data_51696 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51696 _Entry.Title ; Backbone chemical shift assignment of yeast expressed NIST-Fab light and heavy chain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-11-15 _Entry.Accession_date 2022-11-15 _Entry.Last_release_date 2022-11-15 _Entry.Original_release_date 2022-11-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tsega Solomon . L. . 0000-0003-1242-2297 51696 2 Robert Brinson . G. . 0000-0001-5424-990X 51696 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Institute of Standards and Technology' . 51696 2 . 'Institute for Bioscience and Biotechnology Research' . 51696 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 51696 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1231 51696 '15N chemical shifts' 398 51696 '1H chemical shifts' 398 51696 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-06-26 2022-11-15 update BMRB 'update entry citation' 51696 1 . . 2023-03-01 2022-11-15 original author 'original release' 51696 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51696 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36856943 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone NMR assignment of the yeast expressed Fab fragment of the NISTmAb reference antibody ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 75 _Citation.Page_last 81 _Citation.Year 2023 _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 Tsega Solomon . L. . . 51696 1 2 Kinlin Chao . . . . 51696 1 3 Genevieve Gingras . . . . 51696 1 4 Yves Aubin . . . . 51696 1 5 'W. Brad' O'Dell . . . . 51696 1 6 John Marino . P. . . 51696 1 7 Robert Brinson . G. . . 51696 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51696 _Assembly.ID 1 _Assembly.Name NIST-Fab _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NIST-Fab, Chain 1' 1 $entity_1 . . yes native no no . . . 51696 1 2 'NIST-Fab, Chain 2' 2 $entity_2 . . yes native no no . . . 51696 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 27 27 SG . 1 . 1 CYS 91 91 SG . . . 23 CYS SG . . . 87 CYS SG 51696 1 2 disulfide single . 1 . 1 CYS 137 137 SG . 1 . 1 CYS 197 197 SG . . . 133 CYS SG . . . 193 CYS SG 51696 1 3 disulfide single . 2 . 2 CYS 26 26 SG . 2 . 2 CYS 101 101 SG . . . 22 CYS SG . . . 97 CYS SG 51696 1 4 disulfide single . 2 . 2 CYS 151 151 SG . 2 . 2 CYS 207 207 SG . . . 147 CYS SG . . . 203 CYS SG 51696 1 5 disulfide single . 1 . 1 CYS 217 217 SG . 2 . 2 CYS 227 227 SG . . . 213 CYS SG . . . 223 CYS SG 51696 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51696 _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 ; EAEADIQMTQSPSTLSASVG DRVTITCSASSRVGYMHWYQ QKPGKAPKLLIYDTSKLASG VPSRFSGSGSGTEFTLTISS LQPDDFATYYCFQGSGYPFT FGGGTKVEIKRTVAAPSVFI FPPSDEQLKSGTASVVCLLN NFYPREAKVQWKVDNALQSG NSQESVTEQDSKDSTYSLSS TLTLSKADYEKHKVYACEVT HQGLSSPVTKSFNRGEC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 begins at D' _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 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 -3 GLU . 51696 1 2 -2 ALA . 51696 1 3 -1 GLU . 51696 1 4 0 ALA . 51696 1 5 1 ASP . 51696 1 6 2 ILE . 51696 1 7 3 GLN . 51696 1 8 4 MET . 51696 1 9 5 THR . 51696 1 10 6 GLN . 51696 1 11 7 SER . 51696 1 12 8 PRO . 51696 1 13 9 SER . 51696 1 14 10 THR . 51696 1 15 11 LEU . 51696 1 16 12 SER . 51696 1 17 13 ALA . 51696 1 18 14 SER . 51696 1 19 15 VAL . 51696 1 20 16 GLY . 51696 1 21 17 ASP . 51696 1 22 18 ARG . 51696 1 23 19 VAL . 51696 1 24 20 THR . 51696 1 25 21 ILE . 51696 1 26 22 THR . 51696 1 27 23 CYS . 51696 1 28 24 SER . 51696 1 29 25 ALA . 51696 1 30 26 SER . 51696 1 31 27 SER . 51696 1 32 28 ARG . 51696 1 33 29 VAL . 51696 1 34 30 GLY . 51696 1 35 31 TYR . 51696 1 36 32 MET . 51696 1 37 33 HIS . 51696 1 38 34 TRP . 51696 1 39 35 TYR . 51696 1 40 36 GLN . 51696 1 41 37 GLN . 51696 1 42 38 LYS . 51696 1 43 39 PRO . 51696 1 44 40 GLY . 51696 1 45 41 LYS . 51696 1 46 42 ALA . 51696 1 47 43 PRO . 51696 1 48 44 LYS . 51696 1 49 45 LEU . 51696 1 50 46 LEU . 51696 1 51 47 ILE . 51696 1 52 48 TYR . 51696 1 53 49 ASP . 51696 1 54 50 THR . 51696 1 55 51 SER . 51696 1 56 52 LYS . 51696 1 57 53 LEU . 51696 1 58 54 ALA . 51696 1 59 55 SER . 51696 1 60 56 GLY . 51696 1 61 57 VAL . 51696 1 62 58 PRO . 51696 1 63 59 SER . 51696 1 64 60 ARG . 51696 1 65 61 PHE . 51696 1 66 62 SER . 51696 1 67 63 GLY . 51696 1 68 64 SER . 51696 1 69 65 GLY . 51696 1 70 66 SER . 51696 1 71 67 GLY . 51696 1 72 68 THR . 51696 1 73 69 GLU . 51696 1 74 70 PHE . 51696 1 75 71 THR . 51696 1 76 72 LEU . 51696 1 77 73 THR . 51696 1 78 74 ILE . 51696 1 79 75 SER . 51696 1 80 76 SER . 51696 1 81 77 LEU . 51696 1 82 78 GLN . 51696 1 83 79 PRO . 51696 1 84 80 ASP . 51696 1 85 81 ASP . 51696 1 86 82 PHE . 51696 1 87 83 ALA . 51696 1 88 84 THR . 51696 1 89 85 TYR . 51696 1 90 86 TYR . 51696 1 91 87 CYS . 51696 1 92 88 PHE . 51696 1 93 89 GLN . 51696 1 94 90 GLY . 51696 1 95 91 SER . 51696 1 96 92 GLY . 51696 1 97 93 TYR . 51696 1 98 94 PRO . 51696 1 99 95 PHE . 51696 1 100 96 THR . 51696 1 101 97 PHE . 51696 1 102 98 GLY . 51696 1 103 99 GLY . 51696 1 104 100 GLY . 51696 1 105 101 THR . 51696 1 106 102 LYS . 51696 1 107 103 VAL . 51696 1 108 104 GLU . 51696 1 109 105 ILE . 51696 1 110 106 LYS . 51696 1 111 107 ARG . 51696 1 112 108 THR . 51696 1 113 109 VAL . 51696 1 114 110 ALA . 51696 1 115 111 ALA . 51696 1 116 112 PRO . 51696 1 117 113 SER . 51696 1 118 114 VAL . 51696 1 119 115 PHE . 51696 1 120 116 ILE . 51696 1 121 117 PHE . 51696 1 122 118 PRO . 51696 1 123 119 PRO . 51696 1 124 120 SER . 51696 1 125 121 ASP . 51696 1 126 122 GLU . 51696 1 127 123 GLN . 51696 1 128 124 LEU . 51696 1 129 125 LYS . 51696 1 130 126 SER . 51696 1 131 127 GLY . 51696 1 132 128 THR . 51696 1 133 129 ALA . 51696 1 134 130 SER . 51696 1 135 131 VAL . 51696 1 136 132 VAL . 51696 1 137 133 CYS . 51696 1 138 134 LEU . 51696 1 139 135 LEU . 51696 1 140 136 ASN . 51696 1 141 137 ASN . 51696 1 142 138 PHE . 51696 1 143 139 TYR . 51696 1 144 140 PRO . 51696 1 145 141 ARG . 51696 1 146 142 GLU . 51696 1 147 143 ALA . 51696 1 148 144 LYS . 51696 1 149 145 VAL . 51696 1 150 146 GLN . 51696 1 151 147 TRP . 51696 1 152 148 LYS . 51696 1 153 149 VAL . 51696 1 154 150 ASP . 51696 1 155 151 ASN . 51696 1 156 152 ALA . 51696 1 157 153 LEU . 51696 1 158 154 GLN . 51696 1 159 155 SER . 51696 1 160 156 GLY . 51696 1 161 157 ASN . 51696 1 162 158 SER . 51696 1 163 159 GLN . 51696 1 164 160 GLU . 51696 1 165 161 SER . 51696 1 166 162 VAL . 51696 1 167 163 THR . 51696 1 168 164 GLU . 51696 1 169 165 GLN . 51696 1 170 166 ASP . 51696 1 171 167 SER . 51696 1 172 168 LYS . 51696 1 173 169 ASP . 51696 1 174 170 SER . 51696 1 175 171 THR . 51696 1 176 172 TYR . 51696 1 177 173 SER . 51696 1 178 174 LEU . 51696 1 179 175 SER . 51696 1 180 176 SER . 51696 1 181 177 THR . 51696 1 182 178 LEU . 51696 1 183 179 THR . 51696 1 184 180 LEU . 51696 1 185 181 SER . 51696 1 186 182 LYS . 51696 1 187 183 ALA . 51696 1 188 184 ASP . 51696 1 189 185 TYR . 51696 1 190 186 GLU . 51696 1 191 187 LYS . 51696 1 192 188 HIS . 51696 1 193 189 LYS . 51696 1 194 190 VAL . 51696 1 195 191 TYR . 51696 1 196 192 ALA . 51696 1 197 193 CYS . 51696 1 198 194 GLU . 51696 1 199 195 VAL . 51696 1 200 196 THR . 51696 1 201 197 HIS . 51696 1 202 198 GLN . 51696 1 203 199 GLY . 51696 1 204 200 LEU . 51696 1 205 201 SER . 51696 1 206 202 SER . 51696 1 207 203 PRO . 51696 1 208 204 VAL . 51696 1 209 205 THR . 51696 1 210 206 LYS . 51696 1 211 207 SER . 51696 1 212 208 PHE . 51696 1 213 209 ASN . 51696 1 214 210 ARG . 51696 1 215 211 GLY . 51696 1 216 212 GLU . 51696 1 217 213 CYS . 51696 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 . GLU 1 1 51696 1 . ALA 2 2 51696 1 . GLU 3 3 51696 1 . ALA 4 4 51696 1 . ASP 5 5 51696 1 . ILE 6 6 51696 1 . GLN 7 7 51696 1 . MET 8 8 51696 1 . THR 9 9 51696 1 . GLN 10 10 51696 1 . SER 11 11 51696 1 . PRO 12 12 51696 1 . SER 13 13 51696 1 . THR 14 14 51696 1 . LEU 15 15 51696 1 . SER 16 16 51696 1 . ALA 17 17 51696 1 . SER 18 18 51696 1 . VAL 19 19 51696 1 . GLY 20 20 51696 1 . ASP 21 21 51696 1 . ARG 22 22 51696 1 . VAL 23 23 51696 1 . THR 24 24 51696 1 . ILE 25 25 51696 1 . THR 26 26 51696 1 . CYS 27 27 51696 1 . SER 28 28 51696 1 . ALA 29 29 51696 1 . SER 30 30 51696 1 . SER 31 31 51696 1 . ARG 32 32 51696 1 . VAL 33 33 51696 1 . GLY 34 34 51696 1 . TYR 35 35 51696 1 . MET 36 36 51696 1 . HIS 37 37 51696 1 . TRP 38 38 51696 1 . TYR 39 39 51696 1 . GLN 40 40 51696 1 . GLN 41 41 51696 1 . LYS 42 42 51696 1 . PRO 43 43 51696 1 . GLY 44 44 51696 1 . LYS 45 45 51696 1 . ALA 46 46 51696 1 . PRO 47 47 51696 1 . LYS 48 48 51696 1 . LEU 49 49 51696 1 . LEU 50 50 51696 1 . ILE 51 51 51696 1 . TYR 52 52 51696 1 . ASP 53 53 51696 1 . THR 54 54 51696 1 . SER 55 55 51696 1 . LYS 56 56 51696 1 . LEU 57 57 51696 1 . ALA 58 58 51696 1 . SER 59 59 51696 1 . GLY 60 60 51696 1 . VAL 61 61 51696 1 . PRO 62 62 51696 1 . SER 63 63 51696 1 . ARG 64 64 51696 1 . PHE 65 65 51696 1 . SER 66 66 51696 1 . GLY 67 67 51696 1 . SER 68 68 51696 1 . GLY 69 69 51696 1 . SER 70 70 51696 1 . GLY 71 71 51696 1 . THR 72 72 51696 1 . GLU 73 73 51696 1 . PHE 74 74 51696 1 . THR 75 75 51696 1 . LEU 76 76 51696 1 . THR 77 77 51696 1 . ILE 78 78 51696 1 . SER 79 79 51696 1 . SER 80 80 51696 1 . LEU 81 81 51696 1 . GLN 82 82 51696 1 . PRO 83 83 51696 1 . ASP 84 84 51696 1 . ASP 85 85 51696 1 . PHE 86 86 51696 1 . ALA 87 87 51696 1 . THR 88 88 51696 1 . TYR 89 89 51696 1 . TYR 90 90 51696 1 . CYS 91 91 51696 1 . PHE 92 92 51696 1 . GLN 93 93 51696 1 . GLY 94 94 51696 1 . SER 95 95 51696 1 . GLY 96 96 51696 1 . TYR 97 97 51696 1 . PRO 98 98 51696 1 . PHE 99 99 51696 1 . THR 100 100 51696 1 . PHE 101 101 51696 1 . GLY 102 102 51696 1 . GLY 103 103 51696 1 . GLY 104 104 51696 1 . THR 105 105 51696 1 . LYS 106 106 51696 1 . VAL 107 107 51696 1 . GLU 108 108 51696 1 . ILE 109 109 51696 1 . LYS 110 110 51696 1 . ARG 111 111 51696 1 . THR 112 112 51696 1 . VAL 113 113 51696 1 . ALA 114 114 51696 1 . ALA 115 115 51696 1 . PRO 116 116 51696 1 . SER 117 117 51696 1 . VAL 118 118 51696 1 . PHE 119 119 51696 1 . ILE 120 120 51696 1 . PHE 121 121 51696 1 . PRO 122 122 51696 1 . PRO 123 123 51696 1 . SER 124 124 51696 1 . ASP 125 125 51696 1 . GLU 126 126 51696 1 . GLN 127 127 51696 1 . LEU 128 128 51696 1 . LYS 129 129 51696 1 . SER 130 130 51696 1 . GLY 131 131 51696 1 . THR 132 132 51696 1 . ALA 133 133 51696 1 . SER 134 134 51696 1 . VAL 135 135 51696 1 . VAL 136 136 51696 1 . CYS 137 137 51696 1 . LEU 138 138 51696 1 . LEU 139 139 51696 1 . ASN 140 140 51696 1 . ASN 141 141 51696 1 . PHE 142 142 51696 1 . TYR 143 143 51696 1 . PRO 144 144 51696 1 . ARG 145 145 51696 1 . GLU 146 146 51696 1 . ALA 147 147 51696 1 . LYS 148 148 51696 1 . VAL 149 149 51696 1 . GLN 150 150 51696 1 . TRP 151 151 51696 1 . LYS 152 152 51696 1 . VAL 153 153 51696 1 . ASP 154 154 51696 1 . ASN 155 155 51696 1 . ALA 156 156 51696 1 . LEU 157 157 51696 1 . GLN 158 158 51696 1 . SER 159 159 51696 1 . GLY 160 160 51696 1 . ASN 161 161 51696 1 . SER 162 162 51696 1 . GLN 163 163 51696 1 . GLU 164 164 51696 1 . SER 165 165 51696 1 . VAL 166 166 51696 1 . THR 167 167 51696 1 . GLU 168 168 51696 1 . GLN 169 169 51696 1 . ASP 170 170 51696 1 . SER 171 171 51696 1 . LYS 172 172 51696 1 . ASP 173 173 51696 1 . SER 174 174 51696 1 . THR 175 175 51696 1 . TYR 176 176 51696 1 . SER 177 177 51696 1 . LEU 178 178 51696 1 . SER 179 179 51696 1 . SER 180 180 51696 1 . THR 181 181 51696 1 . LEU 182 182 51696 1 . THR 183 183 51696 1 . LEU 184 184 51696 1 . SER 185 185 51696 1 . LYS 186 186 51696 1 . ALA 187 187 51696 1 . ASP 188 188 51696 1 . TYR 189 189 51696 1 . GLU 190 190 51696 1 . LYS 191 191 51696 1 . HIS 192 192 51696 1 . LYS 193 193 51696 1 . VAL 194 194 51696 1 . TYR 195 195 51696 1 . ALA 196 196 51696 1 . CYS 197 197 51696 1 . GLU 198 198 51696 1 . VAL 199 199 51696 1 . THR 200 200 51696 1 . HIS 201 201 51696 1 . GLN 202 202 51696 1 . GLY 203 203 51696 1 . LEU 204 204 51696 1 . SER 205 205 51696 1 . SER 206 206 51696 1 . PRO 207 207 51696 1 . VAL 208 208 51696 1 . THR 209 209 51696 1 . LYS 210 210 51696 1 . SER 211 211 51696 1 . PHE 212 212 51696 1 . ASN 213 213 51696 1 . ARG 214 214 51696 1 . GLY 215 215 51696 1 . GLU 216 216 51696 1 . CYS 217 217 51696 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51696 _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 ; EAEAQVTLRESGPALVKPTQ TLTLTCTFSGFSLSTAGMSV GWIRQPPGKALEWLADIWWD DKKHYNPSLKDRLTISKDTS KNQVVLKVTNMDPADTATYY CARDMIFNFYFDVWGQGTTV TVSSASTKGPSVFPLAPSSK STSGGTAALGCLVKDYFPEP VTVSWNSGALTSGVHTFPAV LQSSGLYSLSSVVTVPSSSL GTQTYICNVNHKPSNTKVDK RVEPKSCDKTH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 begins at Q' _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 231 _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 -3 GLU . 51696 2 2 -2 ALA . 51696 2 3 -1 GLU . 51696 2 4 0 ALA . 51696 2 5 1 GLN . 51696 2 6 2 VAL . 51696 2 7 3 THR . 51696 2 8 4 LEU . 51696 2 9 5 ARG . 51696 2 10 6 GLU . 51696 2 11 7 SER . 51696 2 12 8 GLY . 51696 2 13 9 PRO . 51696 2 14 10 ALA . 51696 2 15 11 LEU . 51696 2 16 12 VAL . 51696 2 17 13 LYS . 51696 2 18 14 PRO . 51696 2 19 15 THR . 51696 2 20 16 GLN . 51696 2 21 17 THR . 51696 2 22 18 LEU . 51696 2 23 19 THR . 51696 2 24 20 LEU . 51696 2 25 21 THR . 51696 2 26 22 CYS . 51696 2 27 23 THR . 51696 2 28 24 PHE . 51696 2 29 25 SER . 51696 2 30 26 GLY . 51696 2 31 27 PHE . 51696 2 32 28 SER . 51696 2 33 29 LEU . 51696 2 34 30 SER . 51696 2 35 31 THR . 51696 2 36 32 ALA . 51696 2 37 33 GLY . 51696 2 38 34 MET . 51696 2 39 35 SER . 51696 2 40 36 VAL . 51696 2 41 37 GLY . 51696 2 42 38 TRP . 51696 2 43 39 ILE . 51696 2 44 40 ARG . 51696 2 45 41 GLN . 