . 2 . 2 53 53 TYR C C 13 175.2780875 0 . . . . . . . 53 TYR C . 52243 2 230 . 2 . 2 53 53 TYR CA C 13 52.3516326 0 . . . . . . . 53 TYR CA . 52243 2 231 . 2 . 2 53 53 TYR CB C 13 36.68313364 0 . . . . . . . 53 TYR CB . 52243 2 232 . 2 . 2 53 53 TYR N N 15 128.5580834 0.02165215296 . . . . . . . 53 TYR N . 52243 2 233 . 2 . 2 55 55 GLY C C 13 173.7602649 0 . . . . . . . 55 GLY C . 52243 2 234 . 2 . 2 55 55 GLY CA C 13 46.3573504 0 . . . . . . . 55 GLY CA . 52243 2 235 . 2 . 2 56 56 ASN H H 1 7.027904783 0.004014878356 . . . . . . . 56 ASN H . 52243 2 236 . 2 . 2 56 56 ASN C C 13 176.2534731 0 . . . . . . . 56 ASN C . 52243 2 237 . 2 . 2 56 56 ASN CA C 13 52.38884706 0 . . . . . . . 56 ASN CA . 52243 2 238 . 2 . 2 56 56 ASN CB C 13 39.22250525 0 . . . . . . . 56 ASN CB . 52243 2 239 . 2 . 2 56 56 ASN N N 15 114.8285775 0.02328109983 . . . . . . . 56 ASN N . 52243 2 240 . 2 . 2 57 57 GLY H H 1 8.529032449 0.00258620948 . . . . . . . 57 GLY H . 52243 2 241 . 2 . 2 57 57 GLY C C 13 173.847834 0 . . . . . . . 57 GLY C . 52243 2 242 . 2 . 2 57 57 GLY CA C 13 45.25952967 0 . . . . . . . 57 GLY CA . 52243 2 243 . 2 . 2 57 57 GLY N N 15 109.8806961 0.03539513354 . . . . . . . 57 GLY N . 52243 2 244 . 2 . 2 58 58 ASP H H 1 8.342305439 0.001635192652 . . . . . . . 58 ASP H . 52243 2 245 . 2 . 2 58 58 ASP C C 13 175.3994986 0 . . . . . . . 58 ASP C . 52243 2 246 . 2 . 2 58 58 ASP CA C 13 55.44284036 0 . . . . . . . 58 ASP CA . 52243 2 247 . 2 . 2 58 58 ASP CB C 13 40.76798938 0 . . . . . . . 58 ASP CB . 52243 2 248 . 2 . 2 58 58 ASP N N 15 122.9181305 0.02066015119 . . . . . . . 58 ASP N . 52243 2 249 . 2 . 2 59 59 ALA H H 1 7.89016048 0.003669661862 . . . . . . . 59 ALA H . 52243 2 250 . 2 . 2 59 59 ALA C C 13 173.7446694 0 . . . . . . . 59 ALA C . 52243 2 251 . 2 . 2 59 59 ALA CA C 13 49.38306212 0 . . . . . . . 59 ALA CA . 52243 2 252 . 2 . 2 59 59 ALA CB C 13 19.45672539 0 . . . . . . . 59 ALA CB . 52243 2 253 . 2 . 2 59 59 ALA N N 15 125.6234455 0.02255780225 . . . . . . . 59 ALA N . 52243 2 254 . 2 . 2 60 60 PRO C C 13 174.2931412 0 . . . . . . . 60 PRO C . 52243 2 255 . 2 . 2 60 60 PRO CA C 13 61.90628095 0 . . . . . . . 60 PRO CA . 52243 2 256 . 2 . 2 60 60 PRO CB C 13 32.24776727 0 . . . . . . . 60 PRO CB . 52243 2 257 . 2 . 2 61 61 TYR H H 1 7.739925664 0.001480253132 . . . . . . . 61 TYR H . 52243 2 258 . 2 . 2 61 61 TYR C C 13 177.3409652 0 . . . . . . . 61 TYR C . 52243 2 259 . 2 . 2 61 61 TYR CA C 13 56.13199253 0 . . . . . . . 61 TYR CA . 52243 2 260 . 2 . 2 61 61 TYR CB C 13 41.81314469 0 . . . . . . . 61 TYR CB . 52243 2 261 . 2 . 2 61 61 TYR N N 15 114.2231849 0.01324303693 . . . . . . . 61 TYR N . 52243 2 262 . 2 . 2 62 62 SER H H 1 8.344801483 0.00282731916 . . . . . . . 62 SER H . 52243 2 263 . 2 . 2 62 62 SER C C 13 177.1259991 0 . . . . . . . 62 SER C . 52243 2 264 . 2 . 2 62 62 SER CA C 13 57.30643587 0 . . . . . . . 62 SER CA . 52243 2 265 . 2 . 2 62 62 SER CB C 13 64.48177153 0 . . . . . . . 62 SER CB . 52243 2 266 . 2 . 2 62 62 SER N N 15 116.8739058 0.01000592139 . . . . . . . 62 SER N . 52243 2 267 . 2 . 2 63 63 GLN H H 1 9.775266398 0.006965488222 . . . . . . . 63 GLN H . 52243 2 268 . 2 . 2 63 63 GLN C C 13 178.629773 0 . . . . . . . 63 GLN C . 52243 2 269 . 2 . 2 63 63 GLN CA C 13 59.11723438 0 . . . . . . . 63 GLN CA . 52243 2 270 . 2 . 2 63 63 GLN CB C 13 27.789615 0 . . . . . . . 63 GLN CB . 52243 2 271 . 2 . 2 63 63 GLN N N 15 126.7836422 0.03301086832 . . . . . . . 63 GLN N . 52243 2 272 . 2 . 2 64 64 LYS H H 1 8.322889902 0.002024043438 . . . . . . . 64 LYS H . 52243 2 273 . 2 . 2 64 64 LYS C C 13 177.0369491 0 . . . . . . . 64 LYS C . 52243 2 274 . 2 . 2 64 64 LYS CA C 13 58.08680529 0 . . . . . . . 64 LYS CA . 52243 2 275 . 2 . 2 64 64 LYS CB C 13 31.80329546 0 . . . . . . . 64 LYS CB . 52243 2 276 . 2 . 2 64 64 LYS N N 15 116.9756614 0.03979881516 . . . . . . . 64 LYS N . 52243 2 277 . 2 . 2 65 65 PHE H H 1 7.622908476 0.005151404463 . . . . . . . 65 PHE H . 52243 2 278 . 2 . 2 65 65 PHE C C 13 175.5234783 0 . . . . . . . 65 PHE C . 52243 2 279 . 2 . 2 65 65 PHE CA C 13 58.58844079 0 . . . . . . . 65 PHE CA . 52243 2 280 . 2 . 2 65 65 PHE CB C 13 40.00852982 0 . . . . . . . 65 PHE CB . 52243 2 281 . 2 . 2 65 65 PHE N N 15 113.70086 0.01652944266 . . . . . . . 65 PHE N . 52243 2 282 . 2 . 2 66 66 GLN H H 1 7.514143471 0.002865150796 . . . . . . . 66 GLN H . 52243 2 283 . 2 . 2 66 66 GLN C C 13 177.0706207 0 . . . . . . . 66 GLN C . 52243 2 284 . 2 . 2 66 66 GLN CA C 13 57.47203197 0 . . . . . . . 66 GLN CA . 52243 2 285 . 2 . 2 66 66 GLN CB C 13 27.06557665 0 . . . . . . . 66 GLN CB . 52243 2 286 . 2 . 2 66 66 GLN N N 15 124.4907742 0.03781182485 . . . . . . . 66 GLN N . 52243 2 287 . 2 . 2 67 67 GLY H H 1 9.036146265 0.003019905997 . . . . . . . 67 GLY H . 52243 2 288 . 2 . 2 67 67 GLY C C 13 173.0529849 0 . . . . . . . 67 GLY C . 52243 2 289 . 2 . 2 67 67 GLY CA C 13 45.32007011 0 . . . . . . . 67 GLY CA . 52243 2 290 . 2 . 2 67 67 GLY N N 15 117.2339038 0.03951924051 . . . . . . . 67 GLY N . 52243 2 291 . 2 . 2 68 68 LYS H H 1 7.582500087 0.001330855864 . . . . . . . 68 LYS H . 52243 2 292 . 2 . 2 68 68 LYS C C 13 174.6021765 0 . . . . . . . 68 LYS C . 52243 2 293 . 2 . 2 68 68 LYS CA C 13 55.55834443 0 . . . . . . . 68 LYS CA . 52243 2 294 . 2 . 2 68 68 LYS CB C 13 33.20044054 0 . . . . . . . 68 LYS CB . 52243 2 295 . 2 . 2 68 68 LYS N N 15 122.1359026 0.04409808747 . . . . . . . 68 LYS N . 52243 2 296 . 2 . 2 69 69 ALA H H 1 7.604282976 0.003400226287 . . . . . . . 69 ALA H . 52243 2 297 . 2 . 2 69 69 ALA C C 13 175.6471759 0 . . . . . . . 69 ALA C . 52243 2 298 . 2 . 2 69 69 ALA CA C 13 49.03410021 0 . . . . . . . 69 ALA CA . 52243 2 299 . 2 . 2 69 69 ALA CB C 13 21.34758423 0 . . . . . . . 69 ALA CB . 52243 2 300 . 2 . 2 69 69 ALA N N 15 119.7702489 0.02136603757 . . . . . . . 69 ALA N . 52243 2 301 . 2 . 2 70 70 THR H H 1 8.627789013 0.002160145894 . . . . . . . 70 THR H . 52243 2 302 . 2 . 2 70 70 THR C C 13 174.2051877 0 . . . . . . . 70 THR C . 52243 2 303 . 2 . 2 70 70 THR CA C 13 61.68829612 0 . . . . . . . 70 THR CA . 52243 2 304 . 2 . 2 70 70 THR CB C 13 70.73524249 0 . . . . . . . 70 THR CB . 52243 2 305 . 2 . 2 70 70 THR N N 15 115.0084895 0.0449541265 . . . . . . . 70 THR N . 52243 2 306 . 2 . 2 71 71 LEU H H 1 8.789433282 0.00208115112 . . . . . . . 71 LEU H . 52243 2 307 . 2 . 2 71 71 LEU C C 13 175.509429 0 . . . . . . . 71 LEU C . 52243 2 308 . 2 . 2 71 71 LEU CA C 13 52.91552098 0 . . . . . . . 71 LEU CA . 52243 2 309 . 2 . 2 71 71 LEU CB C 13 41.0923524 0 . . . . . . . 71 LEU CB . 52243 2 310 . 2 . 2 71 71 LEU N N 15 131.4152659 0.01708280565 . . . . . . . 71 LEU N . 52243 2 311 . 2 . 2 72 72 THR H H 1 8.46398066 0.003643038097 . . . . . . . 72 THR H . 52243 2 312 . 2 . 2 72 72 THR C C 13 173.842561 0 . . . . . . . 72 THR C . 52243 2 313 . 2 . 2 72 72 THR CA C 13 59.86694591 0 . . . . . . . 72 THR CA . 52243 2 314 . 2 . 2 72 72 THR CB C 13 73.61918988 0 . . . . . . . 72 THR CB . 52243 2 315 . 2 . 2 72 72 THR N N 15 111.653986 0.03267460962 . . . . . . . 72 THR N . 52243 2 316 . 2 . 2 73 73 ALA H H 1 8.976914944 0.001869045575 . . . . . . . 73 ALA H . 52243 2 317 . 2 . 2 73 73 ALA C C 13 175.0396289 0 . . . . . . . 73 ALA C . 52243 2 318 . 2 . 2 73 73 ALA CA C 13 51.05836722 0 . . . . . . . 73 ALA CA . 52243 2 319 . 2 . 2 73 73 ALA CB C 13 21.54313425 0 . . . . . . . 73 ALA CB . 52243 2 320 . 2 . 2 73 73 ALA N N 15 121.8248986 0.0421080586 . . . . . . . 73 ALA N . 52243 2 321 . 2 . 2 74 74 ASP H H 1 9.139902218 0.002774319958 . . . . . . . 74 ASP H . 52243 2 322 . 2 . 2 74 74 ASP C C 13 177.2295642 0 . . . . . . . 74 ASP C . 52243 2 323 . 2 . 2 74 74 ASP CA C 13 52.11001286 0 . . . . . . . 74 ASP CA . 52243 2 324 . 2 . 2 74 74 ASP CB C 13 42.00943617 0 . . . . . . . 