51696 2 46 42 PRO . 51696 2 47 43 PRO . 51696 2 48 44 GLY . 51696 2 49 45 LYS . 51696 2 50 46 ALA . 51696 2 51 47 LEU . 51696 2 52 48 GLU . 51696 2 53 49 TRP . 51696 2 54 50 LEU . 51696 2 55 51 ALA . 51696 2 56 52 ASP . 51696 2 57 53 ILE . 51696 2 58 54 TRP . 51696 2 59 55 TRP . 51696 2 60 56 ASP . 51696 2 61 57 ASP . 51696 2 62 58 LYS . 51696 2 63 59 LYS . 51696 2 64 60 HIS . 51696 2 65 61 TYR . 51696 2 66 62 ASN . 51696 2 67 63 PRO . 51696 2 68 64 SER . 51696 2 69 65 LEU . 51696 2 70 66 LYS . 51696 2 71 67 ASP . 51696 2 72 68 ARG . 51696 2 73 69 LEU . 51696 2 74 70 THR . 51696 2 75 71 ILE . 51696 2 76 72 SER . 51696 2 77 73 LYS . 51696 2 78 74 ASP . 51696 2 79 75 THR . 51696 2 80 76 SER . 51696 2 81 77 LYS . 51696 2 82 78 ASN . 51696 2 83 79 GLN . 51696 2 84 80 VAL . 51696 2 85 81 VAL . 51696 2 86 82 LEU . 51696 2 87 83 LYS . 51696 2 88 84 VAL . 51696 2 89 85 THR . 51696 2 90 86 ASN . 51696 2 91 87 MET . 51696 2 92 88 ASP . 51696 2 93 89 PRO . 51696 2 94 90 ALA . 51696 2 95 91 ASP . 51696 2 96 92 THR . 51696 2 97 93 ALA . 51696 2 98 94 THR . 51696 2 99 95 TYR . 51696 2 100 96 TYR . 51696 2 101 97 CYS . 51696 2 102 98 ALA . 51696 2 103 99 ARG . 51696 2 104 100 ASP . 51696 2 105 101 MET . 51696 2 106 102 ILE . 51696 2 107 103 PHE . 51696 2 108 104 ASN . 51696 2 109 105 PHE . 51696 2 110 106 TYR . 51696 2 111 107 PHE . 51696 2 112 108 ASP . 51696 2 113 109 VAL . 51696 2 114 110 TRP . 51696 2 115 111 GLY . 51696 2 116 112 GLN . 51696 2 117 113 GLY . 51696 2 118 114 THR . 51696 2 119 115 THR . 51696 2 120 116 VAL . 51696 2 121 117 THR . 51696 2 122 118 VAL . 51696 2 123 119 SER . 51696 2 124 120 SER . 51696 2 125 121 ALA . 51696 2 126 122 SER . 51696 2 127 123 THR . 51696 2 128 124 LYS . 51696 2 129 125 GLY . 51696 2 130 126 PRO . 51696 2 131 127 SER . 51696 2 132 128 VAL . 51696 2 133 129 PHE . 51696 2 134 130 PRO . 51696 2 135 131 LEU . 51696 2 136 132 ALA . 51696 2 137 133 PRO . 51696 2 138 134 SER . 51696 2 139 135 SER . 51696 2 140 136 LYS . 51696 2 141 137 SER . 51696 2 142 138 THR . 51696 2 143 139 SER . 51696 2 144 140 GLY . 51696 2 145 141 GLY . 51696 2 146 142 THR . 51696 2 147 143 ALA . 51696 2 148 144 ALA . 51696 2 149 145 LEU . 51696 2 150 146 GLY . 51696 2 151 147 CYS . 51696 2 152 148 LEU . 51696 2 153 149 VAL . 51696 2 154 150 LYS . 51696 2 155 151 ASP . 51696 2 156 152 TYR . 51696 2 157 153 PHE . 51696 2 158 154 PRO . 51696 2 159 155 GLU . 51696 2 160 156 PRO . 51696 2 161 157 VAL . 51696 2 162 158 THR . 51696 2 163 159 VAL . 51696 2 164 160 SER . 51696 2 165 161 TRP . 51696 2 166 162 ASN . 51696 2 167 163 SER . 51696 2 168 164 GLY . 51696 2 169 165 ALA . 51696 2 170 166 LEU . 51696 2 171 167 THR . 51696 2 172 168 SER . 51696 2 173 169 GLY . 51696 2 174 170 VAL . 51696 2 175 171 HIS . 51696 2 176 172 THR . 51696 2 177 173 PHE . 51696 2 178 174 PRO . 51696 2 179 175 ALA . 51696 2 180 176 VAL . 51696 2 181 177 LEU . 51696 2 182 178 GLN . 51696 2 183 179 SER . 51696 2 184 180 SER . 51696 2 185 181 GLY . 51696 2 186 182 LEU . 51696 2 187 183 TYR . 51696 2 188 184 SER . 51696 2 189 185 LEU . 51696 2 190 186 SER . 51696 2 191 187 SER . 51696 2 192 188 VAL . 51696 2 193 189 VAL . 51696 2 194 190 THR . 51696 2 195 191 VAL . 51696 2 196 192 PRO . 51696 2 197 193 SER . 51696 2 198 194 SER . 51696 2 199 195 SER . 51696 2 200 196 LEU . 51696 2 201 197 GLY . 51696 2 202 198 THR . 51696 2 203 199 GLN . 51696 2 204 200 THR . 51696 2 205 201 TYR . 51696 2 206 202 ILE . 51696 2 207 203 CYS . 51696 2 208 204 ASN . 51696 2 209 205 VAL . 51696 2 210 206 ASN . 51696 2 211 207 HIS . 51696 2 212 208 LYS . 51696 2 213 209 PRO . 51696 2 214 210 SER . 51696 2 215 211 ASN . 51696 2 216 212 THR . 51696 2 217 213 LYS . 51696 2 218 214 VAL . 51696 2 219 215 ASP . 51696 2 220 216 LYS . 51696 2 221 217 ARG . 51696 2 222 218 VAL . 51696 2 223 219 GLU . 51696 2 224 220 PRO . 51696 2 225 221 LYS . 51696 2 226 222 SER . 51696 2 227 223 CYS . 51696 2 228 224 ASP . 51696 2 229 225 LYS . 51696 2 230 226 THR . 51696 2 231 227 HIS . 51696 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 . GLU 1 1 51696 2 . ALA 2 2 51696 2 . GLU 3 3 51696 2 . ALA 4 4 51696 2 . GLN 5 5 51696 2 . VAL 6 6 51696 2 . THR 7 7 51696 2 . LEU 8 8 51696 2 . ARG 9 9 51696 2 . GLU 10 10 51696 2 . SER 11 11 51696 2 . GLY 12 12 51696 2 . PRO 13 13 51696 2 . ALA 14 14 51696 2 . LEU 15 15 51696 2 . VAL 16 16 51696 2 . LYS 17 17 51696 2 . PRO 18 18 51696 2 . THR 19 19 51696 2 . GLN 20 20 51696 2 . THR 21 21 51696 2 . LEU 22 22 51696 2 . THR 23 23 51696 2 . LEU 24 24 51696 2 . THR 25 25 51696 2 . CYS 26 26 51696 2 . THR 27 27 51696 2 . PHE 28 28 51696 2 . SER 29 29 51696 2 . GLY 30 30 51696 2 . PHE 31 31 51696 2 . SER 32 32 51696 2 . LEU 33 33 51696 2 . SER 34 34 51696 2 . THR 35 35 51696 2 . ALA 36 36 51696 2 . GLY 37 37 51696 2 . MET 38 38 51696 2 . SER 39 39 51696 2 . VAL 40 40 51696 2 . GLY 41 41 51696 2 . TRP 42 42 51696 2 . ILE 43 43 51696 2 . ARG 44 44 51696 2 . GLN 45 45 51696 2 . PRO 46 46 51696 2 . PRO 47 47 51696 2 . GLY 48 48 51696 2 . LYS 49 49 51696 2 . ALA 50 50 51696 2 . LEU 51 51 51696 2 . GLU 52 52 51696 2 . TRP 53 53 51696 2 . LEU 54 54 51696 2 . ALA 55 55 51696 2 . ASP 56 56 51696 2 . ILE 57 57 51696 2 . TRP 58 58 51696 2 . TRP 59 59 51696 2 . ASP 60 60 51696 2 . ASP 61 61 51696 2 . LYS 62 62 51696 2 . LYS 63 63 51696 2 . HIS 64 64 51696 2 . TYR 65 65 51696 2 . ASN 66 66 51696 2 . PRO 67 67 51696 2 . SER 68 68 51696 2 . LEU 69 69 51696 2 . LYS 70 70 51696 2 . ASP 71 71 51696 2 . ARG 72 72 51696 2 . LEU 73 73 51696 2 . THR 74 74 51696 2 . ILE 75 75 51696 2 . SER 76 76 51696 2 . LYS 77 77 51696 2 . ASP 78 78 51696 2 . THR 79 79 51696 2 . SER 80 80 51696 2 . LYS 81 81 51696 2 . ASN 82 82 51696 2 . GLN 83 83 51696 2 . VAL 84 84 51696 2 . VAL 85 85 51696 2 . LEU 86 86 51696 2 . LYS 87 87 51696 2 . VAL 88 88 51696 2 . THR 89 89 51696 2 . ASN 90 90 51696 2 . MET 91 91 51696 2 . ASP 92 92 51696 2 . PRO 93 93 51696 2 . ALA 94 94 51696 2 . ASP 95 95 51696 2 . THR 96 96 51696 2 . ALA 97 97 51696 2 . THR 98 98 51696 2 . TYR 99 99 51696 2 . TYR 100 100 51696 2 . CYS 101 101 51696 2 . ALA 102 102 51696 2 . ARG 103 103 51696 2 . ASP 104 104 51696 2 . MET 105 105 51696 2 . ILE 106 106 51696 2 . PHE 107 107 51696 2 . ASN 108 108 51696 2 . PHE 109 109 51696 2 . TYR 110 110 51696 2 . PHE 111 111 51696 2 . ASP 112 112 51696 2 . VAL 113 113 51696 2 . TRP 114 114 51696 2 . GLY 115 115 51696 2 . GLN 116 116 51696 2 . GLY 117 117 51696 2 . THR 118 118 51696 2 . THR 119 119 51696 2 . VAL 120 120 51696 2 . THR 121 121 51696 2 . VAL 122 122 51696 2 . SER 123 123 51696 2 . SER 124 124 51696 2 . ALA 125 125 51696 2 . SER 126 126 51696 2 . THR 127 127 51696 2 . LYS 128 128 51696 2 . GLY 129 129 51696 2 . PRO 130 130 51696 2 . SER 131 131 51696 2 . VAL 132 132 51696 2 . PHE 133 133 51696 2 . PRO 134 134 51696 2 . LEU 135 135 51696 2 . ALA 136 136 51696 2 . PRO 137 137 51696 2 . SER 138 138 51696 2 . SER 139 139 51696 2 . LYS 140 140 51696 2 . SER 141 141 51696 2 . THR 142 142 51696 2 . SER 143 143 51696 2 . GLY 144 144 51696 2 . GLY 145 145 51696 2 . THR 146 146 51696 2 . ALA 147 147 51696 2 . ALA 148 148 51696 2 . LEU 149 149 51696 2 . GLY 150 150 51696 2 . CYS 151 151 51696 2 . LEU 152 152 51696 2 . VAL 153 153 51696 2 . LYS 154 154 51696 2 . ASP 155 155 51696 2 . TYR 156 156 51696 2 . PHE 157 157 51696 2 . PRO 158 158 51696 2 . GLU 159 159 51696 2 . PRO 160 160 51696 2 . VAL 161 161 51696 2 . THR 162 162 51696 2 . VAL 163 163 51696 2 . SER 164 164 51696 2 . TRP 165 165 51696 2 . ASN 166 166 51696 2 . SER 167 167 51696 2 . GLY 168 168 51696 2 . ALA 169 169 51696 2 . LEU 170 170 51696 2 . THR 171 171 51696 2 . SER 172 172 51696 2 . GLY 173 173 51696 2 . VAL 174 174 51696 2 . HIS 175 175 51696 2 . THR 176 176 51696 2 . PHE 177 177 51696 2 . PRO 178 178 51696 2 . ALA 179 179 51696 2 . VAL 180 180 51696 2 . LEU 181 181 51696 2 . GLN 182 182 51696 2 . SER 183 183 51696 2 . SER 184 184 51696 2 . GLY 185 185 51696 2 . LEU 186 186 51696 2 . TYR 187 187 51696 2 . SER 188 188 51696 2 . LEU 189 189 51696 2 . SER 190 190 51696 2 . SER 191 191 51696 2 . VAL 192 192 51696 2 . VAL 193 193 51696 2 . THR 194 194 51696 2 . VAL 195 195 51696 2 . PRO 196 196 51696 2 . SER 197 197 51696 2 . SER 198 198 51696 2 . SER 199 199 51696 2 . LEU 200 200 51696 2 . GLY 201 201 51696 2 . THR 202 202 51696 2 . GLN 203 203 51696 2 . THR 204 204 51696 2 . TYR 205 205 51696 2 . ILE 206 206 51696 2 . CYS 207 207 51696 2 . ASN 208 208 51696 2 . VAL 209 209 51696 2 . ASN 210 210 51696 2 . HIS 211 211 51696 2 . LYS 212 212 51696 2 . PRO 213 213 51696 2 . SER 214 214 51696 2 . ASN 215 215 51696 2 . THR 216 216 51696 2 . LYS 217 217 51696 2 . VAL 218 218 51696 2 . ASP 219 219 51696 2 . LYS 220 220 51696 2 . ARG 221 221 51696 2 . VAL 222 222 51696 2 . GLU 223 223 51696 2 . PRO 224 224 51696 2 . LYS 225 225 51696 2 . SER 226 226 51696 2 . CYS 227 227 51696 2 . ASP 228 228 51696 2 . LYS 229 229 51696 2 . THR 230 230 51696 2 . HIS 231 231 51696 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 51696 _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 . . . . . . . . . . . . . 51696 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51696 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 51696 _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 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . plasmid . . pPICZ-A . . . 51696 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51696 _Sample.ID 1 _Sample.Name NIST-Fab-DCN _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% 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 'Chain 1' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 2.65 0.3 5 mM . . . . 51696 1 2 'Chain 2' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 2.65 0.3 5 mM . . . . 51696 1 3 Bis-Tris 'natural abundance' . . . . . . 25 . . mM . . . . 51696 1 4 DSS [U-2H] . . . . . . 150 . . uM . . . . 51696 1 5 D2O '[U-100% 2H]' . . . . . . 3 . . % . . . . 51696 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 51696 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR Experiments' _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' 0.025 . M 51696 1 pH 6 . pH 51696 1 pressure 1 . atm 51696 1 temperature 310 . K 51696 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51696 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51696 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51696 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51696 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51696 _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 . 51696 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 51696 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 900 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51696 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III 600 MHz spectrometer' _NMR_spectrometer.Details . _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 51696 _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' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51696 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51696 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51696 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51696 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51696 1 6 '3D (H)N(CA)NNH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51696 1 7 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51696 1 8 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51696 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 51696 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 . . . . . 51696 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51696 1 N 15 na 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51696 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_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 51696 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NIST-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' . . . 51696 1 2 '3D HNCACB' . . . 51696 1 3 '3D HNCA' . . . 51696 1 4 '3D HNCO' . . . 51696 1 5 '3D HN(CA)CO' . . . 51696 1 6 '3D (H)N(CA)NNH' . . . 51696 1 7 '3D HN(CO)CACB' . . . 51696 1 8 '3D HN(CO)CA' . . . 51696 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 2 $software_2 . . 51696 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 2 2 ALA C C 13 177.781 0.003 . 1 . . . . . -2 ALA CO . 51696 1 2 . 1 . 1 2 2 ALA CA C 13 52.264 0.036 . 1 . . . . . -2 ALA CA . 51696 1 3 . 1 . 1 2 2 ALA CB C 13 18.37 0.06 . 1 . . . . . -2 ALA CB . 51696 1 4 . 1 . 1 3 3 GLU H H 1 8.431 0.003 . 1 . . . . . -1 GLU HN . 51696 1 5 . 1 . 1 3 3 GLU C C 13 176.591 0 . 1 . . . . . -1 GLU CO . 51696 1 6 . 1 . 1 3 3 GLU CA C 13 56.304 0.05 . 1 . . . . . -1 GLU CA . 51696 1 7 . 1 . 1 3 3 GLU CB C 13 29.452 0.052 . 1 . . . . . -1 GLU CB . 51696 1 8 . 1 . 1 3 3 GLU N N 15 121.254 0.059 . 1 . . . . . -1 GLU N . 51696 1 9 . 1 . 1 4 4 ALA H H 1 8.269 0.003 . 1 . . . . . 0 ALA HN . 51696 1 10 . 1 . 1 4 4 ALA C C 13 176.613 0.023 . 1 . . . . . 0 ALA CO . 51696 1 11 . 1 . 1 4 4 ALA CA C 13 51.657 0.029 . 1 . . . . . 0 ALA CA . 51696 1 12 . 1 . 1 4 4 ALA CB C 13 19.772 0.008 . 1 . . . . . 0 ALA CB . 51696 1 13 . 1 . 1 4 4 ALA N N 15 125.521 0.051 . 1 . . . . . 0 ALA N . 51696 1 14 . 1 . 1 5 5 ASP H H 1 8.226 0.003 . 1 . . . . . 1 ASP HN . 51696 1 15 . 1 . 1 5 5 ASP C C 13 175.658 0.027 . 1 . . . . . 1 ASP CO . 51696 1 16 . 1 . 1 5 5 ASP CA C 13 53.262 0.023 . 1 . . . . . 1 ASP CA . 51696 1 17 . 1 . 1 5 5 ASP CB C 13 40.237 0.016 . 1 . . . . . 1 ASP CB . 51696 1 18 . 1 . 1 5 5 ASP N N 15 121.227 0.032 . 1 . . . . . 1 ASP N . 51696 1 19 . 1 . 1 6 6 ILE H H 1 8.632 0.004 . 1 . . . . . 2 ILE HN . 51696 1 20 . 1 . 1 6 6 ILE C C 13 175.112 0.021 . 1 . . . . . 2 ILE CO . 51696 1 21 . 1 . 1 6 6 ILE CA C 13 61.595 0.032 . 1 . . . . . 2 ILE CA . 51696 1 22 . 1 . 1 6 6 ILE CB C 13 37.302 0.102 . 1 . . . . . 2 ILE CB . 51696 1 23 . 1 . 1 6 6 ILE N N 15 125.425 0.09 . 1 . . . . . 2 ILE N . 51696 1 24 . 1 . 1 7 7 GLN H H 1 8.455 0.003 . 1 . . . . . 3 GLN HN . 51696 1 25 . 1 . 1 7 7 GLN C C 13 176.913 0.016 . 1 . . . . . 3 GLN CO . 51696 1 26 . 1 . 1 7 7 GLN CA C 13 53.874 0.036 . 1 . . . . . 3 GLN CA . 51696 1 27 . 1 . 1 7 7 GLN CB C 13 30.252 0.007 . 1 . . . . . 3 GLN CB . 51696 1 28 . 1 . 1 7 7 GLN N N 15 126.707 0.032 . 1 . . . . . 3 GLN N . 51696 1 29 . 1 . 1 8 8 MET H H 1 9.088 0.003 . 1 . . . . . 4 MET HN . 51696 1 30 . 1 . 1 8 8 MET C C 13 176.266 0.005 . 1 . . . . . 4 MET CO . 51696 1 31 . 1 . 1 8 8 MET CA C 13 54.883 0.04 . 1 . . . . . 4 MET CA . 51696 1 32 . 1 . 1 8 8 MET CB C 13 33.044 0.011 . 1 . . . . . 4 MET CB . 51696 1 33 . 1 . 1 8 8 MET N N 15 122.763 0.043 . 1 . . . . . 4 MET N . 51696 1 34 . 1 . 1 9 9 THR H H 1 8.985 0.004 . 1 . . . . . 5 THR HN . 51696 1 35 . 1 . 1 9 9 THR C C 13 174.571 0.011 . 1 . . . . . 5 THR CO . 51696 1 36 . 1 . 1 9 9 THR CA C 13 61.111 0.046 . 1 . . . . . 5 THR CA . 51696 1 37 . 1 . 1 9 9 THR CB C 13 70.062 0.015 . 1 . . . . . 5 THR CB . 51696 1 38 . 1 . 1 9 9 THR N N 15 118.711 0.051 . 1 . . . . . 5 THR N . 51696 1 39 . 1 . 1 10 10 GLN H H 1 9.527 0.004 . 1 . . . . . 6 GLN HN . 51696 1 40 . 1 . 1 10 10 GLN C C 13 175.501 0.022 . 1 . . . . . 6 GLN CO . 51696 1 41 . 1 . 1 10 10 GLN CA C 13 54.23 0.032 . 1 . . . . . 6 GLN CA . 51696 1 42 . 1 . 1 10 10 GLN CB C 13 30.036 0.027 . 1 . . . . . 6 GLN CB . 51696 1 43 . 1 . 1 10 10 GLN N N 15 129.095 0.036 . 1 . . . . . 6 GLN N . 51696 1 44 . 1 . 1 11 11 SER H H 1 8.93 0.004 . 1 . . . . . 7 SER HN . 51696 1 45 . 1 . 1 11 11 SER C C 13 172.576 0 . 1 . . . . . 7 SER CO . 51696 1 46 . 1 . 1 11 11 SER CA C 13 54.645 0.013 . 1 . . . . . 7 SER CA . 51696 1 47 . 1 . 1 11 11 SER CB C 13 64.861 0 . 1 . . . . . 7 SER CB . 51696 1 48 . 1 . 1 11 11 SER N N 15 118.981 0.037 . 1 . . . . . 7 SER N . 51696 1 49 . 1 . 1 12 12 PRO C C 13 176.407 0 . 1 . . . . . 8 PRO CO . 51696 1 50 . 1 . 1 12 12 PRO CA C 13 62.989 0.074 . 1 . . . . . 8 PRO CA . 51696 1 51 . 1 . 1 12 12 PRO CB C 13 33.945 0.04 . 1 . . . . . 8 PRO CB . 51696 1 52 . 1 . 1 13 13 SER H H 1 9.064 0.003 . 1 . . . . . 9 SER HN . 51696 1 53 . 1 . 1 13 13 SER C C 13 176.29 0.003 . 1 . . . . . 9 SER CO . 51696 1 54 . 1 . 1 13 13 SER CA C 13 60.857 0.028 . 1 . . . . . 9 SER CA . 51696 1 55 . 1 . 1 13 13 SER CB C 13 62.666 0.068 . 1 . . . . . 9 SER CB . 51696 1 56 . 1 . 1 13 13 SER N N 15 116.058 0.072 . 1 . . . . . 9 SER N . 51696 1 57 . 1 . 1 14 14 THR H H 1 7.7 0.001 . 1 . . . . . 10 THR HN . 51696 1 58 . 1 . 1 14 14 THR C C 13 172.292 0.021 . 1 . . . . . 10 THR CO . 51696 1 59 . 1 . 1 14 14 THR CA C 13 60.404 0.08 . 1 . . . . . 10 THR CA . 51696 1 60 . 1 . 1 14 14 THR CB C 13 70.815 0.012 . 1 . . . . . 10 THR CB . 51696 1 61 . 1 . 1 14 14 THR N N 15 116.207 0.036 . 1 . . . . . 10 THR N . 51696 1 62 . 1 . 1 15 15 LEU H H 1 8.941 0.005 . 1 . . . . . 11 LEU HN . 51696 1 63 . 1 . 1 15 15 LEU C C 13 174.494 0.016 . 1 . . . . . 11 LEU CO . 51696 1 64 . 1 . 1 15 15 LEU CA C 13 54.514 0.077 . 1 . . . . . 11 LEU CA . 51696 1 65 . 1 . 1 15 15 LEU CB C 13 44.666 0.003 . 1 . . . . . 11 LEU CB . 51696 1 66 . 1 . 1 15 15 LEU N N 15 125.797 0.041 . 1 . . . . . 11 LEU N . 51696 1 67 . 1 . 1 16 16 SER H H 1 8.468 0.003 . 1 . . . . . 12 SER HN . 51696 1 68 . 1 . 1 16 16 SER C C 13 173.991 0.006 . 1 . . . . . 12 SER CO . 51696 1 69 . 1 . 1 16 16 SER CA C 13 56.016 0.031 . 1 . . . . . 12 SER CA . 51696 1 70 . 1 . 1 16 16 SER CB C 13 63.758 0.049 . 1 . . . . . 12 SER CB . 51696 1 71 . 1 . 1 16 16 SER N N 15 119.066 0.064 . 1 . . . . . 12 SER N . 51696 1 72 . 1 . 1 17 17 ALA H H 1 8.635 0.005 . 1 . . . . . 13 ALA HN . 51696 1 73 . 1 . 1 17 17 ALA C C 13 175.535 0.014 . 1 . . . . . 13 ALA CO . 51696 1 74 . 1 . 1 17 17 ALA CA C 13 50.758 0.026 . 1 . . . . . 13 ALA CA . 51696 1 75 . 1 . 1 17 17 ALA CB C 13 22.221 0.011 . 1 . . . . . 13 ALA CB . 51696 1 76 . 1 . 1 17 17 ALA N N 15 127.925 0.069 . 1 . . . . . 13 ALA N . 51696 1 77 . 1 . 1 18 18 SER H H 1 8.527 0.002 . 1 . . . . . 14 SER HN . 51696 1 78 . 1 . 1 18 18 SER C C 13 174.262 0.012 . 1 . . . . . 14 SER CO . 51696 1 79 . 1 . 1 18 18 SER CA C 13 57.596 0.051 . 1 . . . . . 14 SER CA . 51696 1 80 . 1 . 1 18 18 SER CB C 13 63.499 0.008 . 1 . . . . . 14 SER CB . 51696 1 81 . 1 . 1 18 18 SER N N 15 117.931 0.033 . 1 . . . . . 14 SER N . 51696 1 82 . 1 . 1 19 19 VAL H H 1 8.368 0.003 . 1 . . . . . 15 VAL HN . 51696 1 83 . 1 . 1 19 19 VAL C C 13 178.8 0.013 . 1 . . . . . 15 VAL CO . 51696 1 84 . 1 . 1 19 19 VAL CA C 13 64.426 0.053 . 1 . . . . . 15 VAL CA . 51696 1 85 . 1 . 1 19 19 VAL CB C 13 30.179 0.025 . 1 . . . . . 15 VAL CB . 51696 1 86 . 1 . 1 19 19 VAL N N 15 122.809 0.048 . 1 . . . . . 15 VAL N . 51696 1 87 . 1 . 1 20 20 GLY H H 1 10.039 0.004 . 1 . . . . . 16 GLY HN . 51696 1 88 . 1 . 1 20 20 GLY C C 13 175.183 0.014 . 1 . . . . . 16 GLY CO . 51696 1 89 . 1 . 1 20 20 GLY CA C 13 43.958 0.021 . 1 . . . . . 16 GLY CA . 51696 1 90 . 1 . 1 20 20 GLY N N 15 118.452 0.032 . 1 . . . . . 16 GLY N . 51696 1 91 . 1 . 1 21 21 ASP H H 1 8.009 0.004 . 1 . . . . . 17 ASP HN . 51696 1 92 . 1 . 1 21 21 ASP C C 13 175.183 0.003 . 1 . . . . . 17 ASP CO . 51696 1 93 . 1 . 1 21 21 ASP CA C 13 54.354 0.051 . 1 . . . . . 17 ASP CA . 51696 1 94 . 1 . 1 21 21 ASP CB C 13 40.91 0.013 . 1 . . . . . 17 ASP CB . 51696 1 95 . 1 . 1 21 21 ASP N N 15 122.795 0.056 . 1 . . . . . 17 ASP N . 51696 1 96 . 1 . 1 22 22 ARG H H 1 8.072 0.003 . 1 . . . . . 18 ARG HN . 51696 1 97 . 1 . 1 22 22 ARG C C 13 177.133 0.009 . 1 . . . . . 18 ARG CO . 51696 1 98 . 1 . 1 22 22 ARG CA C 13 54.262 0.066 . 1 . . . . . 18 ARG CA . 51696 1 99 . 1 . 1 22 22 ARG CB C 13 30.349 0.044 . 1 . . . . . 18 ARG CB . 51696 1 100 . 1 . 1 22 22 ARG N N 15 120.478 0.054 . 1 . . . . . 18 ARG N . 51696 1 101 . 1 . 1 23 23 VAL H H 1 8.556 0.002 . 1 . . . . . 19 VAL HN . 51696 1 102 . 1 . 1 23 23 VAL C C 13 174.31 0.031 . 1 . . . . . 19 VAL CO . 51696 1 103 . 1 . 1 23 23 VAL CA C 13 59.646 0.024 . 1 . . . . . 19 VAL CA . 51696 1 104 . 1 . 1 23 23 VAL CB C 13 34.612 0.032 . 1 . . . . . 19 VAL CB . 51696 1 105 . 1 . 1 23 23 VAL N N 15 124.073 0.038 . 1 . . . . . 19 VAL N . 51696 1 106 . 1 . 1 24 24 THR H H 1 8.041 0.003 . 1 . . . . . 20 THR HN . 51696 1 107 . 1 . 1 24 24 THR C C 13 173.452 0.03 . 1 . . . . . 20 THR CO . 51696 1 108 . 1 . 1 24 24 THR CA C 13 61.126 0.028 . 1 . . . . . 20 THR CA . 51696 1 109 . 1 . 1 24 24 THR CB C 13 71.111 0.036 . 1 . . . . . 20 THR CB . 51696 1 110 . 1 . 1 24 24 THR N N 15 118.747 0.022 . 1 . . . . . 20 THR N . 51696 1 111 . 1 . 1 25 25 ILE H H 1 9.18 0.002 . 1 . . . . . 21 ILE HN . 51696 1 112 . 1 . 1 25 25 ILE C C 13 175.027 0.004 . 1 . . . . . 21 ILE CO . 51696 1 113 . 1 . 1 25 25 ILE CA C 13 60.511 0.092 . 1 . . . . . 21 ILE CA . 51696 1 114 . 1 . 1 25 25 ILE CB C 13 40.382 0.027 . 1 . . . . . 21 ILE CB . 51696 1 115 . 1 . 1 25 25 ILE N N 15 127.65 0.035 . 1 . . . . . 21 ILE N . 51696 1 116 . 1 . 1 26 26 THR H H 1 8.918 0.002 . 1 . . . . . 22 THR HN . 51696 1 117 . 1 . 1 26 26 THR C C 13 174.534 0.015 . 1 . . . . . 22 THR CO . 51696 1 118 . 1 . 1 26 26 THR CA C 13 61.566 0.042 . 1 . . . . . 22 THR CA . 51696 1 119 . 1 . 1 26 26 THR CB C 13 70.609 0.008 . 1 . . . . . 22 THR CB . 51696 1 120 . 1 . 1 26 26 THR N N 15 119.96 0.049 . 1 . . . . . 22 THR N . 51696 1 121 . 1 . 1 27 27 CYS H H 1 9.639 0.003 . 1 . . . . . 23 CYS HN . 51696 1 122 . 1 . 1 27 27 CYS C C 13 172.864 0.003 . 1 . . . . . 23 CYS CO . 51696 1 123 . 1 . 1 27 27 CYS CA C 13 55.727 0.037 . 1 . . . . . 23 CYS CA . 51696 1 124 . 1 . 1 27 27 CYS CB C 13 47.447 0.045 . 1 . . . . . 23 CYS CB . 51696 1 125 . 1 . 1 27 27 CYS N N 15 125.267 0.033 . 1 . . . . . 23 CYS N . 51696 1 126 . 1 . 1 28 28 SER H H 1 8.837 0.002 . 1 . . . . . 24 SER HN . 51696 1 127 . 1 . 1 28 28 SER C C 13 174.437 0.018 . 1 . . . . . 24 SER CO . 51696 1 128 . 1 . 1 28 28 SER CA C 13 56.2 0.039 . 1 . . . . . 24 SER CA . 51696 1 129 . 1 . 1 28 28 SER CB C 13 63.365 0.007 . 1 . . . . . 24 SER CB . 51696 1 130 . 1 . 1 28 28 SER N N 15 122.514 0.045 . 1 . . . . . 24 SER N . 51696 1 131 . 1 . 1 29 29 ALA H H 1 9.588 0.003 . 1 . . . . . 25 ALA HN . 51696 1 132 . 1 . 1 29 29 ALA C C 13 178.51 0.009 . 1 . . . . . 25 ALA CO . 51696 1 133 . 1 . 1 29 29 ALA CA C 13 49.951 0.036 . 1 . . . . . 25 ALA CA . 51696 1 134 . 1 . 1 29 29 ALA CB C 13 21.234 0.014 . 1 . . . . . 25 ALA CB . 51696 1 135 . 1 . 1 29 29 ALA N N 15 130.369 0.039 . 1 . . . . . 25 ALA N . 51696 1 136 . 1 . 1 30 30 SER H H 1 8.737 0.003 . 1 . . . . . 26 SER HN . 51696 1 137 . 1 . 1 30 30 SER C C 13 174.647 0 . 1 . . . . . 26 SER CO . 51696 1 138 . 1 . 1 30 30 SER CA C 13 60.072 0.051 . 1 . . . . . 26 SER CA . 51696 1 139 . 1 . 1 30 30 SER CB C 13 62.561 0.026 . 1 . . . . . 26 SER CB . 51696 1 140 . 1 . 1 30 30 SER N N 15 115.101 0.037 . 1 . . . . . 26 SER N . 51696 1 141 . 1 . 1 31 31 SER H H 1 7.35 0.002 . 1 . . . . . 27 SER HN . 51696 1 142 . 1 . 1 31 31 SER C C 13 171.946 0.007 . 1 . . . . . 27 SER CO . 51696 1 143 . 1 . 1 31 31 SER CA C 13 56.558 0.047 . 1 . . . . . 27 SER CA . 51696 1 144 . 1 . 1 31 31 SER CB C 13 64.366 0.015 . 1 . . . . . 27 SER CB . 51696 1 145 . 1 . 1 31 31 SER N N 15 114.761 0.038 . 1 . . . . . 27 SER N . 51696 1 146 . 1 . 1 32 32 ARG H H 1 7.733 0.003 . 1 . . . . . 28 ARG HN . 51696 1 147 . 1 . 1 32 32 ARG C C 13 176.564 0.039 . 1 . . . . . 28 ARG CO . 51696 1 148 . 1 . 1 32 32 ARG CA C 13 57.222 0.093 . 1 . . . . . 28 ARG CA . 51696 1 149 . 1 . 1 32 32 ARG CB C 13 29.45 0.041 . 1 . . . . . 28 ARG CB . 51696 1 150 . 1 . 1 32 32 ARG N N 15 118.18 0.049 . 1 . . . . . 28 ARG N . 51696 1 151 . 1 . 1 33 33 VAL H H 1 8.003 0.003 . 1 . . . . . 29 VAL HN . 51696 1 152 . 1 . 1 33 33 VAL C C 13 176.48 0.03 . 1 . . . . . 29 VAL CO . 51696 1 153 . 1 . 1 33 33 VAL CA C 13 59.092 0.038 . 1 . . . . . 29 VAL CA . 51696 1 154 . 1 . 1 33 33 VAL CB C 13 34.343 0.055 . 1 . . . . . 29 VAL CB . 51696 1 155 . 1 . 1 33 33 VAL N N 15 117.627 0.039 . 1 . . . . . 29 VAL N . 51696 1 156 . 1 . 1 34 34 GLY H H 1 7.928 0.003 . 1 . . . . . 30 GLY HN . 51696 1 157 . 1 . 1 34 34 GLY C C 13 173.801 0.014 . 1 . . . . . 30 GLY CO . 51696 1 158 . 1 . 1 34 34 GLY CA C 13 46.53 0.037 . 1 . . . . . 30 GLY CA . 51696 1 159 . 1 . 1 34 34 GLY N N 15 110.089 0.038 . 1 . . . . . 30 GLY N . 51696 1 160 . 1 . 1 35 35 TYR H H 1 6.86 0.002 . 1 . . . . . 31 TYR HN . 51696 1 161 . 1 . 1 35 35 TYR C C 13 172.666 0.039 . 1 . . . . . 31 TYR CO . 51696 1 162 . 1 . 1 35 35 TYR CA C 13 55.689 0.026 . 1 . . . . . 31 TYR CA . 51696 1 163 . 1 . 1 35 35 TYR CB C 13 44.022 0.005 . 1 . . . . . 31 TYR CB . 51696 1 164 . 1 . 1 35 35 TYR N N 15 114.847 0.034 . 1 . . . . . 31 TYR N . 51696 1 165 . 1 . 1 36 36 MET H H 1 7.357 0.003 . 1 . . . . . 32 MET HN . 51696 1 166 . 1 . 1 36 36 MET C C 13 173.168 0.024 . 1 . . . . . 32 MET CO . 51696 1 167 . 1 . 1 36 36 MET CA C 13 51.673 0.021 . 1 . . . . . 32 MET CA . 51696 1 168 . 1 . 1 36 36 MET CB C 13 33.207 0.048 . 1 . . . . . 32 MET CB . 51696 1 169 . 1 . 1 36 36 MET N N 15 121.209 0.037 . 1 . . . . . 32 MET N . 51696 1 170 . 1 . 1 37 37 HIS H H 1 7.704 0.004 . 1 . . . . . 33 HIS HN . 51696 1 171 . 1 . 1 37 37 HIS C C 13 175.017 0.012 . 1 . . . . . 33 HIS CO . 51696 1 172 . 1 . 1 37 37 HIS CA C 13 52.739 0.044 . 1 . . . . . 33 HIS CA . 51696 1 173 . 1 . 1 37 37 HIS CB C 13 32.521 0.035 . 1 . . . . . 33 HIS CB . 51696 1 174 . 1 . 1 37 37 HIS N N 15 124.945 0.052 . 1 . . . . . 33 HIS N . 51696 1 175 . 1 . 1 38 38 TRP H H 1 9.468 0.003 . 1 . . . . . 34 TRP HN . 51696 1 176 . 1 . 1 38 38 TRP C C 13 175.701 0.009 . 1 . . . . . 34 TRP CO . 51696 1 177 . 1 . 1 38 38 TRP CA C 13 55.809 0.024 . 1 . . . . . 34 TRP CA . 51696 1 178 . 1 . 1 38 38 TRP CB C 13 32.675 0.104 . 1 . . . . . 34 TRP CB . 51696 1 179 . 1 . 1 38 38 TRP N N 15 117.92 0.049 . 1 . . . . . 34 TRP N . 51696 1 180 . 1 . 1 39 39 TYR H H 1 9.722 0.003 . 1 . . . . . 35 TYR HN . 51696 1 181 . 1 . 1 39 39 TYR C C 13 175.037 0.008 . 1 . . . . . 35 TYR CO . 51696 1 182 . 1 . 1 39 39 TYR CA C 13 57.142 0.044 . 1 . . . . . 35 TYR CA . 51696 1 183 . 1 . 1 39 39 TYR CB C 13 42.494 0.018 . 1 . . . . . 35 TYR CB . 51696 1 184 . 1 . 1 39 39 TYR N N 15 118.995 0.044 . 1 . . . . . 35 TYR N . 51696 1 185 . 1 . 1 40 40 GLN H H 1 9.233 0.003 . 1 . . . . . 36 GLN HN . 51696 1 186 . 1 . 1 40 40 GLN C C 13 174.441 0.023 . 1 . . . . . 36 GLN CO . 51696 1 187 . 1 . 1 40 40 GLN CA C 13 53.599 0.06 . 1 . . . . . 36 GLN CA . 51696 1 188 . 1 . 1 40 40 GLN CB C 13 33.144 0.035 . 1 . . . . . 36 GLN CB . 51696 1 189 . 1 . 1 40 40 GLN N N 15 122.615 0.059 . 1 . . . . . 36 GLN N . 51696 1 190 . 1 . 1 41 41 GLN H H 1 9.497 0.004 . 1 . . . . . 37 GLN HN . 51696 1 191 . 1 . 1 41 41 GLN C C 13 175.678 0.022 . 1 . . . . . 37 GLN CO . 51696 1 192 . 1 . 1 41 41 GLN CA C 13 54.438 0.065 . 1 . . . . . 37 GLN CA . 51696 1 193 . 1 . 1 41 41 GLN CB C 13 31.206 0.055 . 1 . . . . . 37 GLN CB . 51696 1 194 . 1 . 1 41 41 GLN N N 15 129.686 0.044 . 1 . . . . . 37 GLN N . 51696 1 195 . 1 . 1 42 42 LYS H H 1 8.909 0.004 . 1 . . . . . 38 LYS HN . 51696 1 196 . 1 . 1 42 42 LYS C C 13 173.795 0 . 1 . . . . . 38 LYS CO . 51696 1 197 . 1 . 1 42 42 LYS CA C 13 53.516 0.015 . 1 . . . . . 38 LYS CA . 51696 1 198 . 1 . 1 42 42 LYS CB C 13 30.367 0 . 1 . . . . . 38 LYS CB . 51696 1 199 . 1 . 1 42 42 LYS N N 15 133.06 0.035 . 1 . . . . . 38 LYS N . 51696 1 200 . 1 . 1 43 43 PRO C C 13 178.827 0.023 . 1 . . . . . 39 PRO CO . 