74 ASP CB . 52243 2 325 . 2 . 2 74 74 ASP N N 15 121.3270491 0.0270071271 . . . . . . . 74 ASP N . 52243 2 326 . 2 . 2 75 75 THR H H 1 9.069127424 0.001788393479 . . . . . . . 75 THR H . 52243 2 327 . 2 . 2 75 75 THR C C 13 177.0434361 0 . . . . . . . 75 THR C . 52243 2 328 . 2 . 2 75 75 THR CA C 13 64.35438671 0 . . . . . . . 75 THR CA . 52243 2 329 . 2 . 2 75 75 THR CB C 13 67.81779192 0 . . . . . . . 75 THR CB . 52243 2 330 . 2 . 2 75 75 THR N N 15 117.368438 0.0196509768 . . . . . . . 75 THR N . 52243 2 331 . 2 . 2 76 76 SER H H 1 8.636398032 0.003751966735 . . . . . . . 76 SER H . 52243 2 332 . 2 . 2 76 76 SER C C 13 175.8900397 0 . . . . . . . 76 SER C . 52243 2 333 . 2 . 2 76 76 SER CA C 13 61.1208792 0 . . . . . . . 76 SER CA . 52243 2 334 . 2 . 2 76 76 SER CB C 13 62.47378985 0 . . . . . . . 76 SER CB . 52243 2 335 . 2 . 2 76 76 SER N N 15 119.5382574 0.06520447697 . . . . . . . 76 SER N . 52243 2 336 . 2 . 2 77 77 THR H H 1 6.896674013 0.005237250064 . . . . . . . 77 THR H . 52243 2 337 . 2 . 2 77 77 THR C C 13 175.4283125 0 . . . . . . . 77 THR C . 52243 2 338 . 2 . 2 77 77 THR CA C 13 60.27548209 0 . . . . . . . 77 THR CA . 52243 2 339 . 2 . 2 77 77 THR CB C 13 69.74975823 0 . . . . . . . 77 THR CB . 52243 2 340 . 2 . 2 77 77 THR N N 15 108.5904052 0.02782930777 . . . . . . . 77 THR N . 52243 2 341 . 2 . 2 78 78 SER H H 1 7.229508875 0.0044144004 . . . . . . . 78 SER H . 52243 2 342 . 2 . 2 78 78 SER C C 13 171.9177809 0 . . . . . . . 78 SER C . 52243 2 343 . 2 . 2 78 78 SER CA C 13 57.34224327 0 . . . . . . . 78 SER CA . 52243 2 344 . 2 . 2 78 78 SER CB C 13 61.66882911 0 . . . . . . . 78 SER CB . 52243 2 345 . 2 . 2 78 78 SER N N 15 117.6404952 0.02742548086 . . . . . . . 78 SER N . 52243 2 346 . 2 . 2 79 79 THR H H 1 7.212867452 0.006315056944 . . . . . . . 79 THR H . 52243 2 347 . 2 . 2 79 79 THR C C 13 172.8967761 0 . . . . . . . 79 THR C . 52243 2 348 . 2 . 2 79 79 THR CA C 13 60.90837348 0 . . . . . . . 79 THR CA . 52243 2 349 . 2 . 2 79 79 THR CB C 13 70.6977405 0 . . . . . . . 79 THR CB . 52243 2 350 . 2 . 2 79 79 THR N N 15 112.3428588 0.02200047095 . . . . . . . 79 THR N . 52243 2 351 . 2 . 2 80 80 THR H H 1 8.523827553 0.002312546898 . . . . . . . 80 THR H . 52243 2 352 . 2 . 2 80 80 THR C C 13 171.866162 0 . . . . . . . 80 THR C . 52243 2 353 . 2 . 2 80 80 THR CA C 13 59.87706905 0 . . . . . . . 80 THR CA . 52243 2 354 . 2 . 2 80 80 THR CB C 13 71.37775158 0 . . . . . . . 80 THR CB . 52243 2 355 . 2 . 2 80 80 THR N N 15 118.363142 0.01015308972 . . . . . . . 80 THR N . 52243 2 356 . 2 . 2 81 81 TYR H H 1 8.875880646 0.00239160577 . . . . . . . 81 TYR H . 52243 2 357 . 2 . 2 81 81 TYR C C 13 174.3145364 0 . . . . . . . 81 TYR C . 52243 2 358 . 2 . 2 81 81 TYR CA C 13 55.6840984 0 . . . . . . . 81 TYR CA . 52243 2 359 . 2 . 2 81 81 TYR CB C 13 41.05198245 0 . . . . . . . 81 TYR CB . 52243 2 360 . 2 . 2 81 81 TYR N N 15 120.0676353 0.02770711529 . . . . . . . 81 TYR N . 52243 2 361 . 2 . 2 82 82 MET C C 13 173.6306868 0 . . . . . . . 82 MET C . 52243 2 362 . 2 . 2 82 82 MET CA C 13 53.53963912 0 . . . . . . . 82 MET CA . 52243 2 363 . 2 . 2 83 83 GLU H H 1 8.622883794 0.0006684582545 . . . . . . . 83 GLU H . 52243 2 364 . 2 . 2 83 83 GLU C C 13 175.9103237 0 . . . . . . . 83 GLU C . 52243 2 365 . 2 . 2 83 83 GLU CA C 13 53.12706593 0 . . . . . . . 83 GLU CA . 52243 2 366 . 2 . 2 83 83 GLU CB C 13 31.37428122 0 . . . . . . . 83 GLU CB . 52243 2 367 . 2 . 2 83 83 GLU N N 15 128.6062955 0.02211429835 . . . . . . . 83 GLU N . 52243 2 368 . 2 . 2 84 84 LEU H H 1 8.618964184 0.0041477987 . . . . . . . 84 LEU H . 52243 2 369 . 2 . 2 84 84 LEU C C 13 175.3913543 0 . . . . . . . 84 LEU C . 52243 2 370 . 2 . 2 84 84 LEU CA C 13 52.82946196 0 . . . . . . . 84 LEU CA . 52243 2 371 . 2 . 2 84 84 LEU CB C 13 44.32186432 0 . . . . . . . 84 LEU CB . 52243 2 372 . 2 . 2 84 84 LEU N N 15 127.6097701 0.04810897619 . . . . . . . 84 LEU N . 52243 2 373 . 2 . 2 85 85 SER H H 1 7.965007868 0.004794949294 . . . . . . . 85 SER H . 52243 2 374 . 2 . 2 85 85 SER C C 13 173.0131318 0 . . . . . . . 85 SER C . 52243 2 375 . 2 . 2 85 85 SER CA C 13 56.41701995 0 . . . . . . . 85 SER CA . 52243 2 376 . 2 . 2 85 85 SER CB C 13 65.26685839 0 . . . . . . . 85 SER CB . 52243 2 377 . 2 . 2 85 85 SER N N 15 116.4515079 0.04122489546 . . . . . . . 85 SER N . 52243 2 378 . 2 . 2 86 86 SER H H 1 8.483494019 0.001602542225 . . . . . . . 86 SER H . 52243 2 379 . 2 . 2 86 86 SER C C 13 174.9992581 0 . . . . . . . 86 SER C . 52243 2 380 . 2 . 2 86 86 SER CA C 13 56.9636251 0 . . . . . . . 86 SER CA . 52243 2 381 . 2 . 2 86 86 SER CB C 13 61.36643307 0 . . . . . . . 86 SER CB . 52243 2 382 . 2 . 2 86 86 SER N N 15 115.3692295 0.0348694217 . . . . . . . 86 SER N . 52243 2 383 . 2 . 2 87 87 LEU H H 1 8.281712092 0.00404529304 . . . . . . . 87 LEU H . 52243 2 384 . 2 . 2 87 87 LEU C C 13 177.9383235 0 . . . . . . . 87 LEU C . 52243 2 385 . 2 . 2 87 87 LEU CA C 13 55.5704752 0 . . . . . . . 87 LEU CA . 52243 2 386 . 2 . 2 87 87 LEU CB C 13 41.46154962 0 . . . . . . . 87 LEU CB . 52243 2 387 . 2 . 2 87 87 LEU N N 15 118.520388 0.03823441549 . . . . . . . 87 LEU N . 52243 2 388 . 2 . 2 88 88 ARG H H 1 9.668681306 0.003490336881 . . . . . . . 88 ARG H . 52243 2 389 . 2 . 2 88 88 ARG C C 13 177.3771804 0 . . . . . . . 88 ARG C . 52243 2 390 . 2 . 2 88 88 ARG CA C 13 53.25837481 0 . . . . . . . 88 ARG CA . 52243 2 391 . 2 . 2 88 88 ARG CB C 13 33.41151687 0 . . . . . . . 88 ARG CB . 52243 2 392 . 2 . 2 88 88 ARG N N 15 121.7501898 0.03218633601 . . . . . . . 88 ARG N . 52243 2 393 . 2 . 2 89 89 SER H H 1 8.948600456 0.001841693096 . . . . . . . 89 SER H . 52243 2 394 . 2 . 2 89 89 SER C C 13 177.3693321 0 . . . . . . . 89 SER C . 52243 2 395 . 2 . 2 89 89 SER CA C 13 62.62585528 0 . . . . . . . 89 SER CA . 52243 2 396 . 2 . 2 89 89 SER CB C 13 62.14709089 0 . . . . . . . 89 SER CB . 52243 2 397 . 2 . 2 89 89 SER N N 15 118.3801155 0.03171327198 . . . . . . . 89 SER N . 52243 2 398 . 2 . 2 90 90 GLU H H 1 9.374596902 0.004271502228 . . . . . . . 90 GLU H . 52243 2 399 . 2 . 2 90 90 GLU C C 13 176.9341779 0 . . . . . . . 90 GLU C . 52243 2 400 . 2 . 2 90 90 GLU CA C 13 58.61641508 0 . . . . . . . 90 GLU CA . 52243 2 401 . 2 . 2 90 90 GLU CB C 13 27.71968051 0 . . . . . . . 90 GLU CB . 52243 2 402 . 2 . 2 90 90 GLU N N 15 119.3615432 0.008820452861 . . . . . . . 90 GLU N . 52243 2 403 . 2 . 2 91 91 ASP H H 1 8.592245636 0.003399209072 . . . . . . . 91 ASP H . 52243 2 404 . 2 . 2 91 91 ASP C C 13 176.6500067 0 . . . . . . . 91 ASP C . 52243 2 405 . 2 . 2 91 91 ASP CA C 13 55.19615932 0 . . . . . . . 91 ASP CA . 52243 2 406 . 2 . 2 91 91 ASP CB C 13 41.28995506 0 . . . . . . . 91 ASP CB . 52243 2 407 . 2 . 2 91 91 ASP N N 15 119.4061339 0.01305450728 . . . . . . . 91 ASP N . 52243 2 408 . 2 . 2 92 92 THR H H 1 7.945131017 0.001165274763 . . . . . . . 92 THR H . 52243 2 409 . 2 . 2 92 92 THR C C 13 174.095082 0 . . . . . . . 92 THR C . 52243 2 410 . 2 . 2 92 92 THR CA C 13 63.37740879 0 . . . . . . . 92 THR CA . 52243 2 411 . 2 . 2 92 92 THR CB C 13 69.17614661 0 . . . . . . . 92 THR CB . 52243 2 412 . 2 . 2 92 92 THR N N 15 122.3964297 0.03276591456 . . . . . . . 92 THR N . 52243 2 413 . 2 . 2 93 93 ALA H H 1 8.831556509 0.00207358075 . . . . . . . 93 ALA H . 52243 2 414 . 2 . 2 93 93 ALA C C 13 174.0908587 0 . . . . . . . 93 ALA C . 52243 2 415 . 2 . 2 93 93 ALA CA C 13 51.49995653 0 . . . . . . . 93 ALA CA . 52243 2 416 . 2 . 2 93 93 ALA CB C 13 20.60254208 0 . . . . . . . 93 ALA CB . 52243 2 417 . 2 . 2 93 93 ALA N N 15 129.7492098 0.01460644644 . . . . . . . 93 ALA N . 52243 2 418 . 2 . 2 94 94 VAL H H 1 7.713029993 0.002280775942 . . . . . . . 94 VAL H . 52243 2 419 . 2 . 2 94 94 VAL C C 13 174.445069 0 . . . . . . . 94 VAL C . 52243 2 420 . 2 . 2 94 94 VAL CA C 13 61.2601949 0 . . . . . . . 94 VAL CA . 52243 2 421 . 2 . 2 94 94 VAL CB C 13 32.31048268 0 . . . . . . . 94 VAL CB . 52243 2 422 . 2 . 2 94 94 VAL N N 15 117.7885529 0.00907875209 . . . . . . . 94 VAL N . 52243 2 423 . 2 . 2 95 95 TYR H H 1 8.751464715 0.0006771814197 . . . . . . . 95 TYR H . 52243 2 424 . 2 . 2 95 95 TYR C C 13 176.6501517 0 . . . . . . . 95 TYR C . 52243 2 425 . 2 . 2 95 95 TYR CA C 13 56.38571695 0 . . . . . . . 95 TYR CA . 52243 2 426 . 2 . 2 95 95 TYR CB C 13 39.91982968 0 . . . . . . . 95 TYR CB . 52243 2 427 . 2 . 2 95 95 TYR N N 15 124.5205675 0.01004753623 . . . . . . . 95 TYR N . 52243 2 428 . 2 . 2 106 106 PHE C C 13 174.6790005 0 . . . . . . . 106 PHE C . 52243 2 429 . 2 . 2 106 106 PHE CA C 13 55.46162535 0 . . . . . . . 106 PHE CA . 52243 2 430 . 2 . 2 107 107 ALA H H 1 7.166197284 0.003421355831 . . . . . . . 107 ALA H . 52243 2 431 . 2 . 2 107 107 ALA C C 13 177.5234905 0 . . . . . . . 107 ALA C . 52243 2 432 . 2 . 2 107 107 ALA CA C 13 51.49991733 0 . . . . . . . 107 ALA CA . 52243 2 433 . 2 . 2 107 107 ALA CB C 13 18.70696624 0 . . . . . . . 107 ALA CB . 52243 2 434 . 2 . 2 107 107 ALA N N 15 122.0815951 0.04305277499 . . . . . . . 107 ALA N . 52243 2 435 . 2 . 2 108 108 TYR H H 1 7.995426497 0.003743110678 . . . . . . . 108 TYR H . 52243 2 436 . 2 . 2 108 108 TYR C C 13 175.002575 0 . . . . . . . 108 TYR C . 52243 2 437 . 2 . 2 108 108 TYR CA C 13 57.3061932 0 . . . . . . . 108 TYR CA . 52243 2 438 . 2 . 2 108 108 TYR CB C 13 41.0477552 0 . . . . . . . 108 TYR CB . 52243 2 439 . 2 . 2 108 108 TYR N N 15 122.6567504 0.02215687456 . . . . . . . 108 TYR N . 52243 2 440 . 2 . 2 111 111 GLN C C 13 177.4980778 0 . . . . . . . 111 GLN C . 52243 2 441 . 2 . 2 111 111 GLN CA C 13 56.45465069 0 . . . . . . . 111 GLN CA . 52243 2 442 . 2 . 2 112 112 GLY H H 1 7.337539183 0.002800688848 . . . . . . . 112 GLY H . 52243 2 443 . 2 . 2 112 112 GLY C C 13 172.5181384 0 . . . . . . . 112 GLY C . 52243 2 444 . 2 . 2 112 112 GLY CA C 13 44.18712008 0 . . . . . . . 112 GLY CA . 52243 2 445 . 2 . 2 112 112 GLY N N 15 109.4749698 0.03893447666 . . . . . . . 112 GLY N . 52243 2 446 . 2 . 2 113 113 THR H H 1 8.153964096 0.001751312684 . . . . . . . 113 THR H . 52243 2 447 . 2 . 2 113 113 THR C C 13 173.3708164 0 . . . . . . . 113 THR C . 52243 2 448 . 2 . 2 113 113 THR CA C 13 62.77810865 0 . . . . . . . 113 THR CA . 52243 2 449 . 2 . 2 113 113 THR CB C 13 72.60489508 0 . . . . . . . 113 THR CB . 52243 2 450 . 2 . 2 113 113 THR N N 15 120.1330824 0.009103191272 . . . . . . . 113 THR N . 52243 2 451 . 2 . 2 114 114 LEU H H 1 8.768375447 0.002134735729 . . . . . . . 114 LEU H . 52243 2 452 . 2 . 2 114 114 LEU C C 13 174.7295898 0 . . . . . . . 114 LEU C . 52243 2 453 . 2 . 2 114 114 LEU CA C 13 54.87700063 0 . . . . . . . 114 LEU CA . 52243 2 454 . 2 . 2 114 114 LEU CB C 13 41.47670781 0 . . . . . . . 114 LEU CB . 52243 2 455 . 2 . 2 114 114 LEU N N 15 131.7297844 0.02019359334 . . . . . . . 114 LEU N . 52243 2 456 . 2 . 2 115 115 VAL H H 1 8.81849074 0.001038537107 . . . . . . . 115 VAL H . 52243 2 457 . 2 . 2 115 115 VAL C C 13 174.3172931 0 . . . . . . . 115 VAL C . 52243 2 458 . 2 . 2 115 115 VAL CA C 13 60.89104386 0 . . . . . . . 115 VAL CA . 52243 2 459 . 2 . 2 115 115 VAL CB C 13 33.51062053 0 . . . . . . . 115 VAL CB . 52243 2 460 . 2 . 2 115 115 VAL N N 15 128.6837923 0.02478987769 . . . . . . . 115 VAL N . 52243 2 461 . 2 . 2 116 116 THR H H 1 8.490840008 0.004695836061 . . . . . . . 116 THR H . 52243 2 462 . 2 . 2 116 116 THR C C 13 173.1023191 0 . . . . . . . 116 THR C . 52243 2 463 . 2 . 2 116 116 THR CA C 13 61.86017271 0 . . . . . . . 116 THR CA . 52243 2 464 . 2 . 2 116 116 THR CB C 13 69.97724445 0 . . . . . . . 116 THR CB . 52243 2 465 . 2 . 2 116 116 THR N N 15 122.4080408 0.04318019089 . . . . . . . 116 THR N . 52243 2 466 . 2 . 2 117 117 VAL H H 1 8.206178981 0.002500905019 . . . . . . . 117 VAL H . 52243 2 467 . 2 . 2 117 117 VAL C C 13 175.8401385 0 . . . . . . . 117 VAL C . 52243 2 468 . 2 . 2 117 117 VAL CA C 13 60.09054342 0 . . . . . . . 117 VAL CA . 52243 2 469 . 2 . 2 117 117 VAL CB C 13 30.71257813 0 . . . . . . . 117 VAL CB . 52243 2 470 . 2 . 2 117 117 VAL N N 15 128.171953 0.01962279717 . . . . . . . 117 VAL N . 52243 2 471 . 2 . 2 118 118 SER H H 1 8.593750755 0.003262953516 . . . . . . . 118 SER H . 52243 2 472 . 2 . 2 118 118 SER C C 13 174.0053799 0 . . . . . . . 118 SER C . 52243 2 473 . 2 . 2 118 118 SER CA C 13 56.67864403 0 . . . . . . . 118 SER CA . 52243 2 474 . 2 . 2 118 118 SER CB C 13 63.53056923 0 . . . . . . . 118 SER CB . 52243 2 475 . 2 . 2 118 118 SER N N 15 120.6631107 0.02795175508 . . . . . . . 118 SER N . 52243 2 476 . 2 . 2 119 119 SER H H 1 8.596656521 0.002785865588 . . . . . . . 119 SER H . 52243 2 477 . 2 . 2 119 119 SER C C 13 173.734817 0 . . . . . . . 119 SER C . 52243 2 478 . 2 . 2 119 119 SER CA C 13 58.54588022 0 . . . . . . . 119 SER CA . 52243 2 479 . 2 . 2 119 119 SER CB C 13 63.0799787 0 . . . . . . . 119 SER CB . 52243 2 480 . 2 . 2 119 119 SER N N 15 122.7247478 0.01776097715 . . . . . . . 119 SER N . 52243 2 481 . 2 . 2 120 120 ALA H H 1 8.179208365 0.001210422362 . . . . . . . 120 ALA H . 52243 2 482 . 2 . 2 120 120 ALA C C 13 175.7230562 0 . . . . . . . 120 ALA C . 52243 2 483 . 2 . 2 120 120 ALA CA C 13 52.01211648 0 . . . . . . . 120 ALA CA . 52243 2 484 . 2 . 2 120 120 ALA CB C 13 17.79444916 0 . . . . . . . 120 ALA CB . 52243 2 485 . 2 . 2 120 120 ALA N N 15 126.3844085 0.04470492235 . . . . . . . 120 ALA N . 52243 2 486 . 2 . 2 121 121 SER H H 1 7.283500946 0.001768541586 . . . . . . . 121 SER H . 52243 2 487 . 2 . 2 121 121 SER C C 13 173.2828698 0 . . . . . . . 121 SER C . 52243 2 488 . 2 . 2 121 121 SER CA C 13 56.31559524 0 . . . . . . . 121 SER CA . 52243 2 489 . 2 . 2 121 121 SER CB C 13 64.63354637 0 . . . . . . . 121 SER CB . 52243 2 490 . 2 . 2 121 121 SER N N 15 113.2441698 0.02083825877 . . . . . . . 121 SER N . 52243 2 491 . 2 . 2 122 122 THR H H 1 8.11288052 0.001902403807 . . . . . . . 122 THR H . 52243 2 492 . 2 . 2 122 122 THR C C 13 174.8065901 0 . . . . . . . 122 THR C . 52243 2 493 . 2 . 2 122 122 THR CA C 13 64.27711224 0 . . . . . . . 122 THR CA . 52243 2 494 . 2 . 2 122 122 THR CB C 13 68.58721729 0 . . . . . . . 122 THR CB . 52243 2 495 . 2 . 2 122 122 THR N N 15 117.4692861 0.02544534639 . . . . . . . 122 THR N . 52243 2 496 . 2 . 2 123 123 LYS H H 1 9.52027313 0.002960038323 . . . . . . . 123 LYS H . 52243 2 497 . 2 . 2 123 123 LYS C C 13 175.1328791 0 . . . . . . . 123 LYS C . 52243 2 498 . 2 . 2 123 123 LYS CA C 13 56.09152985 0 . . . . . . . 123 LYS CA . 52243 2 499 . 2 . 2 123 123 LYS CB C 13 35.14176242 0 . . . . . . . 123 LYS CB . 52243 2 500 . 2 . 2 123 123 LYS N N 15 129.8035845 0.01417042315 . . . . . . . 123 LYS N . 52243 2 501 . 2 . 2 124 124 GLY H H 1 8.985506551 0.001126182676 . . . . . . . 124 GLY H . 52243 2 502 . 2 . 2 124 124 GLY C C 13 171.1034803 0 . . . . . . . 124 GLY C . 52243 2 503 . 2 . 2 124 124 GLY CA C 13 44.20134183 0 . . . . . . . 124 GLY CA . 52243 2 504 . 2 . 2 124 124 GLY N N 15 113.79881 0.008272880803 . . . . . . . 124 GLY N . 52243 2 505 . 2 . 2 125 125 PRO C C 13 177.3780473 0 . . . . . . . 125 PRO C . 52243 2 506 . 2 . 2 125 125 PRO CA C 13 61.79130772 0 . . . . . . . 125 PRO CA . 52243 2 507 . 2 . 2 125 125 PRO CB C 13 32.25127633 0 . . . . . . . 125 PRO CB . 52243 2 508 . 2 . 2 126 126 SER H H 1 8.449029428 0.003161008174 . . . . . . . 126 SER H . 52243 2 509 . 2 . 2 126 126 SER C C 13 171.946391 0 . . . . . . . 126 SER C . 52243 2 510 . 2 . 2 126 126 SER CA C 13 57.8524833 0 . . . . . . . 126 SER CA . 52243 2 511 . 2 . 2 126 126 SER CB C 13 64.45164147 0 . . . . . . . 126 SER CB . 52243 2 512 . 