51696 1 201 . 1 . 1 43 43 PRO CA C 13 64.108 0.084 . 1 . . . . . 39 PRO CA . 51696 1 202 . 1 . 1 43 43 PRO CB C 13 30.743 0.11 . 1 . . . . . 39 PRO CB . 51696 1 203 . 1 . 1 44 44 GLY H H 1 8.649 0.002 . 1 . . . . . 40 GLY HN . 51696 1 204 . 1 . 1 44 44 GLY C C 13 174.42 0.03 . 1 . . . . . 40 GLY CO . 51696 1 205 . 1 . 1 44 44 GLY CA C 13 45.432 0.015 . 1 . . . . . 40 GLY CA . 51696 1 206 . 1 . 1 44 44 GLY N N 15 112.918 0.04 . 1 . . . . . 40 GLY N . 51696 1 207 . 1 . 1 45 45 LYS H H 1 7.85 0.002 . 1 . . . . . 41 LYS HN . 51696 1 208 . 1 . 1 45 45 LYS C C 13 175.824 0.084 . 1 . . . . . 41 LYS CO . 51696 1 209 . 1 . 1 45 45 LYS CA C 13 53.097 0.044 . 1 . . . . . 41 LYS CA . 51696 1 210 . 1 . 1 45 45 LYS CB C 13 34.403 0.054 . 1 . . . . . 41 LYS CB . 51696 1 211 . 1 . 1 45 45 LYS N N 15 120.159 0.038 . 1 . . . . . 41 LYS N . 51696 1 212 . 1 . 1 46 46 ALA H H 1 8.058 0.002 . 1 . . . . . 42 ALA HN . 51696 1 213 . 1 . 1 46 46 ALA C C 13 176.162 0 . 1 . . . . . 42 ALA CO . 51696 1 214 . 1 . 1 46 46 ALA CA C 13 49.88 0.001 . 1 . . . . . 42 ALA CA . 51696 1 215 . 1 . 1 46 46 ALA CB C 13 17.316 0 . 1 . . . . . 42 ALA CB . 51696 1 216 . 1 . 1 46 46 ALA N N 15 121.433 0.046 . 1 . . . . . 42 ALA N . 51696 1 217 . 1 . 1 49 49 LEU H H 1 8.943 0.004 . 1 . . . . . 45 LEU HN . 51696 1 218 . 1 . 1 49 49 LEU C C 13 174.88 0 . 1 . . . . . 45 LEU CO . 51696 1 219 . 1 . 1 49 49 LEU CB C 13 41.141 0.093 . 1 . . . . . 45 LEU CB . 51696 1 220 . 1 . 1 49 49 LEU N N 15 129.459 0.026 . 1 . . . . . 45 LEU N . 51696 1 221 . 1 . 1 50 50 LEU H H 1 8.594 0.006 . 1 . . . . . 46 LEU HN . 51696 1 222 . 1 . 1 50 50 LEU C C 13 175.314 0.056 . 1 . . . . . 46 LEU CO . 51696 1 223 . 1 . 1 50 50 LEU CA C 13 54.803 0.082 . 1 . . . . . 46 LEU CA . 51696 1 224 . 1 . 1 50 50 LEU CB C 13 45.693 0.021 . 1 . . . . . 46 LEU CB . 51696 1 225 . 1 . 1 50 50 LEU N N 15 128.81 0.084 . 1 . . . . . 46 LEU N . 51696 1 226 . 1 . 1 51 51 ILE H H 1 7.147 0.003 . 1 . . . . . 47 ILE HN . 51696 1 227 . 1 . 1 51 51 ILE C C 13 174.192 0.032 . 1 . . . . . 47 ILE CO . 51696 1 228 . 1 . 1 51 51 ILE CA C 13 57.106 0.037 . 1 . . . . . 47 ILE CA . 51696 1 229 . 1 . 1 51 51 ILE CB C 13 40.897 0.007 . 1 . . . . . 47 ILE CB . 51696 1 230 . 1 . 1 51 51 ILE N N 15 117.233 0.087 . 1 . . . . . 47 ILE N . 51696 1 231 . 1 . 1 52 52 TYR H H 1 9.235 0.003 . 1 . . . . . 48 TYR HN . 51696 1 232 . 1 . 1 52 52 TYR C C 13 173.438 0.039 . 1 . . . . . 48 TYR CO . 51696 1 233 . 1 . 1 52 52 TYR CA C 13 53.177 0.068 . 1 . . . . . 48 TYR CA . 51696 1 234 . 1 . 1 52 52 TYR CB C 13 40.756 0.013 . 1 . . . . . 48 TYR CB . 51696 1 235 . 1 . 1 52 52 TYR N N 15 123.821 0.045 . 1 . . . . . 48 TYR N . 51696 1 236 . 1 . 1 53 53 ASP H H 1 10.48 0.005 . 1 . . . . . 49 ASP HN . 51696 1 237 . 1 . 1 53 53 ASP C C 13 177.826 0.059 . 1 . . . . . 49 ASP CO . 51696 1 238 . 1 . 1 53 53 ASP CA C 13 54.517 0.084 . 1 . . . . . 49 ASP CA . 51696 1 239 . 1 . 1 53 53 ASP CB C 13 36.795 0.055 . 1 . . . . . 49 ASP CB . 51696 1 240 . 1 . 1 53 53 ASP N N 15 121.176 0.083 . 1 . . . . . 49 ASP N . 51696 1 241 . 1 . 1 54 54 THR H H 1 8.389 0.006 . 1 . . . . . 50 THR HN . 51696 1 242 . 1 . 1 54 54 THR C C 13 176.257 0.054 . 1 . . . . . 50 THR CO . 51696 1 243 . 1 . 1 54 54 THR CA C 13 68.014 0.045 . 1 . . . . . 50 THR CA . 51696 1 244 . 1 . 1 54 54 THR CB C 13 65.206 0.095 . 1 . . . . . 50 THR CB . 51696 1 245 . 1 . 1 54 54 THR N N 15 111.715 0.046 . 1 . . . . . 50 THR N . 51696 1 246 . 1 . 1 55 55 SER H H 1 8.758 0.003 . 1 . . . . . 51 SER HN . 51696 1 247 . 1 . 1 55 55 SER C C 13 175.345 0.014 . 1 . . . . . 51 SER CO . 51696 1 248 . 1 . 1 55 55 SER CA C 13 57.118 0.042 . 1 . . . . . 51 SER CA . 51696 1 249 . 1 . 1 55 55 SER CB C 13 66.387 0.018 . 1 . . . . . 51 SER CB . 51696 1 250 . 1 . 1 55 55 SER N N 15 114.438 0.073 . 1 . . . . . 51 SER N . 51696 1 251 . 1 . 1 56 56 LYS H H 1 8.445 0.009 . 1 . . . . . 52 LYS HN . 51696 1 252 . 1 . 1 56 56 LYS C C 13 174.852 0.071 . 1 . . . . . 52 LYS CO . 51696 1 253 . 1 . 1 56 56 LYS CA C 13 55.593 0.054 . 1 . . . . . 52 LYS CA . 51696 1 254 . 1 . 1 56 56 LYS CB C 13 29.872 0.023 . 1 . . . . . 52 LYS CB . 51696 1 255 . 1 . 1 56 56 LYS N N 15 125.195 0.075 . 1 . . . . . 52 LYS N . 51696 1 256 . 1 . 1 57 57 LEU H H 1 8.06 0.004 . 1 . . . . . 53 LEU HN . 51696 1 257 . 1 . 1 57 57 LEU C C 13 178.671 0.015 . 1 . . . . . 53 LEU CO . 51696 1 258 . 1 . 1 57 57 LEU CA C 13 54.82 0.068 . 1 . . . . . 53 LEU CA . 51696 1 259 . 1 . 1 57 57 LEU CB C 13 41.887 0.055 . 1 . . . . . 53 LEU CB . 51696 1 260 . 1 . 1 57 57 LEU N N 15 122.762 0.053 . 1 . . . . . 53 LEU N . 51696 1 261 . 1 . 1 58 58 ALA H H 1 7.84 0.002 . 1 . . . . . 54 ALA HN . 51696 1 262 . 1 . 1 58 58 ALA C C 13 177.045 0.012 . 1 . . . . . 54 ALA CO . 51696 1 263 . 1 . 1 58 58 ALA CA C 13 51.431 0.057 . 1 . . . . . 54 ALA CA . 51696 1 264 . 1 . 1 58 58 ALA CB C 13 18.298 0.014 . 1 . . . . . 54 ALA CB . 51696 1 265 . 1 . 1 58 58 ALA N N 15 125.639 0.068 . 1 . . . . . 54 ALA N . 51696 1 266 . 1 . 1 59 59 SER H H 1 8.263 0.002 . 1 . . . . . 55 SER HN . 51696 1 267 . 1 . 1 59 59 SER C C 13 177.079 0.011 . 1 . . . . . 55 SER CO . 51696 1 268 . 1 . 1 59 59 SER CA C 13 59.649 0.043 . 1 . . . . . 55 SER CA . 51696 1 269 . 1 . 1 59 59 SER CB C 13 62.394 0.035 . 1 . . . . . 55 SER CB . 51696 1 270 . 1 . 1 59 59 SER N N 15 114.886 0.033 . 1 . . . . . 55 SER N . 51696 1 271 . 1 . 1 60 60 GLY H H 1 8.816 0.002 . 1 . . . . . 56 GLY HN . 51696 1 272 . 1 . 1 60 60 GLY C C 13 174.788 0.017 . 1 . . . . . 56 GLY CO . 51696 1 273 . 1 . 1 60 60 GLY CA C 13 45.234 0.03 . 1 . . . . . 56 GLY CA . 51696 1 274 . 1 . 1 60 60 GLY N N 15 114.495 0.044 . 1 . . . . . 56 GLY N . 51696 1 275 . 1 . 1 61 61 VAL H H 1 7.614 0.002 . 1 . . . . . 57 VAL HN . 51696 1 276 . 1 . 1 61 61 VAL C C 13 174.86 0 . 1 . . . . . 57 VAL CO . 51696 1 277 . 1 . 1 61 61 VAL CA C 13 60.318 0.022 . 1 . . . . . 57 VAL CA . 51696 1 278 . 1 . 1 61 61 VAL CB C 13 31.945 0 . 1 . . . . . 57 VAL CB . 51696 1 279 . 1 . 1 61 61 VAL N N 15 125.182 0.042 . 1 . . . . . 57 VAL N . 51696 1 280 . 1 . 1 62 62 PRO C C 13 177.508 0.008 . 1 . . . . . 58 PRO CO . 51696 1 281 . 1 . 1 62 62 PRO CA C 13 62.644 0.072 . 1 . . . . . 58 PRO CA . 51696 1 282 . 1 . 1 62 62 PRO CB C 13 32.938 0.067 . 1 . . . . . 58 PRO CB . 51696 1 283 . 1 . 1 63 63 SER H H 1 8.335 0.002 . 1 . . . . . 59 SER HN . 51696 1 284 . 1 . 1 63 63 SER C C 13 174.6 0.026 . 1 . . . . . 59 SER CO . 51696 1 285 . 1 . 1 63 63 SER CA C 13 59.972 0.056 . 1 . . . . . 59 SER CA . 51696 1 286 . 1 . 1 63 63 SER CB C 13 62.423 0.12 . 1 . . . . . 59 SER CB . 51696 1 287 . 1 . 1 63 63 SER N N 15 113.251 0.055 . 1 . . . . . 59 SER N . 51696 1 288 . 1 . 1 64 64 ARG H H 1 6.923 0.002 . 1 . . . . . 60 ARG HN . 51696 1 289 . 1 . 1 64 64 ARG C C 13 176.128 0.007 . 1 . . . . . 60 ARG CO . 51696 1 290 . 1 . 1 64 64 ARG CA C 13 56.42 0.054 . 1 . . . . . 60 ARG CA . 51696 1 291 . 1 . 1 64 64 ARG CB C 13 28.532 0.139 . 1 . . . . . 60 ARG CB . 51696 1 292 . 1 . 1 64 64 ARG N N 15 116.492 0.04 . 1 . . . . . 60 ARG N . 51696 1 293 . 1 . 1 65 65 PHE H H 1 7.646 0.002 . 1 . . . . . 61 PHE HN . 51696 1 294 . 1 . 1 65 65 PHE C C 13 174.529 0.034 . 1 . . . . . 61 PHE CO . 51696 1 295 . 1 . 1 65 65 PHE CA C 13 58.145 0.066 . 1 . . . . . 61 PHE CA . 51696 1 296 . 1 . 1 65 65 PHE CB C 13 39.745 0.014 . 1 . . . . . 61 PHE CB . 51696 1 297 . 1 . 1 65 65 PHE N N 15 121.506 0.058 . 1 . . . . . 61 PHE N . 51696 1 298 . 1 . 1 66 66 SER H H 1 8.717 0.004 . 1 . . . . . 62 SER HN . 51696 1 299 . 1 . 1 66 66 SER C C 13 172.867 0.022 . 1 . . . . . 62 SER CO . 51696 1 300 . 1 . 1 66 66 SER CA C 13 56.935 0.069 . 1 . . . . . 62 SER CA . 51696 1 301 . 1 . 1 66 66 SER CB C 13 65.226 0.04 . 1 . . . . . 62 SER CB . 51696 1 302 . 1 . 1 66 66 SER N N 15 112.443 0.047 . 1 . . . . . 62 SER N . 51696 1 303 . 1 . 1 67 67 GLY H H 1 8.574 0.003 . 1 . . . . . 63 GLY HN . 51696 1 304 . 1 . 1 67 67 GLY C C 13 173.415 0.042 . 1 . . . . . 63 GLY CO . 51696 1 305 . 1 . 1 67 67 GLY CA C 13 43.811 0.014 . 1 . . . . . 63 GLY CA . 51696 1 306 . 1 . 1 67 67 GLY N N 15 108.908 0.044 . 1 . . . . . 63 GLY N . 51696 1 307 . 1 . 1 68 68 SER H H 1 8.67 0.003 . 1 . . . . . 64 SER HN . 51696 1 308 . 1 . 1 68 68 SER C C 13 174.233 0.009 . 1 . . . . . 64 SER CO . 51696 1 309 . 1 . 1 68 68 SER CA C 13 56.724 0.031 . 1 . . . . . 64 SER CA . 51696 1 310 . 1 . 1 68 68 SER CB C 13 65.189 0.003 . 1 . . . . . 64 SER CB . 51696 1 311 . 1 . 1 68 68 SER N N 15 114.502 0.041 . 1 . . . . . 64 SER N . 51696 1 312 . 1 . 1 69 69 GLY H H 1 8.178 0.003 . 1 . . . . . 65 GLY HN . 51696 1 313 . 1 . 1 69 69 GLY C C 13 172.639 0.012 . 1 . . . . . 65 GLY CO . 51696 1 314 . 1 . 1 69 69 GLY CA C 13 45.17 0.026 . 1 . . . . . 65 GLY CA . 51696 1 315 . 1 . 1 69 69 GLY N N 15 109.98 0.047 . 1 . . . . . 65 GLY N . 51696 1 316 . 1 . 1 70 70 SER H H 1 7.062 0.002 . 1 . . . . . 66 SER HN . 51696 1 317 . 1 . 1 70 70 SER C C 13 174.726 0.009 . 1 . . . . . 66 SER CO . 51696 1 318 . 1 . 1 70 70 SER CA C 13 57.919 0.054 . 1 . . . . . 66 SER CA . 51696 1 319 . 1 . 1 70 70 SER CB C 13 63.697 0.006 . 1 . . . . . 66 SER CB . 51696 1 320 . 1 . 1 70 70 SER N N 15 110.044 0.042 . 1 . . . . . 66 SER N . 51696 1 321 . 1 . 1 71 71 GLY H H 1 8.897 0.004 . 1 . . . . . 67 GLY HN . 51696 1 322 . 1 . 1 71 71 GLY C C 13 172.244 0.035 . 1 . . . . . 67 GLY CO . 51696 1 323 . 1 . 1 71 71 GLY CA C 13 47.509 0.034 . 1 . . . . . 67 GLY CA . 51696 1 324 . 1 . 1 71 71 GLY N N 15 112.431 0.056 . 1 . . . . . 67 GLY N . 51696 1 325 . 1 . 1 72 72 THR H H 1 8.163 0.003 . 1 . . . . . 68 THR HN . 51696 1 326 . 1 . 1 72 72 THR C C 13 174.353 0.017 . 1 . . . . . 68 THR CO . 51696 1 327 . 1 . 1 72 72 THR CA C 13 60.885 0.053 . 1 . . . . . 68 THR CA . 51696 1 328 . 1 . 1 72 72 THR CB C 13 69.561 0.072 . 1 . . . . . 68 THR CB . 51696 1 329 . 1 . 1 72 72 THR N N 15 115.193 0.043 . 1 . . . . . 68 THR N . 51696 1 330 . 1 . 1 73 73 GLU H H 1 7.14 0.002 . 1 . . . . . 69 GLU HN . 51696 1 331 . 1 . 1 73 73 GLU C C 13 174.542 0.011 . 1 . . . . . 69 GLU CO . 51696 1 332 . 1 . 1 73 73 GLU CA C 13 55.57 0.028 . 1 . . . . . 69 GLU CA . 51696 1 333 . 1 . 1 73 73 GLU CB C 13 31.482 0.034 . 1 . . . . . 69 GLU CB . 51696 1 334 . 1 . 1 73 73 GLU N N 15 122.131 0.03 . 1 . . . . . 69 GLU N . 51696 1 335 . 1 . 1 74 74 PHE H H 1 8.749 0.003 . 1 . . . . . 70 PHE HN . 51696 1 336 . 1 . 1 74 74 PHE C C 13 175.541 0.034 . 1 . . . . . 70 PHE CO . 51696 1 337 . 1 . 1 74 74 PHE CA C 13 56.603 0.042 . 1 . . . . . 70 PHE CA . 51696 1 338 . 1 . 1 74 74 PHE CB C 13 42.41 0.096 . 1 . . . . . 70 PHE CB . 51696 1 339 . 1 . 1 74 74 PHE N N 15 124.306 0.057 . 1 . . . . . 70 PHE N . 51696 1 340 . 1 . 1 75 75 THR H H 1 9.001 0.004 . 1 . . . . . 71 THR HN . 51696 1 341 . 1 . 1 75 75 THR C C 13 172.734 0 . 1 . . . . . 71 THR CO . 51696 1 342 . 1 . 1 75 75 THR CA C 13 60.178 0.035 . 1 . . . . . 71 THR CA . 51696 1 343 . 1 . 1 75 75 THR CB C 13 72.302 0.113 . 1 . . . . . 71 THR CB . 51696 1 344 . 1 . 1 75 75 THR N N 15 114.56 0.042 . 1 . . . . . 71 THR N . 51696 1 345 . 1 . 1 76 76 LEU H H 1 8.604 0.004 . 1 . . . . . 72 LEU HN . 51696 1 346 . 1 . 1 76 76 LEU C C 13 175.087 0.067 . 1 . . . . . 72 LEU CO . 51696 1 347 . 1 . 1 76 76 LEU CA C 13 52.933 0.053 . 1 . . . . . 72 LEU CA . 51696 1 348 . 1 . 1 76 76 LEU CB C 13 41.047 0.047 . 1 . . . . . 72 LEU CB . 51696 1 349 . 1 . 1 76 76 LEU N N 15 127.886 0.088 . 1 . . . . . 72 LEU N . 51696 1 350 . 1 . 1 77 77 THR H H 1 8.925 0.003 . 1 . . . . . 73 THR HN . 51696 1 351 . 1 . 1 77 77 THR C C 13 173.696 0.036 . 1 . . . . . 73 THR CO . 51696 1 352 . 1 . 1 77 77 THR CA C 13 60.646 0.032 . 1 . . . . . 73 THR CA . 51696 1 353 . 1 . 1 77 77 THR CB C 13 70.404 0.031 . 1 . . . . . 73 THR CB . 51696 1 354 . 1 . 1 77 77 THR N N 15 123.37 0.044 . 1 . . . . . 73 THR N . 51696 1 355 . 1 . 1 78 78 ILE H H 1 8.693 0.002 . 1 . . . . . 74 ILE HN . 51696 1 356 . 1 . 1 78 78 ILE C C 13 176.756 0.016 . 1 . . . . . 74 ILE CO . 51696 1 357 . 1 . 1 78 78 ILE CA C 13 59.767 0.052 . 1 . . . . . 74 ILE CA . 51696 1 358 . 1 . 1 78 78 ILE CB C 13 37.519 0.036 . 1 . . . . . 74 ILE CB . 51696 1 359 . 1 . 1 78 78 ILE N N 15 126.299 0.043 . 1 . . . . . 74 ILE N . 51696 1 360 . 1 . 1 79 79 SER H H 1 8.877 0.003 . 1 . . . . . 75 SER HN . 51696 1 361 . 1 . 1 79 79 SER C C 13 173.906 0.033 . 1 . . . . . 75 SER CO . 51696 1 362 . 1 . 1 79 79 SER CA C 13 60.063 0.039 . 1 . . . . . 75 SER CA . 51696 1 363 . 1 . 1 79 79 SER CB C 13 62.346 0.053 . 1 . . . . . 75 SER CB . 51696 1 364 . 1 . 1 79 79 SER N N 15 121.56 0.041 . 1 . . . . . 75 SER N . 51696 1 365 . 1 . 1 80 80 SER H H 1 6.321 0.004 . 1 . . . . . 76 SER HN . 51696 1 366 . 1 . 1 80 80 SER C C 13 174.052 0.045 . 1 . . . . . 76 SER CO . 51696 1 367 . 1 . 1 80 80 SER CA C 13 56.221 0.06 . 1 . . . . . 76 SER CA . 51696 1 368 . 1 . 1 80 80 SER CB C 13 61.825 0.046 . 1 . . . . . 76 SER CB . 51696 1 369 . 1 . 1 80 80 SER N N 15 113.864 0.06 . 1 . . . . . 76 SER N . 51696 1 370 . 1 . 1 81 81 LEU H H 1 8.69 0.003 . 1 . . . . . 77 LEU HN . 51696 1 371 . 1 . 1 81 81 LEU C C 13 176.877 0.029 . 1 . . . . . 77 LEU CO . 51696 1 372 . 1 . 1 81 81 LEU CA C 13 56.507 0.061 . 1 . . . . . 77 LEU CA . 51696 1 373 . 1 . 1 81 81 LEU CB C 13 41.865 0.075 . 1 . . . . . 77 LEU CB . 51696 1 374 . 1 . 1 81 81 LEU N N 15 127.224 0.078 . 1 . . . . . 77 LEU N . 51696 1 375 . 1 . 1 82 82 GLN H H 1 9.092 0.003 . 1 . . . . . 78 GLN HN . 51696 1 376 . 1 . 1 82 82 GLN C C 13 175.543 0 . 1 . . . . . 78 GLN CO . 51696 1 377 . 1 . 1 82 82 GLN CA C 13 52.301 0.004 . 1 . . . . . 78 GLN CA . 51696 1 378 . 1 . 1 82 82 GLN CB C 13 29.004 0 . 1 . . . . . 78 GLN CB . 51696 1 379 . 1 . 1 82 82 GLN N N 15 125.458 0.065 . 1 . . . . . 78 GLN N . 51696 1 380 . 1 . 1 83 83 PRO C C 13 178.222 0.004 . 1 . . . . . 79 PRO CO . 51696 1 381 . 1 . 1 83 83 PRO CA C 13 65.789 0.161 . 1 . . . . . 79 PRO CA . 51696 1 382 . 1 . 1 83 83 PRO CB C 13 30.882 0.033 . 1 . . . . . 79 PRO CB . 51696 1 383 . 1 . 1 84 84 ASP H H 1 8.133 0.002 . 1 . . . . . 80 ASP HN . 51696 1 384 . 1 . 1 84 84 ASP C C 13 176.808 0.065 . 1 . . . . . 80 ASP CO . 51696 1 385 . 1 . 1 84 84 ASP CA C 13 54.516 0.086 . 1 . . . . . 80 ASP CA . 51696 1 386 . 1 . 1 84 84 ASP CB C 13 40.239 0.046 . 1 . . . . . 80 ASP CB . 51696 1 387 . 1 . 1 84 84 ASP N N 15 111.713 0.05 . 1 . . . . . 80 ASP N . 51696 1 388 . 1 . 1 85 85 ASP H H 1 8.179 0.003 . 1 . . . . . 81 ASP HN . 51696 1 389 . 1 . 1 85 85 ASP C C 13 178.176 0.019 . 1 . . . . . 81 ASP CO . 51696 1 390 . 1 . 1 85 85 ASP CA C 13 54.374 0.04 . 1 . . . . . 81 ASP CA . 51696 1 391 . 1 . 1 85 85 ASP CB C 13 40.407 0.001 . 1 . . . . . 81 ASP CB . 51696 1 392 . 1 . 1 85 85 ASP N N 15 117.919 0.037 . 1 . . . . . 81 ASP N . 51696 1 393 . 1 . 1 86 86 PHE H H 1 7.034 0.002 . 1 . . . . . 82 PHE HN . 51696 1 394 . 1 . 1 86 86 PHE C C 13 174.256 0.008 . 1 . . . . . 82 PHE CO . 51696 1 395 . 1 . 1 86 86 PHE CA C 13 59.385 0.05 . 1 . . . . . 82 PHE CA . 51696 1 396 . 1 . 1 86 86 PHE CB C 13 37.537 0.048 . 1 . . . . . 82 PHE CB . 51696 1 397 . 1 . 1 86 86 PHE N N 15 121.359 0.081 . 1 . . . . . 82 PHE N . 51696 1 398 . 1 . 1 87 87 ALA H H 1 7.678 0.004 . 1 . . . . . 83 ALA HN . 51696 1 399 . 1 . 1 87 87 ALA C C 13 175.599 0.045 . 1 . . . . . 83 ALA CO . 51696 1 400 . 1 . 1 87 87 ALA CA C 13 51.168 0.065 . 1 . . . . . 83 ALA CA . 51696 1 401 . 1 . 1 87 87 ALA CB C 13 19.496 0.015 . 1 . . . . . 83 ALA CB . 51696 1 402 . 1 . 1 87 87 ALA N N 15 126.419 0.047 . 1 . . . . . 83 ALA N . 51696 1 403 . 1 . 1 88 88 THR H H 1 7.883 0.001 . 1 . . . . . 84 THR HN . 51696 1 404 . 1 . 1 88 88 THR C C 13 173.418 0.043 . 1 . . . . . 84 THR CO . 51696 1 405 . 1 . 1 88 88 THR CA C 13 61.947 0.083 . 1 . . . . . 84 THR CA . 51696 1 406 . 1 . 1 88 88 THR CB C 13 68.489 0.103 . 1 . . . . . 84 THR CB . 51696 1 407 . 1 . 1 88 88 THR N N 15 114.464 0.065 . 1 . . . . . 84 THR N . 51696 1 408 . 1 . 1 89 89 TYR H H 1 8.821 0.003 . 1 . . . . . 85 TYR HN . 51696 1 409 . 1 . 1 89 89 TYR C C 13 177.087 0.009 . 1 . . . . . 85 TYR CO . 51696 1 410 . 1 . 1 89 89 TYR CA C 13 56.465 0.049 . 1 . . . . . 85 TYR CA . 51696 1 411 . 1 . 1 89 89 TYR CB C 13 40.792 0.018 . 1 . . . . . 85 TYR CB . 51696 1 412 . 1 . 1 89 89 TYR N N 15 125.215 0.038 . 1 . . . . . 85 TYR N . 51696 1 413 . 1 . 1 90 90 TYR H H 1 9.667 0.002 . 1 . . . . . 86 TYR HN . 51696 1 414 . 1 . 1 90 90 TYR C C 13 176.205 0.031 . 1 . . . . . 86 TYR CO . 51696 1 415 . 1 . 1 90 90 TYR CA C 13 57.666 0.019 . 1 . . . . . 86 TYR CA . 51696 1 416 . 1 . 1 90 90 TYR CB C 13 43.106 0.006 . 1 . . . . . 86 TYR CB . 51696 1 417 . 1 . 1 90 90 TYR N N 15 121.992 0.058 . 1 . . . . . 86 TYR N . 51696 1 418 . 1 . 1 91 91 CYS H H 1 7.631 0.002 . 1 . . . . . 87 CYS HN . 51696 1 419 . 1 . 1 91 91 CYS C C 13 173.379 0.02 . 1 . . . . . 87 CYS CO . 51696 1 420 . 1 . 1 91 91 CYS CA C 13 53.355 0.035 . 1 . . . . . 87 CYS CA . 51696 1 421 . 1 . 1 91 91 CYS CB C 13 42.208 0.06 . 1 . . . . . 87 CYS CB . 51696 1 422 . 1 . 1 91 91 CYS N N 15 117.868 0.038 . 1 . . . . . 87 CYS N . 51696 1 423 . 1 . 1 92 92 PHE H H 1 8.67 0.002 . 1 . . . . . 88 PHE HN . 51696 1 424 . 1 . 1 92 92 PHE C C 13 171.269 0.025 . 1 . . . . . 88 PHE CO . 51696 1 425 . 1 . 1 92 92 PHE CA C 13 56.878 0.057 . 1 . . . . . 88 PHE CA . 51696 1 426 . 1 . 1 92 92 PHE CB C 13 43.221 0.037 . 1 . . . . . 88 PHE CB . 51696 1 427 . 1 . 1 92 92 PHE N N 15 124.571 0.065 . 1 . . . . . 88 PHE N . 51696 1 428 . 1 . 1 93 93 GLN H H 1 7.464 0.002 . 1 . . . . . 89 GLN HN . 51696 1 429 . 1 . 1 93 93 GLN C C 13 171.364 0.032 . 1 . . . . . 89 GLN CO . 51696 1 430 . 1 . 1 93 93 GLN CA C 13 51.662 0.039 . 1 . . . . . 89 GLN CA . 51696 1 431 . 1 . 1 93 93 GLN CB C 13 28.945 0.057 . 1 . . . . . 89 GLN CB . 51696 1 432 . 1 . 1 93 93 GLN N N 15 124.267 0.046 . 1 . . . . . 89 GLN N . 51696 1 433 . 1 . 1 94 94 GLY H H 1 7.529 0.005 . 1 . . . . . 90 GLY HN . 51696 1 434 . 1 . 1 94 94 GLY C C 13 175.014 0.033 . 1 . . . . . 90 GLY CO . 51696 1 435 . 1 . 1 94 94 GLY CA C 13 43.965 0.065 . 1 . . . . . 90 GLY CA . 51696 1 436 . 1 . 1 94 94 GLY N N 15 108.853 0.05 . 1 . . . . . 90 GLY N . 51696 1 437 . 1 . 1 95 95 SER H H 1 8.269 0.004 . 1 . . . . . 91 SER HN . 51696 1 438 . 1 . 1 95 95 SER C C 13 174.722 0 . 1 . . . . . 91 SER CO . 51696 1 439 . 1 . 1 95 95 SER CA C 13 60.622 0.147 . 1 . . . . . 91 SER CA . 51696 1 440 . 1 . 1 95 95 SER CB C 13 64.264 0.063 . 1 . . . . . 91 SER CB . 51696 1 441 . 1 . 1 95 95 SER N N 15 118.33 0.078 . 1 . . . . . 91 SER N . 51696 1 442 . 1 . 1 96 96 GLY H H 1 8.285 0.002 . 1 . . . . . 92 GLY HN . 51696 1 443 . 1 . 1 96 96 GLY C C 13 171.155 0.023 . 1 . . . . . 92 GLY CO . 51696 1 444 . 1 . 1 96 96 GLY CA C 13 43.753 0.068 . 1 . . . . . 92 GLY CA . 51696 1 445 . 1 . 1 96 96 GLY N N 15 110.368 0.034 . 1 . . . . . 92 GLY N . 51696 1 446 . 1 . 1 97 97 TYR H H 1 8.155 0.002 . 1 . . . . . 93 TYR HN . 51696 1 447 . 1 . 1 97 97 TYR C C 13 176.037 0.032 . 1 . . . . . 93 TYR CO . 51696 1 448 . 1 . 1 97 97 TYR CA C 13 57.496 0.074 . 1 . . . . . 93 TYR CA . 51696 1 449 . 1 . 1 97 97 TYR CB C 13 37.467 0 . 1 . . . . . 93 TYR CB . 51696 1 450 . 1 . 1 97 97 TYR N N 15 117.763 0.051 . 1 . . . . . 93 TYR N . 51696 1 451 . 1 . 1 99 99 PHE C C 13 176.95 0.007 . 1 . . . . . 95 PHE CO . 51696 1 452 . 1 . 1 99 99 PHE CA C 13 54.449 0.03 . 1 . . . . . 95 PHE CA . 51696 1 453 . 1 . 1 99 99 PHE CB C 13 36.69 0.023 . 1 . . . . . 95 PHE CB . 51696 1 454 . 1 . 1 100 100 THR H H 1 7.216 0.002 . 1 . . . . . 96 THR HN . 51696 1 455 . 1 . 1 100 100 THR C C 13 171.927 0.003 . 1 . . . . . 96 THR CO . 51696 1 456 . 1 . 1 100 100 THR CA C 13 59.614 0.044 . 1 . . . . . 96 THR CA . 51696 1 457 . 1 . 1 100 100 THR CB C 13 73.526 0.019 . 1 . . . . . 96 THR CB . 51696 1 458 . 1 . 1 100 100 THR N N 15 109.866 0.04 . 1 . . . . . 96 THR N . 51696 1 459 . 1 . 1 101 101 PHE H H 1 8.752 0.006 . 1 . . . . . 97 PHE HN . 51696 1 460 . 1 . 1 101 101 PHE C C 13 179.487 0.009 . 1 . . . . . 97 PHE CO . 51696 1 461 . 1 . 1 101 101 PHE CA C 13 55.918 0.048 . 1 . . . . . 97 PHE CA . 51696 1 462 . 1 . 1 101 101 PHE CB C 13 42.688 0.033 . 1 . . . . . 97 PHE CB . 51696 1 463 . 1 . 1 101 101 PHE N N 15 116.878 0.093 . 1 . . . . . 97 PHE N . 51696 1 464 . 1 . 1 102 102 GLY H H 1 9.031 0.002 . 1 . . . . . 98 GLY HN . 51696 1 465 . 1 . 1 102 102 GLY C C 13 173.78 0.005 . 1 . . . . . 98 GLY CO . 51696 1 466 . 1 . 1 102 102 GLY CA C 13 44.557 0.041 . 1 . . . . . 98 GLY CA . 51696 1 467 . 1 . 1 102 102 GLY N N 15 108.266 0.058 . 1 . . . . . 98 GLY N . 51696 1 468 . 1 . 1 103 103 GLY H H 1 7.736 0.003 . 1 . . . . . 99 GLY HN . 51696 1 469 . 1 . 1 103 103 GLY C C 13 176.109 0.013 . 1 . . . . . 99 GLY CO . 51696 1 470 . 1 . 1 103 103 GLY CA C 13 46.275 0.046 . 1 . . . . . 99 GLY CA . 51696 1 471 . 1 . 1 103 103 GLY N N 15 101.631 0.041 . 1 . . . . . 99 GLY N . 51696 1 472 . 1 . 1 104 104 GLY H H 1 7.097 0.003 . 1 . . . . . 100 GLY HN . 51696 1 473 . 1 . 1 104 104 GLY C C 13 173.537 0.033 . 1 . . . . . 100 GLY CO . 51696 1 474 . 1 . 1 104 104 GLY CA C 13 44.641 0.038 . 1 . . . . . 100 GLY CA . 51696 1 475 . 1 . 1 104 104 GLY N N 15 106.657 0.054 . 1 . . . . . 100 GLY N . 51696 1 476 . 1 . 1 105 105 THR H H 1 7.972 0.007 . 1 . . . . . 101 THR HN . 51696 1 477 . 1 . 1 105 105 THR C C 13 174.178 0.024 . 1 . . . . . 101 THR CO . 51696 1 478 . 1 . 1 105 105 THR CA C 13 61.534 0.036 . 1 . . . . . 101 THR CA . 51696 1 479 . 1 . 1 105 105 THR CB C 13 72.39 0.016 . 1 . . . . . 101 THR CB . 51696 1 480 . 1 . 1 105 105 THR N N 15 118.725 0.046 . 1 . . . . . 101 THR N . 51696 1 481 . 1 . 1 106 106 LYS H H 1 8.396 0.003 . 1 . . . . . 102 LYS HN . 51696 1 482 . 1 . 1 106 106 LYS C C 13 175.042 0.02 . 1 . . . . . 102 LYS CO . 51696 1 483 . 1 . 1 106 106 LYS CA C 13 56.051 0.089 . 1 . . . . . 102 LYS CA . 51696 1 484 . 1 . 1 106 106 LYS CB C 13 32.934 0.049 . 1 . . . . . 102 LYS CB . 51696 1 485 . 1 . 1 106 106 LYS N N 15 130.938 0.051 . 1 . . . . . 102 LYS N . 51696 1 486 . 1 . 1 107 107 VAL H H 1 8.605 0.005 . 1 . . . . . 103 VAL HN . 51696 1 487 . 1 . 1 107 107 VAL C C 13 174.865 0.007 . 1 . . . . . 103 VAL CO . 51696 1 488 . 1 . 1 107 107 VAL CA C 13 61.786 0.044 . 1 . . . . . 103 VAL CA . 51696 1 489 . 1 . 1 107 107 VAL CB C 13 32.232 0 . 1 . . . . . 103 VAL CB . 51696 1 490 . 1 . 1 107 107 VAL N N 15 129.009 0.089 . 1 . . . . . 103 VAL N . 51696 1 491 . 1 . 1 108 108 GLU H H 1 9.001 0.003 . 1 . . . . . 104 GLU HN . 51696 1 492 . 1 . 1 108 108 GLU C C 13 174.689 0.029 . 1 . . . . . 104 GLU CO . 51696 1 493 . 1 . 1 108 108 GLU CA C 13 54.186 0.025 . 1 . . . . . 104 GLU CA . 51696 1 494 . 1 . 1 108 108 GLU CB C 13 32.188 0.022 . 1 . . . . . 104 GLU CB . 51696 1 495 . 1 . 1 108 108 GLU N N 15 127.364 0.083 . 1 . . . . . 104 GLU N . 51696 1 496 . 1 . 1 109 109 ILE H H 1 8.946 0.006 . 1 . . . . . 105 ILE HN . 51696 1 497 . 1 . 1 109 109 ILE C C 13 177.286 0.014 . 1 . . . . . 105 ILE CO . 51696 1 498 . 1 . 1 109 109 ILE CA C 13 59.286 0.061 . 1 . . . . . 105 ILE CA . 51696 1 499 . 1 . 1 109 109 ILE CB C 13 36.982 0.134 . 1 . . . . . 105 ILE CB . 51696 1 500 . 1 . 1 109 109 ILE N N 15 123.523 0.043 . 1 . . . . . 105 ILE N . 51696 1 501 . 1 . 1 110 110 LYS H H 1 8.345 0.004 . 1 . . . . . 106 LYS HN . 51696 1 502 . 1 . 1 110 110 LYS C C 13 175.114 0.008 . 1 . . . . . 106 LYS CO . 51696 1 503 . 1 . 1 110 110 LYS CA C 13 55.193 0.048 . 1 . . . . . 106 LYS CA . 51696 1 504 . 1 . 1 110 110 LYS CB C 13 32.319 0.032 . 1 . . . . . 106 LYS CB . 51696 1 505 . 1 . 1 110 110 LYS N N 15 128.773 0.062 . 1 . . . . . 106 LYS N . 51696 1 506 . 1 . 1 111 111 ARG H H 1 6.005 0.003 . 1 . . . . . 107 ARG HN . 51696 1 507 . 1 . 1 111 111 ARG C C 13 174.508 0.004 . 1 . . . . . 107 ARG CO . 51696 1 508 . 1 . 1 111 111 ARG CA C 13 54.28 0.052 . 1 . . . . . 107 ARG CA . 51696 1 509 . 1 . 1 111 111 ARG CB C 13 29.237 0.093 . 1 . . . . . 107 ARG CB . 51696 1 510 . 1 . 1 111 111 ARG N N 15 119.155 0.057 . 1 . . . . . 107 ARG N . 51696 1 511 . 1 . 1 112 112 THR H H 1 7.62 0.002 . 1 . . . . . 108 THR HN . 51696 1 512 . 1 . 1 112 112 THR C C 13 175.954 0.129 . 1 . . . . . 108 THR CO . 51696 1 513 . 1 . 1 112 112 THR CA C 13 61.44 0.043 . 1 . . . . . 108 THR CA . 51696 1 514 . 1 . 1 112 112 THR CB C 13 69.839 0.009 . 1 . . . . . 108 THR CB . 51696 1 515 . 1 . 1 112 112 THR N N 15 109.205 0.049 . 1 . . . . . 108 THR N . 51696 1 516 . 1 . 1 113 113 VAL H H 1 8.298 0.002 . 1 . . . . . 109 VAL HN . 51696 1 517 . 1 . 1 113 113 VAL C C 13 175.772 0.059 . 1 . . . . . 109 VAL CO . 51696 1 518 . 1 . 1 113 113 VAL CA C 13 63.692 0.024 . 1 . . . . . 109 VAL CA . 51696 1 519 . 1 . 1 113 113 VAL CB C 13 31.213 0.025 . 1 . . . . . 109 VAL CB . 51696 1 520 . 1 . 1 113 113 VAL N N 15 122.573 0.045 . 1 . . . . . 109 VAL N . 51696 1 521 . 1 . 1 114 114 ALA H H 1 9.556 0.003 . 1 . . . . . 110 ALA HN . 51696 1 522 . 1 . 1 114 114 ALA C C 13 176.239 0.026 . 1 . . . . . 110 ALA CO . 51696 1 523 . 1 . 1 114 114 ALA CA C 13 50.769 0.045 . 1 . . . . . 110 ALA CA . 51696 1 524 . 1 . 1 114 114 ALA CB C 13 20.104 0.027 . 1 . . . . . 110 ALA CB . 51696 1 525 . 1 . 1 114 114 ALA N N 15 131.439 0.038 . 1 . . . . . 110 ALA N . 51696 1 526 . 1 . 1 115 115 ALA H H 1 8.722 0.003 . 1 . . . . . 111 ALA HN . 51696 1 527 . 1 . 1 115 115 ALA C C 13 175.218 0 . 1 . . . . . 111 ALA CO . 51696 1 528 . 1 . 1 115 115 ALA CA C 13 49.486 0.009 . 1 . . . . . 111 ALA CA . 51696 1 529 . 1 . 1 115 115 ALA CB C 13 16.982 0 . 1 . . . . . 111 ALA CB . 51696 1 530 . 1 . 1 115 115 ALA N N 15 125.724 0.042 . 1 . . . . . 111 ALA N . 51696 1 531 . 1 . 1 116 116 PRO CA C 13 61.87 0.034 . 1 . . . . . 112 PRO CA . 51696 1 532 . 1 . 1 116 116 PRO CB C 13 30.2 0.023 . 1 . . . . . 112 PRO CB . 51696 1 533 . 1 . 1 117 117 SER H H 1 7.866 0.003 . 1 . . . . . 113 SER HN . 51696 1 534 . 1 . 1 117 117 SER C C 13 173.98 0.007 . 1 . . . . . 113 SER CO . 51696 1 535 . 1 . 1 117 117 SER CA C 13 57.732 0.042 . 1 . . . . . 113 SER CA . 51696 1 536 . 1 . 1 117 117 SER CB C 13 63.487 0.009 . 1 . . . . . 113 SER CB . 51696 1 537 . 1 . 1 117 117 SER N N 15 117.095 0.051 . 1 . . . . . 113 SER N . 51696 1 538 . 1 . 1 118 118 VAL H H 1 8.06 0.002 . 1 . . . . . 114 VAL HN . 51696 1 539 . 1 . 1 118 118 VAL C C 13 174.645 0.022 . 1 . . . . . 114 VAL CO . 51696 1 540 . 1 . 1 118 118 VAL CA C 13 60.881 0.094 . 1 . . . . . 114 VAL CA . 51696 1 541 . 1 . 1 118 118 VAL CB C 13 32.477 0.093 . 1 . . . . . 114 VAL CB . 51696 1 542 . 1 . 1 118 118 VAL N N 15 125.276 0.04 . 1 . . . . . 114 VAL N . 51696 1 543 . 1 . 1 119 119 PHE H H 1 9.047 0.003 . 1 . . . . . 115 PHE HN . 51696 1 544 . 1 . 1 119 119 PHE C C 13 173.191 0.014 . 1 . . . . . 115 PHE CO . 51696 1 545 . 1 . 1 119 119 PHE CA C 13 55.333 0.051 . 1 . . . . . 115 PHE CA . 51696 1 546 . 1 . 1 119 119 PHE CB C 13 42.331 0 . 1 . . . . . 115 PHE CB . 51696 1 547 . 1 . 1 119 119 PHE N N 15 125.206 0.05 . 1 . . . . . 115 PHE N . 51696 1 548 . 1 . 1 120 120 ILE H H 1 8.111 0.002 . 1 . . . . . 116 ILE HN . 51696 1 549 . 1 . 1 120 120 ILE C C 13 172.817 0.073 . 1 . . . . . 116 ILE CO . 51696 1 550 . 1 . 1 120 120 ILE CA C 13 58.596 0.057 . 1 . . . . . 116 ILE CA . 51696 1 551 . 1 . 1 120 120 ILE CB C 13 42.051 0.082 . 1 . . . . . 116 ILE CB . 51696 1 552 . 1 . 1 120 120 ILE N N 15 120.146 0.063 . 1 . . . . . 116 ILE N . 51696 1 553 . 1 . 1 121 121 PHE H H 1 9.138 0.002 . 1 . . . . . 117 PHE HN . 51696 1 554 . 1 . 1 121 121 PHE C C 13 173.591 0 . 1 . . . . . 117 PHE CO . 51696 1 555 . 1 . 