2 . 2 126 126 SER N N 15 116.1884544 0.03656186405 . . . . . . . 126 SER N . 52243 2 513 . 2 . 2 127 127 VAL H H 1 7.940053428 0.002403936786 . . . . . . . 127 VAL H . 52243 2 514 . 2 . 2 127 127 VAL C C 13 173.8113212 0 . . . . . . . 127 VAL C . 52243 2 515 . 2 . 2 127 127 VAL CA C 13 60.23960099 0 . . . . . . . 127 VAL CA . 52243 2 516 . 2 . 2 127 127 VAL CB C 13 32.32194169 0 . . . . . . . 127 VAL CB . 52243 2 517 . 2 . 2 127 127 VAL N N 15 123.6252057 0.03332374092 . . . . . . . 127 VAL N . 52243 2 518 . 2 . 2 128 128 PHE H H 1 9.159789098 0.001634817364 . . . . . . . 128 PHE H . 52243 2 519 . 2 . 2 128 128 PHE C C 13 173.2181404 0 . . . . . . . 128 PHE C . 52243 2 520 . 2 . 2 128 128 PHE CA C 13 52.42498497 0 . . . . . . . 128 PHE CA . 52243 2 521 . 2 . 2 128 128 PHE CB C 13 40.36554717 0 . . . . . . . 128 PHE CB . 52243 2 522 . 2 . 2 128 128 PHE N N 15 125.5730897 0.02515560975 . . . . . . . 128 PHE N . 52243 2 523 . 2 . 2 129 129 PRO C C 13 176.2505857 0 . . . . . . . 129 PRO C . 52243 2 524 . 2 . 2 129 129 PRO CA C 13 62.64678671 0 . . . . . . . 129 PRO CA . 52243 2 525 . 2 . 2 129 129 PRO CB C 13 32.84733939 0 . . . . . . . 129 PRO CB . 52243 2 526 . 2 . 2 130 130 LEU H H 1 8.371873047 0.002813682336 . . . . . . . 130 LEU H . 52243 2 527 . 2 . 2 130 130 LEU C C 13 173.8750544 0 . . . . . . . 130 LEU C . 52243 2 528 . 2 . 2 130 130 LEU CA C 13 52.66845458 0 . . . . . . . 130 LEU CA . 52243 2 529 . 2 . 2 130 130 LEU CB C 13 37.87224507 0 . . . . . . . 130 LEU CB . 52243 2 530 . 2 . 2 130 130 LEU N N 15 125.0292094 0.01757822269 . . . . . . . 130 LEU N . 52243 2 531 . 2 . 2 131 131 ALA H H 1 7.969442875 0.004015698198 . . . . . . . 131 ALA H . 52243 2 532 . 2 . 2 131 131 ALA C C 13 175.0798012 0 . . . . . . . 131 ALA C . 52243 2 533 . 2 . 2 131 131 ALA CA C 13 49.5928352 0 . . . . . . . 131 ALA CA . 52243 2 534 . 2 . 2 131 131 ALA CB C 13 18.80238695 0 . . . . . . . 131 ALA CB . 52243 2 535 . 2 . 2 131 131 ALA N N 15 124.5978515 0.02710956454 . . . . . . . 131 ALA N . 52243 2 536 . 2 . 2 134 134 SER C C 13 175.7689101 0 . . . . . . . 134 SER C . 52243 2 537 . 2 . 2 134 134 SER CA C 13 60.35214798 0 . . . . . . . 134 SER CA . 52243 2 538 . 2 . 2 134 134 SER CB C 13 62.45997101 0 . . . . . . . 134 SER CB . 52243 2 539 . 2 . 2 135 135 LYS H H 1 8.259174073 0.003404736924 . . . . . . . 135 LYS H . 52243 2 540 . 2 . 2 135 135 LYS C C 13 177.0369665 0 . . . . . . . 135 LYS C . 52243 2 541 . 2 . 2 135 135 LYS CA C 13 56.29722724 0 . . . . . . . 135 LYS CA . 52243 2 542 . 2 . 2 135 135 LYS CB C 13 31.37627482 0 . . . . . . . 135 LYS CB . 52243 2 543 . 2 . 2 135 135 LYS N N 15 121.0372655 0.03124403932 . . . . . . . 135 LYS N . 52243 2 544 . 2 . 2 136 136 SER H H 1 8.060900831 0.002229711444 . . . . . . . 136 SER H . 52243 2 545 . 2 . 2 136 136 SER C C 13 173.9269395 0 . . . . . . . 136 SER C . 52243 2 546 . 2 . 2 136 136 SER CA C 13 57.63000699 0 . . . . . . . 136 SER CA . 52243 2 547 . 2 . 2 136 136 SER CB C 13 63.45365515 0 . . . . . . . 136 SER CB . 52243 2 548 . 2 . 2 136 136 SER N N 15 116.031344 0.01921720328 . . . . . . . 136 SER N . 52243 2 549 . 2 . 2 137 137 THR H H 1 7.618073187 0.001988413682 . . . . . . . 137 THR H . 52243 2 550 . 2 . 2 137 137 THR C C 13 174.6116611 0 . . . . . . . 137 THR C . 52243 2 551 . 2 . 2 137 137 THR CA C 13 61.34801222 0 . . . . . . . 137 THR CA . 52243 2 552 . 2 . 2 137 137 THR CB C 13 69.82838462 0 . . . . . . . 137 THR CB . 52243 2 553 . 2 . 2 137 137 THR N N 15 115.257335 0.02210682995 . . . . . . . 137 THR N . 52243 2 554 . 2 . 2 138 138 SER H H 1 8.568198092 0.003030032862 . . . . . . . 138 SER H . 52243 2 555 . 2 . 2 138 138 SER C C 13 175.3119577 0 . . . . . . . 138 SER C . 52243 2 556 . 2 . 2 138 138 SER CA C 13 57.81849446 0 . . . . . . . 138 SER CA . 52243 2 557 . 2 . 2 138 138 SER CB C 13 63.37290809 0 . . . . . . . 138 SER CB . 52243 2 558 . 2 . 2 138 138 SER N N 15 119.1302474 0.03175954917 . . . . . . . 138 SER N . 52243 2 559 . 2 . 2 139 139 GLY H H 1 8.409935938 0.002556615349 . . . . . . . 139 GLY H . 52243 2 560 . 2 . 2 139 139 GLY C C 13 174.7320001 0 . . . . . . . 139 GLY C . 52243 2 561 . 2 . 2 139 139 GLY CA C 13 45.21661943 0 . . . . . . . 139 GLY CA . 52243 2 562 . 2 . 2 139 139 GLY N N 15 111.3923451 0.04308099067 . . . . . . . 139 GLY N . 52243 2 563 . 2 . 2 140 140 GLY H H 1 8.21681832 0.001949216647 . . . . . . . 140 GLY H . 52243 2 564 . 2 . 2 140 140 GLY C C 13 174.9355583 0 . . . . . . . 140 GLY C . 52243 2 565 . 2 . 2 140 140 GLY CA C 13 45.10692978 0 . . . . . . . 140 GLY CA . 52243 2 566 . 2 . 2 140 140 GLY N N 15 109.4143855 0.002834744569 . . . . . . . 140 GLY N . 52243 2 567 . 2 . 2 141 141 THR H H 1 8.060044227 0.002649385202 . . . . . . . 141 THR H . 52243 2 568 . 2 . 2 141 141 THR C C 13 172.1616516 0 . . . . . . . 141 THR C . 52243 2 569 . 2 . 2 141 141 THR CA C 13 61.52954962 0 . . . . . . . 141 THR CA . 52243 2 570 . 2 . 2 141 141 THR CB C 13 70.99192008 0 . . . . . . . 141 THR CB . 52243 2 571 . 2 . 2 141 141 THR N N 15 118.6078032 0.02021453596 . . . . . . . 141 THR N . 52243 2 572 . 2 . 2 142 142 ALA H H 1 9.286282516 0.003043583639 . . . . . . . 142 ALA H . 52243 2 573 . 2 . 2 142 142 ALA C C 13 174.1472496 0 . . . . . . . 142 ALA C . 52243 2 574 . 2 . 2 142 142 ALA CA C 13 49.75512991 0 . . . . . . . 142 ALA CA . 52243 2 575 . 2 . 2 142 142 ALA CB C 13 21.93753528 0 . . . . . . . 142 ALA CB . 52243 2 576 . 2 . 2 142 142 ALA N N 15 127.6908781 0.03144419111 . . . . . . . 142 ALA N . 52243 2 577 . 2 . 2 143 143 ALA H H 1 7.34239749 0.003104337694 . . . . . . . 143 ALA H . 52243 2 578 . 2 . 2 143 143 ALA C C 13 175.0303537 0 . . . . . . . 143 ALA C . 52243 2 579 . 2 . 2 143 143 ALA CA C 13 49.40235999 0 . . . . . . . 143 ALA CA . 52243 2 580 . 2 . 2 143 143 ALA CB C 13 19.90902616 0 . . . . . . . 143 ALA CB . 52243 2 581 . 2 . 2 143 143 ALA N N 15 120.7468278 0.0310806107 . . . . . . . 143 ALA N . 52243 2 582 . 2 . 2 144 144 LEU H H 1 8.339547729 0.002336766699 . . . . . . . 144 LEU H . 52243 2 583 . 2 . 2 144 144 LEU C C 13 174.9839348 0 . . . . . . . 144 LEU C . 52243 2 584 . 2 . 2 144 144 LEU CA C 13 53.33792356 0 . . . . . . . 144 LEU CA . 52243 2 585 . 2 . 2 144 144 LEU CB C 13 43.8143779 0 . . . . . . . 144 LEU CB . 52243 2 586 . 2 . 2 144 144 LEU N N 15 117.5433281 0.01393055659 . . . . . . . 144 LEU N . 52243 2 587 . 2 . 2 145 145 GLY H H 1 8.817070379 0.001120625264 . . . . . . . 145 GLY H . 52243 2 588 . 2 . 2 145 145 GLY C C 13 171.8147226 0 . . . . . . . 145 GLY C . 52243 2 589 . 2 . 2 145 145 GLY CA C 13 48.40522966 0 . . . . . . . 145 GLY CA . 52243 2 590 . 2 . 2 145 145 GLY N N 15 105.3887097 0.03266837562 . . . . . . . 145 GLY N . 52243 2 591 . 2 . 2 146 146 CYS H H 1 9.495087862 0.002430664707 . . . . . . . 146 CYS H . 52243 2 592 . 2 . 2 146 146 CYS C C 13 171.316835 0 . . . . . . . 146 CYS C . 52243 2 593 . 2 . 2 146 146 CYS CA C 13 54.09679331 0 . . . . . . . 146 CYS CA . 52243 2 594 . 2 . 2 146 146 CYS CB C 13 46.13188553 0 . . . . . . . 146 CYS CB . 52243 2 595 . 2 . 2 146 146 CYS N N 15 118.0224192 0.005447648647 . . . . . . . 146 CYS N . 52243 2 596 . 2 . 2 147 147 LEU H H 1 9.422879547 0.001542179023 . . . . . . . 147 LEU H . 52243 2 597 . 2 . 2 147 147 LEU C C 13 173.7273326 0 . . . . . . . 147 LEU C . 52243 2 598 . 2 . 2 147 147 LEU CA C 13 54.08650322 0 . . . . . . . 147 LEU CA . 52243 2 599 . 2 . 2 147 147 LEU CB C 13 42.86441763 0 . . . . . . . 147 LEU CB . 52243 2 600 . 2 . 2 147 147 LEU N N 15 127.7219422 0.008336684212 . . . . . . . 147 LEU N . 52243 2 601 . 2 . 2 148 148 VAL H H 1 9.342321751 0.001850319874 . . . . . . . 148 VAL H . 52243 2 602 . 2 . 2 148 148 VAL C C 13 173.6646272 0 . . . . . . . 148 VAL C . 52243 2 603 . 2 . 2 148 148 VAL CA C 13 61.41215934 0 . . . . . . . 148 VAL CA . 52243 2 604 . 2 . 2 148 148 VAL CB C 13 29.97115765 0 . . . . . . . 148 VAL CB . 52243 2 605 . 2 . 2 148 148 VAL N N 15 129.9005531 0.01618844834 . . . . . . . 148 VAL N . 52243 2 606 . 2 . 2 149 149 LYS H H 1 8.779669469 0.004446656815 . . . . . . . 149 LYS H . 52243 2 607 . 2 . 2 149 149 LYS C C 13 174.8767353 0 . . . . . . . 149 LYS C . 52243 2 608 . 2 . 2 149 149 LYS CA C 13 55.84759795 0 . . . . . . . 149 LYS CA . 52243 2 609 . 2 . 2 149 149 LYS CB C 13 36.57839026 0 . . . . . . . 149 LYS CB . 52243 2 610 . 2 . 2 149 149 LYS N N 15 126.8441733 0.03390319856 . . . . . . . 149 LYS N . 52243 2 611 . 2 . 2 150 150 ASP H H 1 8.063046757 0.005433856997 . . . . . . . 150 ASP H . 52243 2 612 . 2 . 2 150 150 ASP C C 13 172.2269971 0 . . . . . . . 150 ASP C . 52243 2 613 . 2 . 2 150 150 ASP CA C 13 55.69114679 0 . . . . . . . 150 ASP CA . 52243 2 614 . 2 . 2 150 150 ASP CB C 13 36.57952722 0 . . . . . . . 150 ASP CB . 52243 2 615 . 2 . 2 150 150 ASP N N 15 120.6524571 0.03342586098 . . . . . . . 150 ASP N . 52243 2 616 . 2 . 2 151 151 TYR H H 1 7.764500735 0.00227061211 . . . . . . . 151 TYR H . 52243 2 617 . 2 . 2 151 151 TYR C C 13 173.9179999 0 . . . . . . . 151 TYR C . 52243 2 618 . 2 . 2 151 151 TYR CA C 13 54.1354109 0 . . . . . . . 151 TYR CA . 52243 2 619 . 2 . 2 151 151 TYR CB C 13 41.63407362 0 . . . . . . . 151 TYR CB . 52243 2 620 . 2 . 2 151 151 TYR N N 15 114.214331 0.009332733361 . . . . . . . 151 TYR N . 52243 2 621 . 2 . 2 152 152 PHE H H 1 9.247895205 0.001939739449 . . . . . . . 152 PHE H . 52243 2 622 . 2 . 2 152 152 PHE C C 13 173.2846008 0 . . . . . . . 152 PHE C . 52243 2 623 . 2 . 2 152 152 PHE CA C 13 57.54924122 0 . . . . . . . 152 PHE CA . 52243 2 624 . 2 . 2 152 152 PHE CB C 13 42.47055275 0 . . . . . . . 152 PHE CB . 52243 2 625 . 2 . 2 152 152 PHE N N 15 120.5713888 0.02215092771 . . . . . . . 152 PHE N . 52243 2 626 . 2 . 2 155 155 PRO C C 13 176.3445546 0 . . . . . . . 155 PRO C . 52243 2 627 . 2 . 2 155 155 PRO CA C 13 61.93036556 0 . . . . . . . 155 PRO CA . 52243 2 628 . 2 . 2 155 155 PRO CB C 13 33.9699199 0 . . . . . . . 155 PRO CB . 52243 2 629 . 2 . 2 156 156 VAL H H 1 7.79821662 0.003606969752 . . . . . . . 156 VAL H . 52243 2 630 . 2 . 2 156 156 VAL C C 13 174.6949035 0 . . . . . . . 156 VAL C . 52243 2 631 . 2 . 2 156 156 VAL CA C 13 59.69908312 0 . . . . . . . 156 VAL CA . 52243 2 632 . 2 . 2 156 156 VAL CB C 13 34.10922813 0 . . . . . . . 156 VAL CB . 52243 2 633 . 2 . 2 156 156 VAL N N 15 115.2202777 0.03864121794 . . . . . . . 156 VAL N . 52243 2 634 . 2 . 2 157 157 THR H H 1 8.328886328 0.004455648116 . . . . . . . 157 THR H . 52243 2 635 . 2 . 2 157 157 THR C C 13 173.5901498 0 . . . . . . . 157 THR C . 52243 2 636 . 2 . 2 157 157 THR CA C 13 60.27370724 0 . . . . . . . 157 THR CA . 52243 2 637 . 2 . 2 157 157 THR CB C 13 70.30175395 0 . . . . . . . 157 THR CB . 52243 2 638 . 2 . 2 157 157 THR N N 15 117.1383439 0.03409342372 . . . . . . . 157 THR N . 52243 2 639 . 2 . 2 158 158 VAL H H 1 8.66865844 0.001278096437 . . . . . . . 158 VAL H . 52243 2 640 . 2 . 2 158 158 VAL C C 13 175.1976827 0 . . . . . . . 158 VAL C . 52243 2 641 . 2 . 2 158 158 VAL CA C 13 60.39991629 0 . . . . . . . 158 VAL CA . 52243 2 642 . 2 . 2 158 158 VAL CB C 13 33.34267098 0 . . . . . . . 158 VAL CB . 52243 2 643 . 2 . 2 158 158 VAL N N 15 124.4008181 0.04411829513 . . . . . . . 158 VAL N . 52243 2 644 . 2 . 2 159 159 SER H H 1 8.816388601 0.003121108274 . . . . . . . 159 SER H . 52243 2 645 . 2 . 2 159 159 SER C C 13 170.9992069 0 . . . . . . . 159 SER C . 52243 2 646 . 2 . 2 159 159 SER CA C 13 55.97235786 0 . . . . . . . 159 SER CA . 52243 2 647 . 2 . 2 159 159 SER CB C 13 66.36985209 0 . . . . . . . 159 SER CB . 52243 2 648 . 2 . 2 159 159 SER N N 15 123.1931429 0.01935296204 . . . . . . . 159 SER N . 52243 2 649 . 2 . 2 160 160 TRP H H 1 9.187889281 0.001750959087 . . . . . . . 160 TRP H . 52243 2 650 . 2 . 2 160 160 TRP C C 13 177.5167412 0 . . . . . . . 160 TRP C . 52243 2 651 . 2 . 2 160 160 TRP CA C 13 56.00993654 0 . . . . . . . 160 TRP CA . 52243 2 652 . 2 . 2 160 160 TRP CB C 13 30.72649614 0 . . . . . . . 160 TRP CB . 52243 2 653 . 2 . 2 160 160 TRP N N 15 120.1027894 0.03511083284 . . . . . . . 160 TRP N . 52243 2 654 . 2 . 2 161 161 ASN H H 1 10.4148105 0.002401585528 . . . . . . . 161 ASN H . 52243 2 655 . 2 . 2 161 161 ASN C C 13 177.0853085 0 . . . . . . . 161 ASN C . 52243 2 656 . 2 . 2 161 161 ASN CA C 13 53.65362053 0 . . . . . . . 161 ASN CA . 52243 2 657 . 2 . 2 161 161 ASN CB C 13 35.49475526 0 . . . . . . . 161 ASN CB . 52243 2 658 . 2 . 2 161 161 ASN N N 15 126.0212862 0.007508860456 . . . . . . . 161 ASN N . 52243 2 659 . 2 . 2 162 162 SER H H 1 9.639710494 0.001683180852 . . . . . . . 162 SER H . 52243 2 660 . 2 . 2 162 162 SER C C 13 174.6183843 0 . . . . . . . 162 SER C . 52243 2 661 . 2 . 2 162 162 SER CA C 13 58.57600941 0 . . . . . . . 162 SER CA . 52243 2 662 . 2 . 2 162 162 SER CB C 13 60.95579704 0 . . . . . . . 162 SER CB . 52243 2 663 . 2 . 2 162 162 SER N N 15 112.3814042 0.01028016679 . . . . . . . 162 SER N . 52243 2 664 . 2 . 2 163 163 GLY H H 1 7.751085305 0.001683886202 . . . . . . . 163 GLY H . 52243 2 665 . 2 . 2 163 163 GLY C C 13 174.4180903 0 . . . . . . . 163 GLY C . 52243 2 666 . 2 . 2 163 163 GLY CA C 13 43.97331055 0 . . . . . . . 163 GLY CA . 52243 2 667 . 2 . 2 163 163 GLY N N 15 106.0188265 0.005071269148 . . . . . . . 163 GLY N . 52243 2 668 . 2 . 2 164 164 ALA H H 1 7.670634671 0.00392682846 . . . . . . . 164 ALA H . 52243 2 669 . 2 . 2 164 164 ALA C C 13 177.3464978 0 . . . . . . . 164 ALA C . 52243 2 670 . 2 . 2 164 164 ALA CA C 13 52.96840057 0 . . . . . . . 164 ALA CA . 52243 2 671 . 2 . 2 164 164 ALA CB C 13 18.39161529 0 . . . . . . . 164 ALA CB . 52243 2 672 . 2 . 2 164 164 ALA N N 15 121.3735626 0.01174846033 . . . . . . . 164 ALA N . 52243 2 673 . 2 . 2 165 165 LEU H H 1 7.144576166 0.001880693394 . . . . . . . 165 LEU H . 52243 2 674 . 2 . 2 165 165 LEU C C 13 174.4768238 0 . . . . . . . 165 LEU C . 52243 2 675 . 2 . 2 165 165 LEU CA C 13 53.88307496 0 . . . . . . . 165 LEU CA . 52243 2 676 . 2 . 2 165 165 LEU CB C 13 41.67255719 0 . . . . . . . 165 LEU CB . 52243 2 677 . 2 . 2 165 165 LEU N N 15 119.8490817 0.02559763058 . . . . . . . 165 LEU N . 52243 2 678 . 2 . 2 166 166 THR H H 1 8.564823826 0.002515596102 . . . . . . . 166 THR H . 52243 2 679 . 2 . 2 166 166 THR C C 13 175.2686243 0 . . . . . . . 166 THR C . 52243 2 680 . 2 . 2 166 166 THR CA C 13 61.06332646 0 . . . . . . . 166 THR CA . 52243 2 681 . 2 . 2 166 166 THR CB C 13 69.94095269 0 . . . . . . . 166 THR CB . 52243 2 682 . 2 . 2 166 166 THR N N 15 114.7838824 0.01475711323 . . . . . . . 166 THR N . 52243 2 683 . 2 . 2 167 167 SER H H 1 8.027832482 0.001903975876 . . . . . . . 167 SER H . 52243 2 684 . 2 . 2 167 167 SER C C 13 174.7223442 0 . . . . . . . 167 SER C . 52243 2 685 . 2 . 2 167 167 SER CA C 13 58.27863639 0 . . . . . . . 167 SER CA . 52243 2 686 . 2 . 2 167 167 SER CB C 13 62.86791004 0 . . . . . . . 167 SER CB . 52243 2 687 . 2 . 2 167 167 SER N N 15 120.7507171 0.01111861127 . . . . . . . 167 SER N . 52243 2 688 . 2 . 2 168 168 GLY H H 1 8.586013094 0.001430355208 . . . . . . . 168 GLY H . 52243 2 689 . 2 . 2 168 168 GLY C C 13 173.504015 0 . . . . . . . 168 GLY C . 52243 2 690 . 2 . 2 168 168 GLY CA C 13 45.37879079 0 . . . . . . . 168 GLY CA . 52243 2 691 . 2 . 2 168 168 GLY N N 15 113.3926963 0.01832212365 . . . . . . . 168 GLY N . 52243 2 692 . 2 . 2 169 169 VAL H H 1 6.911324498 0.004369622571 . . . . . . . 169 VAL H . 52243 2 693 . 2 . 2 169 169 VAL C C 13 177.1560733 0 . . . . . . . 169 VAL C . 52243 2 694 . 2 . 2 169 169 VAL CA C 13 61.25050597 0 . . . . . . . 169 VAL CA . 52243 2 695 . 2 . 2 169 169 VAL CB C 13 32.25781469 0 . . . . . . . 