1 121 121 PHE CA C 13 53.965 0.025 . 1 . . . . . 117 PHE CA . 51696 1 556 . 1 . 1 121 121 PHE CB C 13 41.004 0 . 1 . . . . . 117 PHE CB . 51696 1 557 . 1 . 1 121 121 PHE N N 15 124.386 0.06 . 1 . . . . . 117 PHE N . 51696 1 558 . 1 . 1 123 123 PRO C C 13 177.095 0.009 . 1 . . . . . 119 PRO CO . 51696 1 559 . 1 . 1 123 123 PRO CA C 13 61.935 0.053 . 1 . . . . . 119 PRO CA . 51696 1 560 . 1 . 1 123 123 PRO CB C 13 30.437 0.039 . 1 . . . . . 119 PRO CB . 51696 1 561 . 1 . 1 124 124 SER H H 1 9.378 0.006 . 1 . . . . . 120 SER HN . 51696 1 562 . 1 . 1 124 124 SER C C 13 175.576 0.014 . 1 . . . . . 120 SER CO . 51696 1 563 . 1 . 1 124 124 SER CA C 13 57.225 0.045 . 1 . . . . . 120 SER CA . 51696 1 564 . 1 . 1 124 124 SER CB C 13 65.267 0.026 . 1 . . . . . 120 SER CB . 51696 1 565 . 1 . 1 124 124 SER N N 15 119.146 0.053 . 1 . . . . . 120 SER N . 51696 1 566 . 1 . 1 125 125 ASP H H 1 8.848 0.004 . 1 . . . . . 121 ASP HN . 51696 1 567 . 1 . 1 125 125 ASP C C 13 179.716 0.002 . 1 . . . . . 121 ASP CO . 51696 1 568 . 1 . 1 125 125 ASP CA C 13 57.296 0.044 . 1 . . . . . 121 ASP CA . 51696 1 569 . 1 . 1 125 125 ASP CB C 13 39.739 0.018 . 1 . . . . . 121 ASP CB . 51696 1 570 . 1 . 1 125 125 ASP N N 15 123.974 0.054 . 1 . . . . . 121 ASP N . 51696 1 571 . 1 . 1 126 126 GLU H H 1 8.885 0.005 . 1 . . . . . 122 GLU HN . 51696 1 572 . 1 . 1 126 126 GLU C C 13 179.267 0.016 . 1 . . . . . 122 GLU CO . 51696 1 573 . 1 . 1 126 126 GLU CA C 13 59.401 0.06 . 1 . . . . . 122 GLU CA . 51696 1 574 . 1 . 1 126 126 GLU CB C 13 28.911 0.03 . 1 . . . . . 122 GLU CB . 51696 1 575 . 1 . 1 126 126 GLU N N 15 118.826 0.054 . 1 . . . . . 122 GLU N . 51696 1 576 . 1 . 1 127 127 GLN H H 1 7.666 0.004 . 1 . . . . . 123 GLN HN . 51696 1 577 . 1 . 1 127 127 GLN C C 13 180.24 0.009 . 1 . . . . . 123 GLN CO . 51696 1 578 . 1 . 1 127 127 GLN CA C 13 58.629 0.05 . 1 . . . . . 123 GLN CA . 51696 1 579 . 1 . 1 127 127 GLN CB C 13 25.496 0.046 . 1 . . . . . 123 GLN CB . 51696 1 580 . 1 . 1 127 127 GLN N N 15 121.311 0.049 . 1 . . . . . 123 GLN N . 51696 1 581 . 1 . 1 128 128 LEU H H 1 7.817 0.003 . 1 . . . . . 124 LEU HN . 51696 1 582 . 1 . 1 128 128 LEU C C 13 180.658 0.021 . 1 . . . . . 124 LEU CO . 51696 1 583 . 1 . 1 128 128 LEU CA C 13 57.727 0.064 . 1 . . . . . 124 LEU CA . 51696 1 584 . 1 . 1 128 128 LEU CB C 13 40.51 0.045 . 1 . . . . . 124 LEU CB . 51696 1 585 . 1 . 1 128 128 LEU N N 15 121.756 0.066 . 1 . . . . . 124 LEU N . 51696 1 586 . 1 . 1 129 129 LYS H H 1 7.623 0.004 . 1 . . . . . 125 LYS HN . 51696 1 587 . 1 . 1 129 129 LYS C C 13 178.394 0.019 . 1 . . . . . 125 LYS CO . 51696 1 588 . 1 . 1 129 129 LYS CA C 13 58.555 0.032 . 1 . . . . . 125 LYS CA . 51696 1 589 . 1 . 1 129 129 LYS CB C 13 31.553 0.121 . 1 . . . . . 125 LYS CB . 51696 1 590 . 1 . 1 129 129 LYS N N 15 118.104 0.082 . 1 . . . . . 125 LYS N . 51696 1 591 . 1 . 1 130 130 SER H H 1 7.923 0.003 . 1 . . . . . 126 SER HN . 51696 1 592 . 1 . 1 130 130 SER C C 13 175.855 0.054 . 1 . . . . . 126 SER CO . 51696 1 593 . 1 . 1 130 130 SER CA C 13 59.019 0.06 . 1 . . . . . 126 SER CA . 51696 1 594 . 1 . 1 130 130 SER CB C 13 64.32 0.005 . 1 . . . . . 126 SER CB . 51696 1 595 . 1 . 1 130 130 SER N N 15 114.428 0.052 . 1 . . . . . 126 SER N . 51696 1 596 . 1 . 1 131 131 GLY H H 1 7.904 0.002 . 1 . . . . . 127 GLY HN . 51696 1 597 . 1 . 1 131 131 GLY C C 13 174.941 0.002 . 1 . . . . . 127 GLY CO . 51696 1 598 . 1 . 1 131 131 GLY CA C 13 45.611 0.03 . 1 . . . . . 127 GLY CA . 51696 1 599 . 1 . 1 131 131 GLY N N 15 108.331 0.037 . 1 . . . . . 127 GLY N . 51696 1 600 . 1 . 1 132 132 THR H H 1 7.455 0.002 . 1 . . . . . 128 THR HN . 51696 1 601 . 1 . 1 132 132 THR C C 13 170.162 0.024 . 1 . . . . . 128 THR CO . 51696 1 602 . 1 . 1 132 132 THR CA C 13 61.048 0.047 . 1 . . . . . 128 THR CA . 51696 1 603 . 1 . 1 132 132 THR CB C 13 71.991 0.034 . 1 . . . . . 128 THR CB . 51696 1 604 . 1 . 1 132 132 THR N N 15 116.713 0.047 . 1 . . . . . 128 THR N . 51696 1 605 . 1 . 1 133 133 ALA H H 1 8.599 0.003 . 1 . . . . . 129 ALA HN . 51696 1 606 . 1 . 1 133 133 ALA C C 13 174.979 0.024 . 1 . . . . . 129 ALA CO . 51696 1 607 . 1 . 1 133 133 ALA CA C 13 50.23 0.027 . 1 . . . . . 129 ALA CA . 51696 1 608 . 1 . 1 133 133 ALA CB C 13 21.425 0.012 . 1 . . . . . 129 ALA CB . 51696 1 609 . 1 . 1 133 133 ALA N N 15 121.904 0.045 . 1 . . . . . 129 ALA N . 51696 1 610 . 1 . 1 134 134 SER H H 1 7.458 0.002 . 1 . . . . . 130 SER HN . 51696 1 611 . 1 . 1 134 134 SER C C 13 172.603 0.026 . 1 . . . . . 130 SER CO . 51696 1 612 . 1 . 1 134 134 SER CA C 13 57.265 0.059 . 1 . . . . . 130 SER CA . 51696 1 613 . 1 . 1 134 134 SER CB C 13 61.973 0.002 . 1 . . . . . 130 SER CB . 51696 1 614 . 1 . 1 134 134 SER N N 15 117.137 0.065 . 1 . . . . . 130 SER N . 51696 1 615 . 1 . 1 135 135 VAL H H 1 9.101 0.002 . 1 . . . . . 131 VAL HN . 51696 1 616 . 1 . 1 135 135 VAL C C 13 175.275 0.058 . 1 . . . . . 131 VAL CO . 51696 1 617 . 1 . 1 135 135 VAL CA C 13 60.237 0.049 . 1 . . . . . 131 VAL CA . 51696 1 618 . 1 . 1 135 135 VAL CB C 13 31.406 0.096 . 1 . . . . . 131 VAL CB . 51696 1 619 . 1 . 1 135 135 VAL N N 15 127.11 0.059 . 1 . . . . . 131 VAL N . 51696 1 620 . 1 . 1 136 136 VAL H H 1 7.957 0.002 . 1 . . . . . 132 VAL HN . 51696 1 621 . 1 . 1 136 136 VAL C C 13 174.768 0.02 . 1 . . . . . 132 VAL CO . 51696 1 622 . 1 . 1 136 136 VAL CA C 13 61.286 0.075 . 1 . . . . . 132 VAL CA . 51696 1 623 . 1 . 1 136 136 VAL CB C 13 34.509 0.05 . 1 . . . . . 132 VAL CB . 51696 1 624 . 1 . 1 136 136 VAL N N 15 125.587 0.054 . 1 . . . . . 132 VAL N . 51696 1 625 . 1 . 1 137 137 CYS H H 1 9.732 0.003 . 1 . . . . . 133 CYS HN . 51696 1 626 . 1 . 1 137 137 CYS C C 13 172.375 0.029 . 1 . . . . . 133 CYS CO . 51696 1 627 . 1 . 1 137 137 CYS CA C 13 54.03 0.081 . 1 . . . . . 133 CYS CA . 51696 1 628 . 1 . 1 137 137 CYS CB C 13 43.855 0.018 . 1 . . . . . 133 CYS CB . 51696 1 629 . 1 . 1 137 137 CYS N N 15 127.996 0.034 . 1 . . . . . 133 CYS N . 51696 1 630 . 1 . 1 138 138 LEU H H 1 9.412 0.003 . 1 . . . . . 134 LEU HN . 51696 1 631 . 1 . 1 138 138 LEU C C 13 173.502 0.024 . 1 . . . . . 134 LEU CO . 51696 1 632 . 1 . 1 138 138 LEU CA C 13 52.896 0.072 . 1 . . . . . 134 LEU CA . 51696 1 633 . 1 . 1 138 138 LEU CB C 13 45.846 0.018 . 1 . . . . . 134 LEU CB . 51696 1 634 . 1 . 1 138 138 LEU N N 15 128.545 0.053 . 1 . . . . . 134 LEU N . 51696 1 635 . 1 . 1 139 139 LEU H H 1 9.562 0.002 . 1 . . . . . 135 LEU HN . 51696 1 636 . 1 . 1 139 139 LEU C C 13 175.679 0.002 . 1 . . . . . 135 LEU CO . 51696 1 637 . 1 . 1 139 139 LEU CA C 13 53.944 0.064 . 1 . . . . . 135 LEU CA . 51696 1 638 . 1 . 1 139 139 LEU CB C 13 42.978 0.008 . 1 . . . . . 135 LEU CB . 51696 1 639 . 1 . 1 139 139 LEU N N 15 128.307 0.025 . 1 . . . . . 135 LEU N . 51696 1 640 . 1 . 1 140 140 ASN H H 1 9.435 0.004 . 1 . . . . . 136 ASN HN . 51696 1 641 . 1 . 1 140 140 ASN C C 13 175.559 0.058 . 1 . . . . . 136 ASN CO . 51696 1 642 . 1 . 1 140 140 ASN CA C 13 51.848 0.041 . 1 . . . . . 136 ASN CA . 51696 1 643 . 1 . 1 140 140 ASN CB C 13 41.879 0.05 . 1 . . . . . 136 ASN CB . 51696 1 644 . 1 . 1 140 140 ASN N N 15 122.766 0.056 . 1 . . . . . 136 ASN N . 51696 1 645 . 1 . 1 141 141 ASN H H 1 8.219 0.003 . 1 . . . . . 137 ASN HN . 51696 1 646 . 1 . 1 141 141 ASN C C 13 172.451 0.036 . 1 . . . . . 137 ASN CO . 51696 1 647 . 1 . 1 141 141 ASN CA C 13 53.799 0.063 . 1 . . . . . 137 ASN CA . 51696 1 648 . 1 . 1 141 141 ASN CB C 13 36.765 0.092 . 1 . . . . . 137 ASN CB . 51696 1 649 . 1 . 1 141 141 ASN N N 15 122.973 0.047 . 1 . . . . . 137 ASN N . 51696 1 650 . 1 . 1 142 142 PHE H H 1 9.187 0.003 . 1 . . . . . 138 PHE HN . 51696 1 651 . 1 . 1 142 142 PHE C C 13 174.525 0.017 . 1 . . . . . 138 PHE CO . 51696 1 652 . 1 . 1 142 142 PHE CA C 13 54.412 0.051 . 1 . . . . . 138 PHE CA . 51696 1 653 . 1 . 1 142 142 PHE CB C 13 42.65 0.019 . 1 . . . . . 138 PHE CB . 51696 1 654 . 1 . 1 142 142 PHE N N 15 117.031 0.05 . 1 . . . . . 138 PHE N . 51696 1 655 . 1 . 1 143 143 TYR H H 1 9.345 0.003 . 1 . . . . . 139 TYR HN . 51696 1 656 . 1 . 1 143 143 TYR C C 13 175.204 0 . 1 . . . . . 139 TYR CO . 51696 1 657 . 1 . 1 143 143 TYR CA C 13 58.88 0.011 . 1 . . . . . 139 TYR CA . 51696 1 658 . 1 . 1 143 143 TYR CB C 13 41.534 0 . 1 . . . . . 139 TYR CB . 51696 1 659 . 1 . 1 143 143 TYR N N 15 120.407 0.037 . 1 . . . . . 139 TYR N . 51696 1 660 . 1 . 1 144 144 PRO C C 13 175.803 0.002 . 1 . . . . . 140 PRO CO . 51696 1 661 . 1 . 1 144 144 PRO CA C 13 61.767 0.049 . 1 . . . . . 140 PRO CA . 51696 1 662 . 1 . 1 144 144 PRO CB C 13 34.571 0.007 . 1 . . . . . 140 PRO CB . 51696 1 663 . 1 . 1 145 145 ARG H H 1 8.195 0.002 . 1 . . . . . 141 ARG HN . 51696 1 664 . 1 . 1 145 145 ARG C C 13 176.12 0.063 . 1 . . . . . 141 ARG CO . 51696 1 665 . 1 . 1 145 145 ARG CA C 13 57.885 0.034 . 1 . . . . . 141 ARG CA . 51696 1 666 . 1 . 1 145 145 ARG CB C 13 29.128 0.054 . 1 . . . . . 141 ARG CB . 51696 1 667 . 1 . 1 145 145 ARG N N 15 117.692 0.041 . 1 . . . . . 141 ARG N . 51696 1 668 . 1 . 1 146 146 GLU H H 1 7.397 0.002 . 1 . . . . . 142 GLU HN . 51696 1 669 . 1 . 1 146 146 GLU C C 13 175.327 0.012 . 1 . . . . . 142 GLU CO . 51696 1 670 . 1 . 1 146 146 GLU CA C 13 57.796 0.04 . 1 . . . . . 142 GLU CA . 51696 1 671 . 1 . 1 146 146 GLU CB C 13 27.841 0.017 . 1 . . . . . 142 GLU CB . 51696 1 672 . 1 . 1 146 146 GLU N N 15 117.182 0.053 . 1 . . . . . 142 GLU N . 51696 1 673 . 1 . 1 147 147 ALA H H 1 7.617 0.002 . 1 . . . . . 143 ALA HN . 51696 1 674 . 1 . 1 147 147 ALA C C 13 175.89 0.043 . 1 . . . . . 143 ALA CO . 51696 1 675 . 1 . 1 147 147 ALA CA C 13 50.902 0.032 . 1 . . . . . 143 ALA CA . 51696 1 676 . 1 . 1 147 147 ALA CB C 13 20.727 0.019 . 1 . . . . . 143 ALA CB . 51696 1 677 . 1 . 1 147 147 ALA N N 15 125.578 0.067 . 1 . . . . . 143 ALA N . 51696 1 678 . 1 . 1 148 148 LYS H H 1 8.2 0.002 . 1 . . . . . 144 LYS HN . 51696 1 679 . 1 . 1 148 148 LYS C C 13 174.852 0.046 . 1 . . . . . 144 LYS CO . 51696 1 680 . 1 . 1 148 148 LYS CA C 13 54.782 0.093 . 1 . . . . . 144 LYS CA . 51696 1 681 . 1 . 1 148 148 LYS CB C 13 33.758 0.019 . 1 . . . . . 144 LYS CB . 51696 1 682 . 1 . 1 148 148 LYS N N 15 121.876 0.048 . 1 . . . . . 144 LYS N . 51696 1 683 . 1 . 1 149 149 VAL H H 1 8.668 0.003 . 1 . . . . . 145 VAL HN . 51696 1 684 . 1 . 1 149 149 VAL C C 13 175.929 0.039 . 1 . . . . . 145 VAL CO . 51696 1 685 . 1 . 1 149 149 VAL CA C 13 60.615 0.048 . 1 . . . . . 145 VAL CA . 51696 1 686 . 1 . 1 149 149 VAL CB C 13 32.639 0.062 . 1 . . . . . 145 VAL CB . 51696 1 687 . 1 . 1 149 149 VAL N N 15 126.078 0.026 . 1 . . . . . 145 VAL N . 51696 1 688 . 1 . 1 150 150 GLN H H 1 8.903 0.004 . 1 . . . . . 146 GLN HN . 51696 1 689 . 1 . 1 150 150 GLN C C 13 174.352 0.029 . 1 . . . . . 146 GLN CO . 51696 1 690 . 1 . 1 150 150 GLN CA C 13 53.643 0.049 . 1 . . . . . 146 GLN CA . 51696 1 691 . 1 . 1 150 150 GLN CB C 13 31.688 0.049 . 1 . . . . . 146 GLN CB . 51696 1 692 . 1 . 1 150 150 GLN N N 15 126.188 0.072 . 1 . . . . . 146 GLN N . 51696 1 693 . 1 . 1 151 151 TRP H H 1 9.071 0.003 . 1 . . . . . 147 TRP HN . 51696 1 694 . 1 . 1 151 151 TRP C C 13 176.792 0.025 . 1 . . . . . 147 TRP CO . 51696 1 695 . 1 . 1 151 151 TRP CA C 13 56.406 0.046 . 1 . . . . . 147 TRP CA . 51696 1 696 . 1 . 1 151 151 TRP CB C 13 30.962 0.036 . 1 . . . . . 147 TRP CB . 51696 1 697 . 1 . 1 151 151 TRP N N 15 124.169 0.041 . 1 . . . . . 147 TRP N . 51696 1 698 . 1 . 1 152 152 LYS H H 1 9.329 0.002 . 1 . . . . . 148 LYS HN . 51696 1 699 . 1 . 1 152 152 LYS C C 13 175.704 0.024 . 1 . . . . . 148 LYS CO . 51696 1 700 . 1 . 1 152 152 LYS CA C 13 54.445 0.026 . 1 . . . . . 148 LYS CA . 51696 1 701 . 1 . 1 152 152 LYS CB C 13 35.63 0.017 . 1 . . . . . 148 LYS CB . 51696 1 702 . 1 . 1 152 152 LYS N N 15 122.019 0.038 . 1 . . . . . 148 LYS N . 51696 1 703 . 1 . 1 153 153 VAL H H 1 8.145 0.003 . 1 . . . . . 149 VAL HN . 51696 1 704 . 1 . 1 153 153 VAL C C 13 177.134 0.018 . 1 . . . . . 149 VAL CO . 51696 1 705 . 1 . 1 153 153 VAL CA C 13 59.831 0.026 . 1 . . . . . 149 VAL CA . 51696 1 706 . 1 . 1 153 153 VAL CB C 13 33.002 0.047 . 1 . . . . . 149 VAL CB . 51696 1 707 . 1 . 1 153 153 VAL N N 15 123.18 0.05 . 1 . . . . . 149 VAL N . 51696 1 708 . 1 . 1 154 154 ASP H H 1 9.846 0.003 . 1 . . . . . 150 ASP HN . 51696 1 709 . 1 . 1 154 154 ASP C C 13 175.915 0.02 . 1 . . . . . 150 ASP CO . 51696 1 710 . 1 . 1 154 154 ASP CA C 13 56.33 0.072 . 1 . . . . . 150 ASP CA . 51696 1 711 . 1 . 1 154 154 ASP CB C 13 39.018 0.022 . 1 . . . . . 150 ASP CB . 51696 1 712 . 1 . 1 154 154 ASP N N 15 131.438 0.036 . 1 . . . . . 150 ASP N . 51696 1 713 . 1 . 1 155 155 ASN H H 1 9.022 0.003 . 1 . . . . . 151 ASN HN . 51696 1 714 . 1 . 1 155 155 ASN C C 13 173.746 0.002 . 1 . . . . . 151 ASN CO . 51696 1 715 . 1 . 1 155 155 ASN CA C 13 54.67 0.034 . 1 . . . . . 151 ASN CA . 51696 1 716 . 1 . 1 155 155 ASN CB C 13 37.897 0.039 . 1 . . . . . 151 ASN CB . 51696 1 717 . 1 . 1 155 155 ASN N N 15 109.418 0.057 . 1 . . . . . 151 ASN N . 51696 1 718 . 1 . 1 156 156 ALA H H 1 7.869 0.002 . 1 . . . . . 152 ALA HN . 51696 1 719 . 1 . 1 156 156 ALA C C 13 178.576 0.009 . 1 . . . . . 152 ALA CO . 51696 1 720 . 1 . 1 156 156 ALA CA C 13 50.612 0.028 . 1 . . . . . 152 ALA CA . 51696 1 721 . 1 . 1 156 156 ALA CB C 13 18.734 0.06 . 1 . . . . . 152 ALA CB . 51696 1 722 . 1 . 1 156 156 ALA N N 15 123.721 0.043 . 1 . . . . . 152 ALA N . 51696 1 723 . 1 . 1 157 157 LEU H H 1 8.756 0.003 . 1 . . . . . 153 LEU HN . 51696 1 724 . 1 . 1 157 157 LEU C C 13 177.562 0.009 . 1 . . . . . 153 LEU CO . 51696 1 725 . 1 . 1 157 157 LEU CA C 13 55.756 0.049 . 1 . . . . . 153 LEU CA . 51696 1 726 . 1 . 1 157 157 LEU CB C 13 41.249 0.04 . 1 . . . . . 153 LEU CB . 51696 1 727 . 1 . 1 157 157 LEU N N 15 128.512 0.04 . 