169 VAL CB . 52243 2 696 . 2 . 2 169 169 VAL N N 15 119.8336264 0.0234458053 . . . . . . . 169 VAL N . 52243 2 697 . 2 . 2 170 170 HIS H H 1 9.255249255 0.001809631718 . . . . . . . 170 HIS H . 52243 2 698 . 2 . 2 170 170 HIS C C 13 172.549953 0 . . . . . . . 170 HIS C . 52243 2 699 . 2 . 2 170 170 HIS CA C 13 54.07377255 0 . . . . . . . 170 HIS CA . 52243 2 700 . 2 . 2 170 170 HIS CB C 13 29.79691602 0 . . . . . . . 170 HIS CB . 52243 2 701 . 2 . 2 170 170 HIS N N 15 125.1006441 0.04411186291 . . . . . . . 170 HIS N . 52243 2 702 . 2 . 2 171 171 THR H H 1 8.826101252 0.002681930135 . . . . . . . 171 THR H . 52243 2 703 . 2 . 2 171 171 THR C C 13 173.7663385 0 . . . . . . . 171 THR C . 52243 2 704 . 2 . 2 171 171 THR CA C 13 61.87073916 0 . . . . . . . 171 THR CA . 52243 2 705 . 2 . 2 171 171 THR CB C 13 68.18335977 0 . . . . . . . 171 THR CB . 52243 2 706 . 2 . 2 171 171 THR N N 15 124.1246274 0.03508074154 . . . . . . . 171 THR N . 52243 2 707 . 2 . 2 172 172 PHE H H 1 8.622432295 0.0006180686331 . . . . . . . 172 PHE H . 52243 2 708 . 2 . 2 172 172 PHE CA C 13 58.38077076 0 . . . . . . . 172 PHE CA . 52243 2 709 . 2 . 2 172 172 PHE CB C 13 38.02843846 0 . . . . . . . 172 PHE CB . 52243 2 710 . 2 . 2 172 172 PHE N N 15 128.6404044 0.02428619772 . . . . . . . 172 PHE N . 52243 2 711 . 2 . 2 173 173 PRO C C 13 177.3833277 0 . . . . . . . 173 PRO C . 52243 2 712 . 2 . 2 173 173 PRO CA C 13 62.36514195 0 . . . . . . . 173 PRO CA . 52243 2 713 . 2 . 2 173 173 PRO CB C 13 31.31504554 0 . . . . . . . 173 PRO CB . 52243 2 714 . 2 . 2 174 174 ALA H H 1 9.073169966 0.002338787003 . . . . . . . 174 ALA H . 52243 2 715 . 2 . 2 174 174 ALA C C 13 178.2767103 0 . . . . . . . 174 ALA C . 52243 2 716 . 2 . 2 174 174 ALA CA C 13 52.22549668 0 . . . . . . . 174 ALA CA . 52243 2 717 . 2 . 2 174 174 ALA CB C 13 20.02945433 0 . . . . . . . 174 ALA CB . 52243 2 718 . 2 . 2 174 174 ALA N N 15 127.3202807 0.02069031919 . . . . . . . 174 ALA N . 52243 2 719 . 2 . 2 175 175 VAL H H 1 8.73546671 0.004199917275 . . . . . . . 175 VAL H . 52243 2 720 . 2 . 2 175 175 VAL C C 13 174.833394 0 . . . . . . . 175 VAL C . 52243 2 721 . 2 . 2 175 175 VAL CA C 13 59.71347999 0 . . . . . . . 175 VAL CA . 52243 2 722 . 2 . 2 175 175 VAL CB C 13 33.63438839 0 . . . . . . . 175 VAL CB . 52243 2 723 . 2 . 2 175 175 VAL N N 15 118.6406737 0.013363928 . . . . . . . 175 VAL N . 52243 2 724 . 2 . 2 176 176 LEU H H 1 8.573947285 0.002298759618 . . . . . . . 176 LEU H . 52243 2 725 . 2 . 2 176 176 LEU C C 13 176.8026993 0 . . . . . . . 176 LEU C . 52243 2 726 . 2 . 2 176 176 LEU CA C 13 54.28257232 0 . . . . . . . 176 LEU CA . 52243 2 727 . 2 . 2 176 176 LEU CB C 13 41.18263154 0 . . . . . . . 176 LEU CB . 52243 2 728 . 2 . 2 176 176 LEU N N 15 127.6736116 0.03793571075 . . . . . . . 176 LEU N . 52243 2 729 . 2 . 2 177 177 GLN H H 1 8.171004882 0.001377176306 . . . . . . . 177 GLN H . 52243 2 730 . 2 . 2 177 177 GLN C C 13 178.2325854 0 . . . . . . . 177 GLN C . 52243 2 731 . 2 . 2 177 177 GLN CA C 13 54.75634336 0 . . . . . . . 177 GLN CA . 52243 2 732 . 2 . 2 177 177 GLN CB C 13 31.82150413 0 . . . . . . . 177 GLN CB . 52243 2 733 . 2 . 2 177 177 GLN N N 15 125.8391105 0.02003505547 . . . . . . . 177 GLN N . 52243 2 734 . 2 . 2 178 178 SER C C 13 174.7638273 0 . . . . . . . 178 SER C . 52243 2 735 . 2 . 2 178 178 SER CA C 13 60.94847792 0 . . . . . . . 178 SER CA . 52243 2 736 . 2 . 2 178 178 SER CB C 13 61.91440339 0 . . . . . . . 178 SER CB . 52243 2 737 . 2 . 2 179 179 SER H H 1 7.268186878 0.002024504607 . . . . . . . 179 SER H . 52243 2 738 . 2 . 2 179 179 SER C C 13 175.3251146 0 . . . . . . . 179 SER C . 52243 2 739 . 2 . 2 179 179 SER CA C 13 57.40528091 0 . . . . . . . 179 SER CA . 52243 2 740 . 2 . 2 179 179 SER CB C 13 63.84016991 0 . . . . . . . 179 SER CB . 52243 2 741 . 2 . 2 179 179 SER N N 15 113.5010322 0.03514771155 . . . . . . . 179 SER N . 52243 2 742 . 2 . 2 180 180 GLY H H 1 8.014222725 0.002053564905 . . . . . . . 180 GLY H . 52243 2 743 . 2 . 2 180 180 GLY C C 13 171.3995507 0 . . . . . . . 180 GLY C . 52243 2 744 . 2 . 2 180 180 GLY CA C 13 44.44192678 0 . . . . . . . 180 GLY CA . 52243 2 745 . 2 . 2 180 180 GLY N N 15 110.1952682 0.03661814588 . . . . . . . 180 GLY N . 52243 2 746 . 2 . 2 181 181 LEU H H 1 6.803936926 0.005013085061 . . . . . . . 181 LEU H . 52243 2 747 . 2 . 2 181 181 LEU C C 13 177.236373 0 . . . . . . . 181 LEU C . 52243 2 748 . 2 . 2 181 181 LEU CA C 13 51.91099806 0 . . . . . . . 181 LEU CA . 52243 2 749 . 2 . 2 181 181 LEU CB C 13 42.67757722 0 . . . . . . . 181 LEU CB . 52243 2 750 . 2 . 2 181 181 LEU N N 15 115.2652346 0.01667681816 . . . . . . . 181 LEU N . 52243 2 751 . 2 . 2 182 182 TYR H H 1 9.063034406 0.0009356237672 . . . . . . . 182 TYR H . 52243 2 752 . 2 . 2 182 182 TYR C C 13 176.6622877 0 . . . . . . . 182 TYR C . 52243 2 753 . 2 . 2 182 182 TYR CA C 13 58.2653815 0 . . . . . . . 182 TYR CA . 52243 2 754 . 2 . 2 182 182 TYR CB C 13 39.27134638 0 . . . . . . . 182 TYR CB . 52243 2 755 . 2 . 2 182 182 TYR N N 15 122.8897103 0.009773090329 . . . . . . . 182 TYR N . 52243 2 756 . 2 . 2 183 183 SER H H 1 8.228739451 0.001039838539 . . . . . . . 183 SER H . 52243 2 757 . 2 . 2 183 183 SER C C 13 172.6628354 0 . . . . . . . 183 SER C . 52243 2 758 . 2 . 2 183 183 SER CA C 13 57.27270682 0 . . . . . . . 183 SER CA . 52243 2 759 . 2 . 2 183 183 SER CB C 13 65.72340332 0 . . . . . . . 183 SER CB . 52243 2 760 . 2 . 2 183 183 SER N N 15 111.75422 0.008586071019 . . . . . . . 183 SER N . 52243 2 761 . 2 . 2 184 184 LEU H H 1 9.464986842 0.002182354524 . . . . . . . 184 LEU H . 52243 2 762 . 2 . 2 184 184 LEU C C 13 174.549795 0 . . . . . . . 184 LEU C . 52243 2 763 . 2 . 2 184 184 LEU CA C 13 55.0454288 0 . . . . . . . 184 LEU CA . 52243 2 764 . 2 . 2 184 184 LEU CB C 13 44.35224756 0 . . . . . . . 184 LEU CB . 52243 2 765 . 2 . 2 184 184 LEU N N 15 125.8360288 0.02970123714 . . . . . . . 184 LEU N . 52243 2 766 . 2 . 2 185 185 SER H H 1 7.295984658 0.004198458874 . . . . . . . 185 SER H . 52243 2 767 . 2 . 2 185 185 SER C C 13 172.5884026 0 . . . . . . . 185 SER C . 52243 2 768 . 2 . 2 185 185 SER CA C 13 57.6378253 0 . . . . . . . 185 SER CA . 52243 2 769 . 2 . 2 185 185 SER CB C 13 65.6929899 0 . . . . . . . 185 SER CB . 52243 2 770 . 2 . 2 185 185 SER N N 15 114.3880759 0.03817658546 . . . . . . . 185 SER N . 52243 2 771 . 2 . 2 186 186 SER H H 1 8.610702134 0.001364198224 . . . . . . . 186 SER H . 52243 2 772 . 2 . 2 186 186 SER C C 13 174.2015007 0 . . . . . . . 186 SER C . 52243 2 773 . 2 . 2 186 186 SER CA C 13 56.43529543 0 . . . . . . . 186 SER CA . 52243 2 774 . 2 . 2 186 186 SER CB C 13 64.02390368 0 . . . . . . . 186 SER CB . 52243 2 775 . 2 . 2 186 186 SER N N 15 116.4805171 0.03565214059 . . . . . . . 186 SER N . 52243 2 776 . 2 . 2 187 187 VAL H H 1 9.1376539 0.004224845652 . . . . . . . 187 VAL H . 52243 2 777 . 2 . 2 187 187 VAL C C 13 172.8361282 0 . . . . . . . 187 VAL C . 52243 2 778 . 2 . 2 187 187 VAL CA C 13 58.53747264 0 . . . . . . . 187 VAL CA . 52243 2 779 . 2 . 2 187 187 VAL CB C 13 35.19535605 0 . . . . . . . 187 VAL CB . 52243 2 780 . 2 . 2 187 187 VAL N N 15 123.3352822 0.03476406388 . . . . . . . 187 VAL N . 52243 2 781 . 2 . 2 188 188 VAL H H 1 8.887229651 0.002836707671 . . . . . . . 188 VAL H . 52243 2 782 . 2 . 2 188 188 VAL C C 13 173.9974375 0 . . . . . . . 188 VAL C . 52243 2 783 . 2 . 2 188 188 VAL CA C 13 58.61215258 0 . . . . . . . 188 VAL CA . 52243 2 784 . 2 . 2 188 188 VAL CB C 13 33.45347676 0 . . . . . . . 188 VAL CB . 52243 2 785 . 2 . 2 188 188 VAL N N 15 121.4755397 0.03644864595 . . . . . . . 188 VAL N . 52243 2 786 . 2 . 2 189 189 THR H H 1 7.173922387 0.01241578644 . . . . . . . 189 THR H . 52243 2 787 . 2 . 2 189 189 THR C C 13 174.1783143 0 . . . . . . . 189 THR C . 52243 2 788 . 2 . 2 189 189 THR CA C 13 58.5032938 0 . . . . . . . 189 THR CA . 52243 2 789 . 2 . 2 189 189 THR CB C 13 69.37676389 0 . . . . . . . 189 THR CB . 52243 2 790 . 2 . 2 189 189 THR N N 15 115.0517786 0.0384505641 . . . . . . . 189 THR N . 52243 2 791 . 2 . 2 190 190 VAL H H 1 8.617037881 0.003220786697 . . . . . . . 190 VAL H . 52243 2 792 . 2 . 2 190 190 VAL C C 13 172.580298 0 . . . . . . . 190 VAL C . 52243 2 793 . 2 . 2 190 190 VAL CA C 13 56.9663614 0 . . . . . . . 190 VAL CA . 52243 2 794 . 2 . 2 190 190 VAL CB C 13 32.69921049 0 . . . . . . . 190 VAL CB . 52243 2 795 . 2 . 2 190 190 VAL N N 15 117.7309187 0.01402727221 . . . . . . . 190 VAL N . 52243 2 796 . 2 . 2 191 191 PRO C C 13 180.3845007 0 . . . . . . . 191 PRO C . 52243 2 797 . 2 . 2 191 191 PRO CA C 13 62.28441836 0 . . . . . . . 191 PRO CA . 52243 2 798 . 2 . 2 191 191 PRO CB C 13 30.87547753 0 . . . . . . . 191 PRO CB . 52243 2 799 . 2 . 2 192 192 SER H H 1 9.019970014 0.003151010911 . . . . . . . 192 SER H . 52243 2 800 . 2 . 2 192 192 SER C C 13 176.9756316 0 . . . . . . . 192 SER C . 52243 2 801 . 2 . 2 192 192 SER CA C 13 61.47863971 0 . . . . . . . 192 SER CA . 52243 2 802 . 2 . 2 192 192 SER CB C 13 62.03431566 0 . . . . . . . 192 SER CB . 52243 2 803 . 2 . 2 192 192 SER N N 15 125.2864282 0.01278968114 . . . . . . . 192 SER N . 52243 2 804 . 2 . 2 193 193 SER H H 1 8.492780907 0.001949917343 . . . . . . . 193 SER H . 52243 2 805 . 2 . 2 193 193 SER C C 13 175.6348716 0 . . . . . . . 193 SER C . 52243 2 806 . 2 . 2 193 193 SER CA C 13 59.67331225 0 . . . . . . . 193 SER CA . 52243 2 807 . 2 . 2 193 193 SER CB C 13 62.10025353 0 . . . . . . . 193 SER CB . 52243 2 808 . 2 . 2 193 193 SER N N 15 116.2679584 0.00930799363 . . . . . . . 193 SER N . 52243 2 809 . 2 . 2 194 194 SER H H 1 7.82410947 0.004259141456 . . . . . . . 194 SER H . 52243 2 810 . 2 . 2 194 194 SER C C 13 175.3320018 0 . . . . . . . 194 SER C . 52243 2 811 . 2 . 2 194 194 SER CA C 13 58.95472863 0 . . . . . . . 194 SER CA . 52243 2 812 . 2 . 2 194 194 SER CB C 13 64.17596557 0 . . . . . . . 194 SER CB . 52243 2 813 . 2 . 2 194 194 SER N N 15 116.8890655 0.02671972649 . . . . . . . 194 SER N . 52243 2 814 . 2 . 2 195 195 LEU H H 1 7.366366529 0.00195966718 . . . . . . . 195 LEU H . 52243 2 815 . 2 . 2 195 195 LEU C C 13 178.3895356 0 . . . . . . . 195 LEU C . 52243 2 816 . 2 . 2 195 195 LEU CA C 13 56.63797949 0 . . . . . . . 195 LEU CA . 52243 2 817 . 2 . 2 195 195 LEU CB C 13 40.35149816 0 . . . . . . . 195 LEU CB . 52243 2 818 . 2 . 2 195 195 LEU N N 15 122.6749368 0.02543531688 . . . . . . . 195 LEU N . 52243 2 819 . 2 . 2 196 196 GLY H H 1 8.686921464 0.002656429209 . . . . . . . 196 GLY H . 52243 2 820 . 2 . 2 196 196 GLY C C 13 174.8346138 0 . . . . . . . 196 GLY C . 52243 2 821 . 2 . 2 196 196 GLY CA C 13 45.03664227 0 . . . . . . . 196 GLY CA . 52243 2 822 . 2 . 2 196 196 GLY N N 15 107.5881296 0.03565716045 . . . . . . . 196 GLY N . 52243 2 823 . 2 . 2 197 197 THR H H 1 7.459186404 0.003367320594 . . . . . . . 197 THR H . 52243 2 824 . 2 . 2 197 197 THR C C 13 174.0599199 0 . . . . . . . 197 THR C . 52243 2 825 . 2 . 2 197 197 THR CA C 13 61.93138971 0 . . . . . . . 197 THR CA . 52243 2 826 . 2 . 2 197 197 THR CB C 13 69.83358635 0 . . . . . . . 197 THR CB . 52243 2 827 . 2 . 2 197 197 THR N N 15 110.3254256 0.02373966728 . . . . . . . 197 THR N . 52243 2 828 . 2 . 2 198 198 GLN H H 1 7.82102278 0.002552132665 . . . . . . . 198 GLN H . 52243 2 829 . 2 . 2 198 198 GLN C C 13 173.9053537 0 . . . . . . . 198 GLN C . 52243 2 830 . 2 . 2 198 198 GLN CA C 13 53.9127229 0 . . . . . . . 198 GLN CA . 52243 2 831 . 2 . 2 198 198 GLN CB C 13 29.97823924 0 . . . . . . . 198 GLN CB . 52243 2 832 . 2 . 2 198 198 GLN N N 15 122.2327319 0.01803976634 . . . . . . . 198 GLN N . 52243 2 833 . 2 . 2 199 199 THR H H 1 7.941633201 0.001691406444 . . . . . . . 199 THR H . 52243 2 834 . 2 . 2 199 199 THR C C 13 173.3111172 0 . . . . . . . 199 THR C . 52243 2 835 . 2 . 2 199 199 THR CA C 13 61.5927428 0 . . . . . . . 199 THR CA . 52243 2 836 . 2 . 2 199 199 THR CB C 13 69.79529871 0 . . . . . . . 199 THR CB . 52243 2 837 . 2 . 2 199 199 THR N N 15 118.6779291 0.01874497308 . . . . . . . 199 THR N . 52243 2 838 . 2 . 2 200 200 TYR H H 1 9.22823552 0.005036354351 . . . . . . . 200 TYR H . 52243 2 839 . 2 . 2 200 200 TYR C C 13 173.6652609 0 . . . . . . . 200 TYR C . 52243 2 840 . 2 . 2 200 200 TYR CA C 13 58.04928549 0 . . . . . . . 200 TYR CA . 52243 2 841 . 2 . 2 200 200 TYR CB C 13 40.1365658 0 . . . . . . . 200 TYR CB . 52243 2 842 . 2 . 2 200 200 TYR N N 15 127.1244662 0.04029060593 . . . . . . . 200 TYR N . 52243 2 843 . 2 . 2 201 201 ILE H H 1 8.875213421 0.003793935937 . . . . . . . 201 ILE H . 52243 2 844 . 2 . 2 201 201 ILE C C 13 174.6451537 0 . . . . . . . 201 ILE C . 52243 2 845 . 2 . 2 201 201 ILE CA C 13 58.51244566 0 . . . . . . . 201 ILE CA . 52243 2 846 . 2 . 2 201 201 ILE CB C 13 41.40049564 0 . . . . . . . 201 ILE CB . 52243 2 847 . 2 . 2 201 201 ILE N N 15 124.0488441 0.01164290773 . . . . . . . 201 ILE N . 52243 2 848 . 2 . 2 202 202 CYS H H 1 8.605595814 0.001972569078 . . . . . . . 202 CYS H . 52243 2 849 . 2 . 2 202 202 CYS C C 13 172.1488457 0 . . . . . . . 202 CYS C . 52243 2 850 . 2 . 2 202 202 CYS CA C 13 52.04072891 0 . . . . . . . 202 CYS CA . 52243 2 851 . 2 . 2 202 202 CYS CB C 13 42.69333654 0 . . . . . . . 202 CYS CB . 52243 2 852 . 2 . 2 202 202 CYS N N 15 123.5316477 0.05771737553 . . . . . . . 202 CYS N . 52243 2 853 . 2 . 2 203 203 ASN H H 1 8.900667789 0.001384050403 . . . . . . . 203 ASN H . 52243 2 854 . 2 . 2 203 203 ASN C C 13 174.2155273 0 . . . . . . . 203 ASN C . 52243 2 855 . 2 . 2 203 203 ASN CA C 13 51.55359864 0 . . . . . . . 203 ASN CA . 52243 2 856 . 2 . 2 203 203 ASN CB C 13 38.93192578 0 . . . . . . . 203 ASN CB . 52243 2 857 . 2 . 2 203 203 ASN N N 15 123.0546292 0.0240455973 . . . . . . . 203 ASN N . 52243 2 858 . 2 . 2 204 204 VAL H H 1 9.246632242 0.001285910888 . . . . . . . 204 VAL H . 52243 2 859 . 2 . 2 204 204 VAL C C 13 174.400422 0 . . . . . . . 204 VAL C . 52243 2 860 . 2 . 2 204 204 VAL CA C 13 61.02160086 0 . . . . . . . 204 VAL CA . 52243 2 861 . 2 . 2 204 204 VAL CB C 13 32.86519577 0 . . . . . . . 204 VAL CB . 52243 2 862 . 2 . 2 204 204 VAL N N 15 126.6321288 0.0248888498 . . . . . . . 204 VAL N . 52243 2 863 . 2 . 2 205 205 ASN H H 1 8.591221326 0.002784311237 . . . . . . . 205 ASN H . 52243 2 864 . 2 . 2 205 205 ASN C C 13 173.5877305 0 . . . . . . . 205 ASN C . 52243 2 865 . 2 . 2 205 205 ASN CA C 13 51.75607484 0 . . . . . . . 205 ASN CA . 52243 2 866 . 2 . 2 205 205 ASN CB C 13 40.97976295 0 . . . . . . . 205 ASN CB . 52243 2 867 . 2 . 2 205 205 ASN N N 15 126.1304029 0.05257289099 . . . . . . . 205 ASN N . 52243 2 868 . 2 . 2 206 206 HIS H H 1 8.842302165 0.002254071508 . . . . . . . 206 HIS H . 52243 2 869 . 2 . 2 206 206 HIS C C 13 173.3364546 0 . . . . . . . 206 HIS C . 52243 2 870 . 2 . 2 206 206 HIS CA C 13 54.41809116 0 . . . . . . . 206 HIS CA . 52243 2 871 . 2 . 2 206 206 HIS CB C 13 32.5941433 0 . . . . . . . 206 HIS CB . 52243 2 872 . 2 . 2 206 206 HIS N N 15 126.5114588 0.02635844483 . . . . . . . 206 HIS N . 52243 2 873 . 2 . 2 207 207 LYS H H 1 8.985908575 0.002269180299 . . . . . . . 207 LYS H . 52243 2 874 . 2 . 2 207 207 LYS C C 13 176.9140366 0 . . . . . . . 207 LYS C . 52243 2 875 . 2 . 2 207 207 LYS CA C 13 60.03290497 0 . . . . . . . 207 LYS CA . 52243 2 876 . 2 . 2 207 207 LYS CB C 13 28.77270518 0 . . . . . . . 207 LYS CB . 52243 2 877 . 2 . 2 207 207 LYS N N 15 128.1382649 0.01684237282 . . . . . . . 207 LYS N . 52243 2 878 . 2 . 2 209 209 SER H H 1 8.663190027 0.005794233942 . . . . . . . 209 SER H . 52243 2 879 . 2 . 