1 . . . . . 153 LEU N . 51696 1 728 . 1 . 1 158 158 GLN H H 1 8.469 0.002 . 1 . . . . . 154 GLN HN . 51696 1 729 . 1 . 1 158 158 GLN C C 13 176.151 0.006 . 1 . . . . . 154 GLN CO . 51696 1 730 . 1 . 1 158 158 GLN CA C 13 53.327 0.032 . 1 . . . . . 154 GLN CA . 51696 1 731 . 1 . 1 158 158 GLN CB C 13 29.87 0.025 . 1 . . . . . 154 GLN CB . 51696 1 732 . 1 . 1 158 158 GLN N N 15 124.838 0.063 . 1 . . . . . 154 GLN N . 51696 1 733 . 1 . 1 159 159 SER H H 1 8.469 0.003 . 1 . . . . . 155 SER HN . 51696 1 734 . 1 . 1 159 159 SER C C 13 175.149 0.028 . 1 . . . . . 155 SER CO . 51696 1 735 . 1 . 1 159 159 SER CA C 13 57.679 0.055 . 1 . . . . . 155 SER CA . 51696 1 736 . 1 . 1 159 159 SER CB C 13 64.168 0 . 1 . . . . . 155 SER CB . 51696 1 737 . 1 . 1 159 159 SER N N 15 117.74 0.058 . 1 . . . . . 155 SER N . 51696 1 738 . 1 . 1 160 160 GLY H H 1 8.625 0.005 . 1 . . . . . 156 GLY HN . 51696 1 739 . 1 . 1 160 160 GLY C C 13 174.885 0.05 . 1 . . . . . 156 GLY CO . 51696 1 740 . 1 . 1 160 160 GLY CA C 13 45.732 0.076 . 1 . . . . . 156 GLY CA . 51696 1 741 . 1 . 1 160 160 GLY N N 15 112.561 0.042 . 1 . . . . . 156 GLY N . 51696 1 742 . 1 . 1 161 161 ASN H H 1 8.112 0.006 . 1 . . . . . 157 ASN HN . 51696 1 743 . 1 . 1 161 161 ASN C C 13 173.784 0.026 . 1 . . . . . 157 ASN CO . 51696 1 744 . 1 . 1 161 161 ASN CA C 13 52.098 0.014 . 1 . . . . . 157 ASN CA . 51696 1 745 . 1 . 1 161 161 ASN CB C 13 36.786 0.04 . 1 . . . . . 157 ASN CB . 51696 1 746 . 1 . 1 161 161 ASN N N 15 115.69 0.039 . 1 . . . . . 157 ASN N . 51696 1 747 . 1 . 1 162 162 SER H H 1 7.698 0.003 . 1 . . . . . 158 SER HN . 51696 1 748 . 1 . 1 162 162 SER C C 13 174.615 0.02 . 1 . . . . . 158 SER CO . 51696 1 749 . 1 . 1 162 162 SER CA C 13 56.131 0.042 . 1 . . . . . 158 SER CA . 51696 1 750 . 1 . 1 162 162 SER CB C 13 66.525 0.011 . 1 . . . . . 158 SER CB . 51696 1 751 . 1 . 1 162 162 SER N N 15 111.105 0.043 . 1 . . . . . 158 SER N . 51696 1 752 . 1 . 1 163 163 GLN H H 1 8.022 0.002 . 1 . . . . . 159 GLN HN . 51696 1 753 . 1 . 1 163 163 GLN C C 13 175.678 0.016 . 1 . . . . . 159 GLN CO . 51696 1 754 . 1 . 1 163 163 GLN CA C 13 54.989 0.055 . 1 . . . . . 159 GLN CA . 51696 1 755 . 1 . 1 163 163 GLN CB C 13 33.189 0.059 . 1 . . . . . 159 GLN CB . 51696 1 756 . 1 . 1 163 163 GLN N N 15 117.362 0.036 . 1 . . . . . 159 GLN N . 51696 1 757 . 1 . 1 164 164 GLU H H 1 8.907 0.003 . 1 . . . . . 160 GLU HN . 51696 1 758 . 1 . 1 164 164 GLU C C 13 175.522 0.056 . 1 . . . . . 160 GLU CO . 51696 1 759 . 1 . 1 164 164 GLU CA C 13 55.024 0.033 . 1 . . . . . 160 GLU CA . 51696 1 760 . 1 . 1 164 164 GLU CB C 13 32.689 0.047 . 1 . . . . . 160 GLU CB . 51696 1 761 . 1 . 1 164 164 GLU N N 15 124.5 0.041 . 1 . . . . . 160 GLU N . 51696 1 762 . 1 . 1 165 165 SER H H 1 8.602 0.002 . 1 . . . . . 161 SER HN . 51696 1 763 . 1 . 1 165 165 SER C C 13 172.897 0.019 . 1 . . . . . 161 SER CO . 51696 1 764 . 1 . 1 165 165 SER CA C 13 56.577 0.048 . 1 . . . . . 161 SER CA . 51696 1 765 . 1 . 1 165 165 SER CB C 13 64.667 0.007 . 1 . . . . . 161 SER CB . 51696 1 766 . 1 . 1 165 165 SER N N 15 114.861 0.051 . 1 . . . . . 161 SER N . 51696 1 767 . 1 . 1 166 166 VAL H H 1 8.368 0.002 . 1 . . . . . 162 VAL HN . 51696 1 768 . 1 . 1 166 166 VAL C C 13 176.346 0.074 . 1 . . . . . 162 VAL CO . 51696 1 769 . 1 . 1 166 166 VAL CA C 13 59.954 0.042 . 1 . . . . . 162 VAL CA . 51696 1 770 . 1 . 1 166 166 VAL CB C 13 34.895 0.008 . 1 . . . . . 162 VAL CB . 51696 1 771 . 1 . 1 166 166 VAL N N 15 125.495 0.039 . 1 . . . . . 162 VAL N . 51696 1 772 . 1 . 1 167 167 THR H H 1 8.604 0.002 . 1 . . . . . 163 THR HN . 51696 1 773 . 1 . 1 167 167 THR C C 13 176.463 0.003 . 1 . . . . . 163 THR CO . 51696 1 774 . 1 . 1 167 167 THR CA C 13 61.755 0.06 . 1 . . . . . 163 THR CA . 51696 1 775 . 1 . 1 167 167 THR CB C 13 70.231 0.039 . 1 . . . . . 163 THR CB . 51696 1 776 . 1 . 1 167 167 THR N N 15 115.804 0.049 . 1 . . . . . 163 THR N . 51696 1 777 . 1 . 1 168 168 GLU H H 1 8.13 0.003 . 1 . . . . . 164 GLU HN . 51696 1 778 . 1 . 1 168 168 GLU C C 13 176.751 0.025 . 1 . . . . . 164 GLU CO . 51696 1 779 . 1 . 1 168 168 GLU CA C 13 55.47 0.077 . 1 . . . . . 164 GLU CA . 51696 1 780 . 1 . 1 168 168 GLU CB C 13 29.166 0.032 . 1 . . . . . 164 GLU CB . 51696 1 781 . 1 . 1 168 168 GLU N N 15 116.409 0.06 . 1 . . . . . 164 GLU N . 51696 1 782 . 1 . 1 169 169 GLN H H 1 7.731 0.005 . 1 . . . . . 165 GLN HN . 51696 1 783 . 1 . 1 169 169 GLN C C 13 175.557 0.029 . 1 . . . . . 165 GLN CO . 51696 1 784 . 1 . 1 169 169 GLN CA C 13 56.95 0.036 . 1 . . . . . 165 GLN CA . 51696 1 785 . 1 . 1 169 169 GLN CB C 13 27.878 0.04 . 1 . . . . . 165 GLN CB . 51696 1 786 . 1 . 1 169 169 GLN N N 15 122.653 0.058 . 1 . . . . . 165 GLN N . 51696 1 787 . 1 . 1 170 170 ASP H H 1 8.646 0.004 . 1 . . . . . 166 ASP HN . 51696 1 788 . 1 . 1 170 170 ASP C C 13 179.286 0.015 . 1 . . . . . 166 ASP CO . 51696 1 789 . 1 . 1 170 170 ASP CA C 13 55.146 0.042 . 1 . . . . . 166 ASP CA . 51696 1 790 . 1 . 1 170 170 ASP CB C 13 43.493 0.029 . 1 . . . . . 166 ASP CB . 51696 1 791 . 1 . 1 170 170 ASP N N 15 124.887 0.059 . 1 . . . . . 166 ASP N . 51696 1 792 . 1 . 1 171 171 SER H H 1 8.609 0.004 . 1 . . . . . 167 SER HN . 51696 1 793 . 1 . 1 171 171 SER C C 13 173.108 0.014 . 1 . . . . . 167 SER CO . 51696 1 794 . 1 . 1 171 171 SER CA C 13 61.209 0.051 . 1 . . . . . 167 SER CA . 51696 1 795 . 1 . 1 171 171 SER CB C 13 63.239 0.035 . 1 . . . . . 167 SER CB . 51696 1 796 . 1 . 1 171 171 SER N N 15 122.667 0.043 . 1 . . . . . 167 SER N . 51696 1 797 . 1 . 1 172 172 LYS H H 1 8.608 0.006 . 1 . . . . . 168 LYS HN . 51696 1 798 . 1 . 1 172 172 LYS C C 13 178.406 0.023 . 1 . . . . . 168 LYS CO . 51696 1 799 . 1 . 1 172 172 LYS CA C 13 57.089 0.077 . 1 . . . . . 168 LYS CA . 51696 1 800 . 1 . 1 172 172 LYS CB C 13 32.551 0.058 . 1 . . . . . 168 LYS CB . 51696 1 801 . 1 . 1 172 172 LYS N N 15 120.186 0.076 . 1 . . . . . 168 LYS N . 51696 1 802 . 1 . 1 173 173 ASP H H 1 8.647 0.006 . 1 . . . . . 169 ASP HN . 51696 1 803 . 1 . 1 173 173 ASP C C 13 176.655 0.004 . 1 . . . . . 169 ASP CO . 51696 1 804 . 1 . 1 173 173 ASP CA C 13 52.733 0.038 . 1 . . . . . 169 ASP CA . 51696 1 805 . 1 . 1 173 173 ASP CB C 13 41.546 0.03 . 1 . . . . . 169 ASP CB . 51696 1 806 . 1 . 1 173 173 ASP N N 15 117.203 0.062 . 1 . . . . . 169 ASP N . 51696 1 807 . 1 . 1 174 174 SER H H 1 7.494 0.003 . 1 . . . . . 170 SER HN . 51696 1 808 . 1 . 1 174 174 SER C C 13 173.369 0.09 . 1 . . . . . 170 SER CO . 51696 1 809 . 1 . 1 174 174 SER CA C 13 58.645 0.045 . 1 . . . . . 170 SER CA . 51696 1 810 . 1 . 1 174 174 SER CB C 13 59.535 0.053 . 1 . . . . . 170 SER CB . 51696 1 811 . 1 . 1 174 174 SER N N 15 108.106 0.057 . 1 . . . . . 170 SER N . 51696 1 812 . 1 . 1 175 175 THR H H 1 7.61 0.004 . 1 . . . . . 171 THR HN . 51696 1 813 . 1 . 1 175 175 THR C C 13 173.483 0.018 . 1 . . . . . 171 THR CO . 51696 1 814 . 1 . 1 175 175 THR CA C 13 60.131 0.028 . 1 . . . . . 171 THR CA . 51696 1 815 . 1 . 1 175 175 THR CB C 13 71.396 0.06 . 1 . . . . . 171 THR CB . 51696 1 816 . 1 . 1 175 175 THR N N 15 107.566 0.048 . 1 . . . . . 171 THR N . 51696 1 817 . 1 . 1 176 176 TYR H H 1 8.79 0.003 . 1 . . . . . 172 TYR HN . 51696 1 818 . 1 . 1 176 176 TYR C C 13 174.85 0.029 . 1 . . . . . 172 TYR CO . 51696 1 819 . 1 . 1 176 176 TYR CA C 13 57.15 0.07 . 1 . . . . . 172 TYR CA . 51696 1 820 . 1 . 1 176 176 TYR CB C 13 40.87 0.019 . 1 . . . . . 172 TYR CB . 51696 1 821 . 1 . 1 176 176 TYR N N 15 116.602 0.05 . 1 . . . . . 172 TYR N . 51696 1 822 . 1 . 1 177 177 SER H H 1 7.608 0.002 . 1 . . . . . 173 SER HN . 51696 1 823 . 1 . 1 177 177 SER C C 13 171.652 0.05 . 1 . . . . . 173 SER CO . 51696 1 824 . 1 . 1 177 177 SER CA C 13 58.491 0.066 . 1 . . . . . 173 SER CA . 51696 1 825 . 1 . 1 177 177 SER CB C 13 65.906 0.027 . 1 . . . . . 173 SER CB . 51696 1 826 . 1 . 1 177 177 SER N N 15 111.741 0.048 . 1 . . . . . 173 SER N . 51696 1 827 . 1 . 1 178 178 LEU H H 1 9.849 0.002 . 1 . . . . . 174 LEU HN . 51696 1 828 . 1 . 1 178 178 LEU C C 13 174.133 0.026 . 1 . . . . . 174 LEU CO . 51696 1 829 . 1 . 1 178 178 LEU CA C 13 55.118 0.075 . 1 . . . . . 174 LEU CA . 51696 1 830 . 1 . 1 178 178 LEU CB C 13 46.786 0.021 . 1 . . . . . 174 LEU CB . 51696 1 831 . 1 . 1 178 178 LEU N N 15 126.003 0.052 . 1 . . . . . 174 LEU N . 51696 1 832 . 1 . 1 179 179 SER H H 1 9.173 0.004 . 1 . . . . . 175 SER HN . 51696 1 833 . 1 . 1 179 179 SER C C 13 173.807 0.035 . 1 . . . . . 175 SER CO . 51696 1 834 . 1 . 1 179 179 SER CA C 13 55.078 0.07 . 1 . . . . . 175 SER CA . 51696 1 835 . 1 . 1 179 179 SER CB C 13 64.598 0.046 . 1 . . . . . 175 SER CB . 51696 1 836 . 1 . 1 179 179 SER N N 15 120.406 0.073 . 1 . . . . . 175 SER N . 51696 1 837 . 1 . 1 180 180 SER H H 1 9.194 0.004 . 1 . . . . . 176 SER HN . 51696 1 838 . 1 . 1 180 180 SER C C 13 174.89 0.021 . 1 . . . . . 176 SER CO . 51696 1 839 . 1 . 1 180 180 SER CA C 13 56.274 0.118 . 1 . . . . . 176 SER CA . 51696 1 840 . 1 . 1 180 180 SER CB C 13 63.471 0.016 . 1 . . . . . 176 SER CB . 51696 1 841 . 1 . 1 180 180 SER N N 15 120.116 0.058 . 1 . . . . . 176 SER N . 51696 1 842 . 1 . 1 181 181 THR H H 1 8.876 0.002 . 1 . . . . . 177 THR HN . 51696 1 843 . 1 . 1 181 181 THR C C 13 173.97 0.011 . 1 . . . . . 177 THR CO . 51696 1 844 . 1 . 1 181 181 THR CA C 13 61.262 0.055 . 1 . . . . . 177 THR CA . 51696 1 845 . 1 . 1 181 181 THR CB C 13 69.881 0.018 . 1 . . . . . 177 THR CB . 51696 1 846 . 1 . 1 181 181 THR N N 15 124.861 0.042 . 1 . . . . . 177 THR N . 51696 1 847 . 1 . 1 182 182 LEU H H 1 9.217 0.002 . 1 . . . . . 178 LEU HN . 51696 1 848 . 1 . 1 182 182 LEU C C 13 175.531 0.052 . 1 . . . . . 178 LEU CO . 51696 1 849 . 1 . 1 182 182 LEU CA C 13 53.244 0.066 . 1 . . . . . 178 LEU CA . 51696 1 850 . 1 . 1 182 182 LEU CB C 13 41.165 0.03 . 1 . . . . . 178 LEU CB . 51696 1 851 . 1 . 1 182 182 LEU N N 15 135.021 0.026 . 1 . . . . . 178 LEU N . 51696 1 852 . 1 . 1 183 183 THR H H 1 8.075 0.004 . 1 . . . . . 179 THR HN . 51696 1 853 . 1 . 1 183 183 THR C C 13 173.705 0.002 . 1 . . . . . 179 THR CO . 51696 1 854 . 1 . 1 183 183 THR CA C 13 61.778 0.045 . 1 . . . . . 179 THR CA . 51696 1 855 . 1 . 1 183 183 THR CB C 13 69.348 0.032 . 1 . . . . . 179 THR CB . 51696 1 856 . 1 . 1 183 183 THR N N 15 122.991 0.041 . 1 . . . . . 179 THR N . 51696 1 857 . 1 . 1 184 184 LEU H H 1 8.794 0.002 . 1 . . . . . 180 LEU HN . 51696 1 858 . 1 . 1 184 184 LEU C C 13 176.463 0.007 . 1 . . . . . 180 LEU CO . 51696 1 859 . 1 . 1 184 184 LEU CA C 13 52.698 0.034 . 1 . . . . . 180 LEU CA . 51696 1 860 . 1 . 1 184 184 LEU CB C 13 46.093 0.01 . 1 . . . . . 180 LEU CB . 51696 1 861 . 1 . 1 184 184 LEU N N 15 127.585 0.044 . 1 . . . . . 180 LEU N . 51696 1 862 . 1 . 1 185 185 SER H H 1 9.004 0.003 . 1 . . . . . 181 SER HN . 51696 1 863 . 1 . 1 185 185 SER C C 13 175.217 0.005 . 1 . . . . . 181 SER CO . 51696 1 864 . 1 . 1 185 185 SER CA C 13 57.697 0.027 . 1 . . . . . 181 SER CA . 51696 1 865 . 1 . 1 185 185 SER CB C 13 63.764 0.015 . 1 . . . . . 181 SER CB . 51696 1 866 . 1 . 1 185 185 SER N N 15 116.495 0.046 . 1 . . . . . 181 SER N . 51696 1 867 . 1 . 1 186 186 LYS H H 1 7.91 0.003 . 1 . . . . . 182 LYS HN . 51696 1 868 . 1 . 1 186 186 LYS C C 13 177.49 0.059 . 1 . . . . . 182 LYS CO . 51696 1 869 . 1 . 1 186 186 LYS CA C 13 60.041 0.059 . 1 . . . . . 182 LYS CA . 51696 1 870 . 1 . 1 186 186 LYS CB C 13 31.655 0.003 . 1 . . . . . 182 LYS CB . 51696 1 871 . 1 . 1 186 186 LYS N N 15 123.447 0.049 . 1 . . . . . 182 LYS N . 51696 1 872 . 1 . 1 187 187 ALA H H 1 8.257 0.003 . 1 . . . . . 183 ALA HN . 51696 1 873 . 1 . 1 187 187 ALA C C 13 180.83 0.004 . 1 . . . . . 183 ALA CO . 51696 1 874 . 1 . 1 187 187 ALA CA C 13 54.393 0.04 . 1 . . . . . 183 ALA CA . 51696 1 875 . 1 . 1 187 187 ALA CB C 13 17.461 0.008 . 1 . . . . . 183 ALA CB . 51696 1 876 . 1 . 1 187 187 ALA N N 15 118.412 0.045 . 1 . . . . . 183 ALA N . 51696 1 877 . 1 . 1 188 188 ASP H H 1 7.681 0.002 . 1 . . . . . 184 ASP HN . 51696 1 878 . 1 . 1 188 188 ASP C C 13 179.047 0.014 . 1 . . . . . 184 ASP CO . 51696 1 879 . 1 . 1 188 188 ASP CA C 13 56.837 0.04 . 1 . . . . . 184 ASP CA . 51696 1 880 . 1 . 1 188 188 ASP CB C 13 40.064 0.03 . 1 . . . . . 184 ASP CB . 51696 1 881 . 1 . 1 188 188 ASP N N 15 117.768 0.048 . 1 . . . . . 184 ASP N . 51696 1 882 . 1 . 1 189 189 TYR H H 1 8.658 0.005 . 1 . . . . . 185 TYR HN . 51696 1 883 . 1 . 1 189 189 TYR C C 13 180.06 0.01 . 1 . . . . . 185 TYR CO . 51696 1 884 . 1 . 1 189 189 TYR CA C 13 58.55 0.019 . 1 . . . . . 185 TYR CA . 51696 1 885 . 1 . 1 189 189 TYR CB C 13 38.282 0.04 . 1 . . . . . 185 TYR CB . 51696 1 886 . 1 . 1 189 189 TYR N N 15 122.039 0.079 . 1 . . . . . 185 TYR N . 51696 1 887 . 1 . 1 190 190 GLU H H 1 7.989 0.003 . 1 . . . . . 186 GLU HN . 51696 1 888 . 1 . 1 190 190 GLU C C 13 176.445 0.005 . 1 . . . . . 186 GLU CO . 51696 1 889 . 1 . 1 190 190 GLU CA C 13 57.203 0.032 . 1 . . . . . 186 GLU CA . 51696 1 890 . 1 . 1 190 190 GLU CB C 13 28.392 0.027 . 1 . . . . . 186 GLU CB . 51696 1 891 . 1 . 1 190 190 GLU N N 15 114.584 0.06 . 1 . . . . . 186 GLU N . 51696 1 892 . 1 . 1 191 191 LYS H H 1 7.197 0.002 . 1 . . . . . 187 LYS HN . 51696 1 893 . 1 . 1 191 191 LYS C C 13 176.3 0.013 . 1 . . . . . 187 LYS CO . 51696 1 894 . 1 . 1 191 191 LYS CA C 13 56.385 0.027 . 1 . . . . . 187 LYS CA . 51696 1 895 . 1 . 1 191 191 LYS CB C 13 32.3 0.042 . 1 . . . . . 187 LYS CB . 51696 1 896 . 1 . 1 191 191 LYS N N 15 117.403 0.043 . 1 . . . . . 187 LYS N . 51696 1 897 . 1 . 1 192 192 HIS H H 1 6.961 0.002 . 1 . . . . . 188 HIS HN . 51696 1 898 . 1 . 1 192 192 HIS C C 13 173.566 0.036 . 1 . . . . . 188 HIS CO . 51696 1 899 . 1 . 1 192 192 HIS CA C 13 53.463 0.032 . 