2 209 209 SER C C 13 174.0832332 0 . . . . . . . 209 SER C . 52243 2 880 . 2 . 2 209 209 SER CA C 13 56.71610015 0 . . . . . . . 209 SER CA . 52243 2 881 . 2 . 2 209 209 SER CB C 13 64.12478514 0 . . . . . . . 209 SER CB . 52243 2 882 . 2 . 2 209 209 SER N N 15 116.7704316 0.02477709088 . . . . . . . 209 SER N . 52243 2 883 . 2 . 2 210 210 ASN H H 1 8.153927292 0.001402796651 . . . . . . . 210 ASN H . 52243 2 884 . 2 . 2 210 210 ASN C C 13 174.4067808 0 . . . . . . . 210 ASN C . 52243 2 885 . 2 . 2 210 210 ASN CA C 13 54.13400469 0 . . . . . . . 210 ASN CA . 52243 2 886 . 2 . 2 210 210 ASN CB C 13 37.22935372 0 . . . . . . . 210 ASN CB . 52243 2 887 . 2 . 2 210 210 ASN N N 15 121.0799921 0.02502838669 . . . . . . . 210 ASN N . 52243 2 888 . 2 . 2 211 211 THR H H 1 7.776957363 0.003879472662 . . . . . . . 211 THR H . 52243 2 889 . 2 . 2 211 211 THR C C 13 173.4226425 0 . . . . . . . 211 THR C . 52243 2 890 . 2 . 2 211 211 THR CA C 13 62.75594705 0 . . . . . . . 211 THR CA . 52243 2 891 . 2 . 2 211 211 THR CB C 13 69.34240785 0 . . . . . . . 211 THR CB . 52243 2 892 . 2 . 2 211 211 THR N N 15 113.8842022 0.0317390767 . . . . . . . 211 THR N . 52243 2 893 . 2 . 2 212 212 LYS H H 1 8.487802934 0.001647281036 . . . . . . . 212 LYS H . 52243 2 894 . 2 . 2 212 212 LYS C C 13 175.0081353 0 . . . . . . . 212 LYS C . 52243 2 895 . 2 . 2 212 212 LYS CA C 13 55.30066021 0 . . . . . . . 212 LYS CA . 52243 2 896 . 2 . 2 212 212 LYS CB C 13 33.52680973 0 . . . . . . . 212 LYS CB . 52243 2 897 . 2 . 2 212 212 LYS N N 15 129.8250363 0.02603999022 . . . . . . . 212 LYS N . 52243 2 898 . 2 . 2 213 213 VAL H H 1 8.634146761 0.003784027481 . . . . . . . 213 VAL H . 52243 2 899 . 2 . 2 213 213 VAL C C 13 172.8217726 0 . . . . . . . 213 VAL C . 52243 2 900 . 2 . 2 213 213 VAL CA C 13 60.39177344 0 . . . . . . . 213 VAL CA . 52243 2 901 . 2 . 2 213 213 VAL CB C 13 35.67587696 0 . . . . . . . 213 VAL CB . 52243 2 902 . 2 . 2 213 213 VAL N N 15 124.7843329 0.01098617423 . . . . . . . 213 VAL N . 52243 2 903 . 2 . 2 214 214 ASP H H 1 8.264487561 0.002315344209 . . . . . . . 214 ASP H . 52243 2 904 . 2 . 2 214 214 ASP C C 13 175.1729453 0 . . . . . . . 214 ASP C . 52243 2 905 . 2 . 2 214 214 ASP CA C 13 52.32565084 0 . . . . . . . 214 ASP CA . 52243 2 906 . 2 . 2 214 214 ASP CB C 13 42.47751819 0 . . . . . . . 214 ASP CB . 52243 2 907 . 2 . 2 214 214 ASP N N 15 126.9617464 0.02512506 . . . . . . . 214 ASP N . 52243 2 908 . 2 . 2 215 215 LYS H H 1 8.618080602 0.003852173827 . . . . . . . 215 LYS H . 52243 2 909 . 2 . 2 215 215 LYS C C 13 173.2659047 0 . . . . . . . 215 LYS C . 52243 2 910 . 2 . 2 215 215 LYS CA C 13 52.89845581 0 . . . . . . . 215 LYS CA . 52243 2 911 . 2 . 2 215 215 LYS CB C 13 33.40958082 0 . . . . . . . 215 LYS CB . 52243 2 912 . 2 . 2 215 215 LYS N N 15 125.040764 0.03895914574 . . . . . . . 215 LYS N . 52243 2 913 . 2 . 2 216 216 LYS H H 1 8.495508364 0.001516439786 . . . . . . . 216 LYS H . 52243 2 914 . 2 . 2 216 216 LYS C C 13 176.1403122 0 . . . . . . . 216 LYS C . 52243 2 915 . 2 . 2 216 216 LYS CA C 13 56.18200977 0 . . . . . . . 216 LYS CA . 52243 2 916 . 2 . 2 216 216 LYS CB C 13 32.06979521 0 . . . . . . . 216 LYS CB . 52243 2 917 . 2 . 2 216 216 LYS N N 15 128.2331046 0.0260449618 . . . . . . . 216 LYS N . 52243 2 918 . 2 . 2 217 217 VAL H H 1 8.972948685 0.002719666137 . . . . . . . 217 VAL H . 52243 2 919 . 2 . 2 217 217 VAL C C 13 174.8731272 0 . . . . . . . 217 VAL C . 52243 2 920 . 2 . 2 217 217 VAL CA C 13 62.43061462 0 . . . . . . . 217 VAL CA . 52243 2 921 . 2 . 2 217 217 VAL CB C 13 31.14136958 0 . . . . . . . 217 VAL CB . 52243 2 922 . 2 . 2 217 217 VAL N N 15 129.5913356 0.0119551001 . . . . . . . 217 VAL N . 52243 2 923 . 2 . 2 218 218 GLU H H 1 8.499344058 0.001917771334 . . . . . . . 218 GLU H . 52243 2 924 . 2 . 2 218 218 GLU C C 13 173.8022554 0 . . . . . . . 218 GLU C . 52243 2 925 . 2 . 2 218 218 GLU CA C 13 52.93310036 0 . . . . . . . 218 GLU CA . 52243 2 926 . 2 . 2 218 218 GLU CB C 13 30.64462714 0 . . . . . . . 218 GLU CB . 52243 2 927 . 2 . 2 218 218 GLU N N 15 127.2080792 0.02157987734 . . . . . . . 218 GLU N . 52243 2 928 . 2 . 2 219 219 PRO C C 13 176.2099246 0 . . . . . . . 219 PRO C . 52243 2 929 . 2 . 2 219 219 PRO CA C 13 62.32784054 0 . . . . . . . 219 PRO CA . 52243 2 930 . 2 . 2 219 219 PRO CB C 13 31.31060983 0 . . . . . . . 219 PRO CB . 52243 2 931 . 2 . 2 220 220 LYS H H 1 8.50294315 0.001934623426 . . . . . . . 220 LYS H . 52243 2 932 . 2 . 2 220 220 LYS C C 13 176.420084 0 . . . . . . . 220 LYS C . 52243 2 933 . 2 . 2 220 220 LYS CA C 13 55.54962784 0 . . . . . . . 220 LYS CA . 52243 2 934 . 2 . 2 220 220 LYS CB C 13 32.89205686 0 . . . . . . . 220 LYS CB . 52243 2 935 . 2 . 2 220 220 LYS N N 15 123.5660425 0.02398288639 . . . . . . . 220 LYS N . 52243 2 936 . 2 . 2 221 221 SER H H 1 8.580421022 0.001742399902 . . . . . . . 221 SER H . 52243 2 937 . 2 . 2 221 221 SER C C 13 174.6433514 0 . . . . . . . 221 SER C . 52243 2 938 . 2 . 2 221 221 SER CA C 13 57.49865222 0 . . . . . . . 221 SER CA . 52243 2 939 . 2 . 2 221 221 SER CB C 13 63.45595861 0 . . . . . . . 221 SER CB . 52243 2 940 . 2 . 2 221 221 SER N N 15 120.2695193 0.01079742438 . . . . . . . 221 SER N . 52243 2 941 . 2 . 2 222 222 CYS H H 1 8.636054917 0.00150796281 . . . . . . . 222 CYS H . 52243 2 942 . 2 . 2 222 222 CYS C C 13 174.3397397 0 . . . . . . . 222 CYS C . 52243 2 943 . 2 . 2 222 222 CYS CA C 13 55.11015094 0 . . . . . . . 222 CYS CA . 52243 2 944 . 2 . 2 222 222 CYS CB C 13 40.96200553 0 . . . . . . . 222 CYS CB . 52243 2 945 . 2 . 2 222 222 CYS N N 15 122.8080446 0.01714549354 . . . . . . . 222 CYS N . 52243 2 946 . 2 . 2 223 223 ASP H H 1 8.396118481 0.001835394982 . . . . . . . 223 ASP H . 52243 2 947 . 2 . 2 223 223 ASP C C 13 176.165264 0 . . . . . . . 223 ASP C . 52243 2 948 . 2 . 2 223 223 ASP CA C 13 54.1148895 0 . . . . . . . 223 ASP CA . 52243 2 949 . 2 . 2 223 223 ASP CB C 13 40.81378308 0 . . . . . . . 223 ASP CB . 52243 2 950 . 2 . 2 223 223 ASP N N 15 122.7259442 0.02570230741 . . . . . . . 223 ASP N . 52243 2 951 . 2 . 2 224 224 LYS H H 1 8.25705292 0.002400161449 . . . . . . . 224 LYS H . 52243 2 952 . 2 . 2 224 224 LYS C C 13 176.9097261 0 . . . . . . . 224 LYS C . 52243 2 953 . 2 . 2 224 224 LYS CA C 13 55.96057567 0 . . . . . . . 224 LYS CA . 52243 2 954 . 2 . 2 224 224 LYS CB C 13 31.89652609 0 . . . . . . . 224 LYS CB . 52243 2 955 . 2 . 2 224 224 LYS N N 15 122.1486987 0.01705156674 . . . . . . . 224 LYS N . 52243 2 956 . 2 . 2 225 225 THR H H 1 8.125048766 0.002921798128 . . . . . . . 225 THR H . 52243 2 957 . 2 . 2 225 225 THR C C 13 174.3428867 0 . . . . . . . 225 THR C . 52243 2 958 . 2 . 2 225 225 THR CA C 13 61.89409597 0 . . . . . . . 225 THR CA . 52243 2 959 . 2 . 2 225 225 THR CB C 13 69.38363013 0 . . . . . . . 225 THR CB . 52243 2 960 . 2 . 2 225 225 THR N N 15 114.8395785 0.05209279456 . . . . . . . 225 THR N . 52243 2 961 . 2 . 2 226 226 HIS H H 1 8.235123295 0.003291637955 . . . . . . . 226 HIS H . 52243 2 962 . 2 . 2 226 226 HIS C C 13 173.9495257 0 . . . . . . . 226 HIS C . 52243 2 963 . 2 . 2 226 226 HIS CA C 13 55.17665403 0 . . . . . . . 226 HIS CA . 52243 2 964 . 2 . 2 226 226 HIS CB C 13 29.03262478 0 . . . . . . . 226 HIS CB . 52243 2 965 . 2 . 2 226 226 HIS N N 15 121.1981203 0.09428660461 . . . . . . . 226 HIS N . 52243 2 966 . 2 . 2 227 227 THR H H 1 7.889028739 0.01221996875 . . . . . . . 227 THR H . 52243 2 967 . 2 . 2 227 227 THR C C 13 179.3506687 0 . . . . . . . 227 THR C . 52243 2 968 . 2 . 2 227 227 THR CA C 13 62.96311045 0 . . . . . . . 227 THR CA . 52243 2 969 . 2 . 2 227 227 THR CB C 13 70.12070245 0 . . . . . . . 227 THR CB . 52243 2 970 . 2 . 2 227 227 THR N N 15 121.0382276 0.01252435321 . . . . . . . 227 THR N . 52243 2 stop_ save_