1 . . . . . 188 HIS CA . 51696 1 900 . 1 . 1 192 192 HIS CB C 13 30.574 0.025 . 1 . . . . . 188 HIS CB . 51696 1 901 . 1 . 1 192 192 HIS N N 15 115.249 0.037 . 1 . . . . . 188 HIS N . 51696 1 902 . 1 . 1 193 193 LYS H H 1 9.351 0.004 . 1 . . . . . 189 LYS HN . 51696 1 903 . 1 . 1 193 193 LYS C C 13 175.37 0.002 . 1 . . . . . 189 LYS CO . 51696 1 904 . 1 . 1 193 193 LYS CA C 13 58.174 0.053 . 1 . . . . . 189 LYS CA . 51696 1 905 . 1 . 1 193 193 LYS CB C 13 34.496 0.043 . 1 . . . . . 189 LYS CB . 51696 1 906 . 1 . 1 193 193 LYS N N 15 122.711 0.043 . 1 . . . . . 189 LYS N . 51696 1 907 . 1 . 1 194 194 VAL H H 1 8.478 0.004 . 1 . . . . . 190 VAL HN . 51696 1 908 . 1 . 1 194 194 VAL C C 13 175.01 0.004 . 1 . . . . . 190 VAL CO . 51696 1 909 . 1 . 1 194 194 VAL CA C 13 61.678 0.039 . 1 . . . . . 190 VAL CA . 51696 1 910 . 1 . 1 194 194 VAL CB C 13 32.382 0.02 . 1 . . . . . 190 VAL CB . 51696 1 911 . 1 . 1 194 194 VAL N N 15 120.001 0.046 . 1 . . . . . 190 VAL N . 51696 1 912 . 1 . 1 195 195 TYR H H 1 8.139 0.003 . 1 . . . . . 191 TYR HN . 51696 1 913 . 1 . 1 195 195 TYR C C 13 174.113 0.034 . 1 . . . . . 191 TYR CO . 51696 1 914 . 1 . 1 195 195 TYR CA C 13 57.611 0.031 . 1 . . . . . 191 TYR CA . 51696 1 915 . 1 . 1 195 195 TYR CB C 13 41.311 0.049 . 1 . . . . . 191 TYR CB . 51696 1 916 . 1 . 1 195 195 TYR N N 15 127.644 0.071 . 1 . . . . . 191 TYR N . 51696 1 917 . 1 . 1 196 196 ALA H H 1 8.7 0.003 . 1 . . . . . 192 ALA HN . 51696 1 918 . 1 . 1 196 196 ALA C C 13 174.562 0.028 . 1 . . . . . 192 ALA CO . 51696 1 919 . 1 . 1 196 196 ALA CA C 13 50.056 0.024 . 1 . . . . . 192 ALA CA . 51696 1 920 . 1 . 1 196 196 ALA CB C 13 22.472 0.031 . 1 . . . . . 192 ALA CB . 51696 1 921 . 1 . 1 196 196 ALA N N 15 122.751 0.04 . 1 . . . . . 192 ALA N . 51696 1 922 . 1 . 1 197 197 CYS H H 1 8.614 0.003 . 1 . . . . . 193 CYS HN . 51696 1 923 . 1 . 1 197 197 CYS C C 13 171.754 0.033 . 1 . . . . . 193 CYS CO . 51696 1 924 . 1 . 1 197 197 CYS CA C 13 52.256 0.071 . 1 . . . . . 193 CYS CA . 51696 1 925 . 1 . 1 197 197 CYS CB C 13 43.956 0.014 . 1 . . . . . 193 CYS CB . 51696 1 926 . 1 . 1 197 197 CYS N N 15 119.728 0.07 . 1 . . . . . 193 CYS N . 51696 1 927 . 1 . 1 198 198 GLU H H 1 8.837 0.001 . 1 . . . . . 194 GLU HN . 51696 1 928 . 1 . 1 198 198 GLU C C 13 176.221 0.007 . 1 . . . . . 194 GLU CO . 51696 1 929 . 1 . 1 198 198 GLU CA C 13 54.077 0.045 . 1 . . . . . 194 GLU CA . 51696 1 930 . 1 . 1 198 198 GLU CB C 13 31.932 0.032 . 1 . . . . . 194 GLU CB . 51696 1 931 . 1 . 1 198 198 GLU N N 15 126.301 0.057 . 1 . . . . . 194 GLU N . 51696 1 932 . 1 . 1 199 199 VAL H H 1 9.341 0.003 . 1 . . . . . 195 VAL HN . 51696 1 933 . 1 . 1 199 199 VAL C C 13 174.695 0.021 . 1 . . . . . 195 VAL CO . 51696 1 934 . 1 . 1 199 199 VAL CA C 13 61.17 0.077 . 1 . . . . . 195 VAL CA . 51696 1 935 . 1 . 1 199 199 VAL CB C 13 33.861 0.034 . 1 . . . . . 195 VAL CB . 51696 1 936 . 1 . 1 199 199 VAL N N 15 129.658 0.036 . 1 . . . . . 195 VAL N . 51696 1 937 . 1 . 1 200 200 THR H H 1 8.59 0.004 . 1 . . . . . 196 THR HN . 51696 1 938 . 1 . 1 200 200 THR C C 13 173.829 0.018 . 1 . . . . . 196 THR CO . 51696 1 939 . 1 . 1 200 200 THR CA C 13 60.86 0.089 . 1 . . . . . 196 THR CA . 51696 1 940 . 1 . 1 200 200 THR CB C 13 69.977 0.036 . 1 . . . . . 196 THR CB . 51696 1 941 . 1 . 1 200 200 THR N N 15 120.497 0.059 . 1 . . . . . 196 THR N . 51696 1 942 . 1 . 1 201 201 HIS H H 1 8.022 0.002 . 1 . . . . . 197 HIS HN . 51696 1 943 . 1 . 1 201 201 HIS C C 13 175.381 0.022 . 1 . . . . . 197 HIS CO . 51696 1 944 . 1 . 1 201 201 HIS CA C 13 57.762 0.098 . 1 . . . . . 197 HIS CA . 51696 1 945 . 1 . 1 201 201 HIS CB C 13 34.368 0.025 . 1 . . . . . 197 HIS CB . 51696 1 946 . 1 . 1 201 201 HIS N N 15 123.386 0.075 . 1 . . . . . 197 HIS N . 51696 1 947 . 1 . 1 202 202 GLN H H 1 8.121 0.003 . 1 . . . . . 198 GLN HN . 51696 1 948 . 1 . 1 202 202 GLN C C 13 176.94 0.003 . 1 . . . . . 198 GLN CO . 51696 1 949 . 1 . 1 202 202 GLN CA C 13 58.227 0.025 . 1 . . . . . 198 GLN CA . 51696 1 950 . 1 . 1 202 202 GLN CB C 13 28.6 0.033 . 1 . . . . . 198 GLN CB . 51696 1 951 . 1 . 1 202 202 GLN N N 15 126.276 0.037 . 1 . . . . . 198 GLN N . 51696 1 952 . 1 . 1 203 203 GLY H H 1 10.397 0.004 . 1 . . . . . 199 GLY HN . 51696 1 953 . 1 . 1 203 203 GLY C C 13 173.419 0.016 . 1 . . . . . 199 GLY CO . 51696 1 954 . 1 . 1 203 203 GLY CA C 13 45.002 0.038 . 1 . . . . . 199 GLY CA . 51696 1 955 . 1 . 1 203 203 GLY N N 15 110.143 0.058 . 1 . . . . . 199 GLY N . 51696 1 956 . 1 . 1 204 204 LEU H H 1 8.034 0.003 . 1 . . . . . 200 LEU HN . 51696 1 957 . 1 . 1 204 204 LEU C C 13 177.208 0.017 . 1 . . . . . 200 LEU CO . 51696 1 958 . 1 . 1 204 204 LEU CA C 13 52.656 0.023 . 1 . . . . . 200 LEU CA . 51696 1 959 . 1 . 1 204 204 LEU CB C 13 41.992 0 . 1 . . . . . 200 LEU CB . 51696 1 960 . 1 . 1 204 204 LEU N N 15 122.026 0.066 . 1 . . . . . 200 LEU N . 51696 1 961 . 1 . 1 205 205 SER H H 1 8.822 0.002 . 1 . . . . . 201 SER HN . 51696 1 962 . 1 . 1 205 205 SER CA C 13 60.222 0.107 . 1 . . . . . 201 SER CA . 51696 1 963 . 1 . 1 205 205 SER CB C 13 62.447 0.031 . 1 . . . . . 201 SER CB . 51696 1 964 . 1 . 1 205 205 SER N N 15 119.319 0.068 . 1 . . . . . 201 SER N . 51696 1 965 . 1 . 1 207 207 PRO C C 13 177.964 0.011 . 1 . . . . . 203 PRO CO . 51696 1 966 . 1 . 1 207 207 PRO CA C 13 63.292 0.028 . 1 . . . . . 203 PRO CA . 51696 1 967 . 1 . 1 207 207 PRO CB C 13 31.008 0.004 . 1 . . . . . 203 PRO CB . 51696 1 968 . 1 . 1 208 208 VAL H H 1 8.468 0.003 . 1 . . . . . 204 VAL HN . 51696 1 969 . 1 . 1 208 208 VAL C C 13 174.858 0.031 . 1 . . . . . 204 VAL CO . 51696 1 970 . 1 . 1 208 208 VAL CA C 13 60.451 0.046 . 1 . . . . . 204 VAL CA . 51696 1 971 . 1 . 1 208 208 VAL CB C 13 33.96 0.027 . 1 . . . . . 204 VAL CB . 51696 1 972 . 1 . 1 208 208 VAL N N 15 123.878 0.053 . 1 . . . . . 204 VAL N . 51696 1 973 . 1 . 1 209 209 THR H H 1 8.402 0.004 . 1 . . . . . 205 THR HN . 51696 1 974 . 1 . 1 209 209 THR C C 13 175.137 0.02 . 1 . . . . . 205 THR CO . 51696 1 975 . 1 . 1 209 209 THR CA C 13 60.889 0.03 . 1 . . . . . 205 THR CA . 51696 1 976 . 1 . 1 209 209 THR CB C 13 69.59 0.014 . 1 . . . . . 205 THR CB . 51696 1 977 . 1 . 1 209 209 THR N N 15 122.473 0.059 . 1 . . . . . 205 THR N . 51696 1 978 . 1 . 1 210 210 LYS H H 1 8.593 0.003 . 1 . . . . . 206 LYS HN . 51696 1 979 . 1 . 1 210 210 LYS C C 13 174.76 0.021 . 1 . . . . . 206 LYS CO . 51696 1 980 . 1 . 1 210 210 LYS CA C 13 52.781 0.071 . 1 . . . . . 206 LYS CA . 51696 1 981 . 1 . 1 210 210 LYS CB C 13 32.818 0.053 . 1 . . . . . 206 LYS CB . 51696 1 982 . 1 . 1 210 210 LYS N N 15 127.388 0.072 . 1 . . . . . 206 LYS N . 51696 1 983 . 1 . 1 211 211 SER H H 1 8.526 0.004 . 1 . . . . . 207 SER HN . 51696 1 984 . 1 . 1 211 211 SER C C 13 173.672 0.029 . 1 . . . . . 207 SER CO . 51696 1 985 . 1 . 1 211 211 SER CA C 13 56.428 0.113 . 1 . . . . . 207 SER CA . 51696 1 986 . 1 . 1 211 211 SER CB C 13 67.516 0.023 . 1 . . . . . 207 SER CB . 51696 1 987 . 1 . 1 211 211 SER N N 15 116.799 0.042 . 1 . . . . . 207 SER N . 51696 1 988 . 1 . 1 212 212 PHE H H 1 8.699 0.002 . 1 . . . . . 208 PHE HN . 51696 1 989 . 1 . 1 212 212 PHE C C 13 171.998 0.009 . 1 . . . . . 208 PHE CO . 51696 1 990 . 1 . 1 212 212 PHE CA C 13 56.593 0.032 . 1 . . . . . 208 PHE CA . 51696 1 991 . 1 . 1 212 212 PHE CB C 13 41.229 0.009 . 1 . . . . . 208 PHE CB . 51696 1 992 . 1 . 1 212 212 PHE N N 15 116.309 0.069 . 1 . . . . . 208 PHE N . 51696 1 993 . 1 . 1 213 213 ASN H H 1 8.712 0.003 . 1 . . . . . 209 ASN HN . 51696 1 994 . 1 . 1 213 213 ASN C C 13 176.551 0.004 . 1 . . . . . 209 ASN CO . 51696 1 995 . 1 . 1 213 213 ASN CA C 13 50.252 0.037 . 1 . . . . . 209 ASN CA . 51696 1 996 . 1 . 1 213 213 ASN CB C 13 38.931 0.027 . 1 . . . . . 209 ASN CB . 51696 1 997 . 1 . 1 213 213 ASN N N 15 118.818 0.064 . 1 . . . . . 209 ASN N . 51696 1 998 . 1 . 1 214 214 ARG H H 1 9.658 0.004 . 1 . . . . . 210 ARG HN . 51696 1 999 . 1 . 1 214 214 ARG C C 13 177.598 0.014 . 1 . . . . . 210 ARG CO . 51696 1 1000 . 1 . 1 214 214 ARG CA C 13 58.405 0.037 . 1 . . . . . 210 ARG CA . 51696 1 1001 . 1 . 1 214 214 ARG CB C 13 29.346 0.083 . 1 . . . . . 210 ARG CB . 51696 1 1002 . 1 . 1 214 214 ARG N N 15 127.326 0.039 . 1 . . . . . 210 ARG N . 51696 1 1003 . 1 . 1 215 215 GLY H H 1 9.011 0.006 . 1 . . . . . 211 GLY HN . 51696 1 1004 . 1 . 1 215 215 GLY C C 13 174.85 0.015 . 1 . . . . . 211 GLY CO . 51696 1 1005 . 1 . 1 215 215 GLY CA C 13 44.96 0.046 . 1 . . . . . 211 GLY CA . 51696 1 1006 . 1 . 1 215 215 GLY N N 15 114.243 0.055 . 1 . . . . . 211 GLY N . 51696 1 1007 . 1 . 1 216 216 GLU H H 1 7.9 0.002 . 1 . . . . . 212 GLU HN . 51696 1 1008 . 1 . 1 216 216 GLU C C 13 175.994 0.02 . 1 . . . . . 212 GLU CO . 51696 1 1009 . 1 . 1 216 216 GLU CA C 13 55.847 0.038 . 1 . . . . . 212 GLU CA . 51696 1 1010 . 1 . 1 216 216 GLU CB C 13 30.421 0.032 . 1 . . . . . 212 GLU CB . 51696 1 1011 . 1 . 1 216 216 GLU N N 15 120.711 0.052 . 1 . . . . . 212 GLU N . 51696 1 1012 . 1 . 1 217 217 CYS H H 1 8.167 0.003 . 1 . . . . . 213 CYS HN . 51696 1 1013 . 1 . 1 217 217 CYS C C 13 179.416 0 . 1 . . . . . 213 CYS CO . 51696 1 1014 . 1 . 1 217 217 CYS CA C 13 57.684 0.014 . 1 . . . . . 213 CYS CA . 51696 1 1015 . 1 . 1 217 217 CYS CB C 13 42.629 0 . 1 . . . . . 213 CYS CB . 51696 1 1016 . 1 . 1 217 217 CYS N N 15 125.048 0.095 . 1 . . . . . 213 CYS N . 51696 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 51696 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'NIST-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 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' . . . 51696 2 2 '3D HNCACB' . . . 51696 2 3 '3D HNCA' . . . 51696 2 4 '3D HNCO' . . . 51696 2 5 '3D HN(CA)CO' . . . 51696 2 6 '3D (H)N(CA)NNH' . . . 51696 2 7 '3D HN(CO)CACB' . . . 51696 2 8 '3D HN(CO)CA' . . . 51696 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 2 $software_2 . . 51696 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 1 1 GLU CA C 13 56.27 0.052 . 1 . . . . . -3 GLU CA . 51696 2 2 . 2 . 2 2 2 ALA H H 1 8.268 0.003 . 1 . . . . . -2 ALA H . 51696 2 3 . 2 . 2 2 2 ALA C C 13 177.852 0 . 1 . . . . . -2 ALA CO . 51696 2 4 . 2 . 2 2 2 ALA CA C 13 51.534 1.072 . 1 . . . . . -2 ALA CA . 51696 2 5 . 2 . 2 2 2 ALA CB C 13 18.732 0.085 . 1 . . . . . -2 ALA CB . 51696 2 6 . 2 . 2 2 2 ALA N N 15 125.589 0.053 . 1 . . . . . -2 ALA N . 51696 2 7 . 2 . 2 3 3 GLU H H 1 8.398 0.006 . 1 . . . . . -1 GLU H . 51696 2 8 . 2 . 2 3 3 GLU C C 13 176.755 0.003 . 1 . . . . . -1 GLU CO . 51696 2 9 . 2 . 2 3 3 GLU CA C 13 56.156 0.004 . 1 . . . . . -1 GLU CA . 51696 2 10 . 2 . 2 3 3 GLU N N 15 121.155 0.048 . 1 . . . . . -1 GLU N . 51696 2 11 . 2 . 2 4 4 ALA H H 1 8.271 0.008 . 1 . . . . . 0 ALA H . 51696 2 12 . 2 . 2 4 4 ALA C C 13 177.856 0.001 . 1 . . . . . 0 ALA CO . 51696 2 13 . 2 . 2 4 4 ALA CA C 13 51.892 0.025 . 1 . . . . . 0 ALA CA . 51696 2 14 . 2 . 2 4 4 ALA CB C 13 18.632 0.02 . 1 . . . . . 0 ALA CB . 51696 2 15 . 2 . 2 4 4 ALA N N 15 125.526 0.109 . 1 . . . . . 0 ALA N . 51696 2 16 . 2 . 2 5 5 GLN H H 1 8.241 0.003 . 1 . . . . . 1 GLN H . 51696 2 17 . 2 . 2 5 5 GLN C C 13 176.278 0.011 . 1 . . . . . 1 GLN CO . 51696 2 18 . 2 . 2 5 5 GLN CA C 13 55.553 0.043 . 1 . . . . . 1 GLN CA . 51696 2 19 . 2 . 2 5 5 GLN CB C 13 28.794 0.008 . 1 . . . . . 1 GLN CB . 51696 2 20 . 2 . 2 5 5 GLN N N 15 120.252 0.06 . 1 . . . . . 1 GLN N . 51696 2 21 . 2 . 2 6 6 VAL H H 1 8.127 0.003 . 1 . . . . . 2 VAL H . 51696 2 22 . 2 . 2 6 6 VAL C C 13 176.028 0.023 . 1 . . . . . 2 VAL CO . 51696 2 23 . 2 . 2 6 6 VAL CA C 13 61.586 0.038 . 1 . . . . . 2 VAL CA . 51696 2 24 . 2 . 2 6 6 VAL CB C 13 31.773 0.01 . 1 . . . . . 2 VAL CB . 51696 2 25 . 2 . 2 6 6 VAL N N 15 124.114 0.049 . 1 . . . . . 2 VAL N . 51696 2 26 . 2 . 2 7 7 THR H H 1 8.272 0.003 . 1 . . . . . 3 THR H . 51696 2 27 . 2 . 2 7 7 THR C C 13 173.064 0.002 . 1 . . . . . 3 THR CO . 51696 2 28 . 2 . 2 7 7 THR CA C 13 60.399 0.025 . 1 . . . . . 3 THR CA . 51696 2 29 . 2 . 2 7 7 THR CB C 13 71.922 0.028 . 1 . . . . . 3 THR CB . 51696 2 30 . 2 . 2 7 7 THR N N 15 119.097 0.056 . 1 . . . . . 3 THR N . 51696 2 31 . 2 . 2 8 8 LEU H H 1 8.557 0.003 . 1 . . . . . 4 LEU H . 51696 2 32 . 2 . 2 8 8 LEU C C 13 175.639 0.011 . 1 . . . . . 4 LEU CO . 51696 2 33 . 2 . 2 8 8 LEU CA C 13 55.633 0.027 . 1 . . . . . 4 LEU CA . 51696 2 34 . 2 . 2 8 8 LEU CB C 13 43.642 0.069 . 1 . . . . . 4 LEU CB . 51696 2 35 . 2 . 2 8 8 LEU N N 15 122.912 0.051 . 1 . . . . . 4 LEU N . 51696 2 36 . 2 . 2 9 9 ARG H H 1 8.614 0.002 . 1 . . . . . 5 ARG H . 51696 2 37 . 2 . 2 9 9 ARG C C 13 175.731 0.006 . 1 . . . . . 5 ARG CO . 51696 2 38 . 2 . 2 9 9 ARG CA C 13 55.507 0.06 . 1 . . . . . 5 ARG CA . 51696 2 39 . 2 . 2 9 9 ARG CB C 13 32.66 0.089 . 1 . . . . . 5 ARG CB . 51696 2 40 . 2 . 2 9 9 ARG N N 15 119.627 0.047 . 1 . . . . . 5 ARG N . 51696 2 41 . 2 . 2 10 10 GLU H H 1 10.191 0.004 . 1 . . . . . 6 GLU H . 51696 2 42 . 2 . 2 10 10 GLU C C 13 177.696 0.006 . 1 . . . . . 6 GLU CO . 51696 2 43 . 2 . 2 10 10 GLU CA C 13 56.58 0.057 . 1 . . . . . 6 GLU CA . 51696 2 44 . 2 . 2 10 10 GLU CB C 13 29.961 0.005 . 1 . . . . . 6 GLU CB . 51696 2 45 . 2 . 2 10 10 GLU N N 15 130.331 0.053 . 1 . . . . . 6 GLU N . 51696 2 46 . 2 . 2 11 11 SER H H 1 9.452 0.003 . 1 . . . . . 7 SER H . 51696 2 47 . 2 . 2 11 11 SER C C 13 172.978 0.011 . 1 . . . . . 7 SER CO . 51696 2 48 . 2 . 2 11 11 SER CA C 13 57.057 0.084 . 1 . . . . . 7 SER CA . 51696 2 49 . 2 . 2 11 11 SER CB C 13 65.149 0.032 . 1 . . . . . 7 SER CB . 51696 2 50 . 2 . 2 11 11 SER N N 15 116.072 0.051 . 1 . . . . . 7 SER N . 51696 2 51 . 2 . 2 12 12 GLY H H 1 7.835 0.003 . 1 . . . . . 8 GLY H . 51696 2 52 . 2 . 2 12 12 GLY C C 13 170.285 0 . 1 . . . . . 8 GLY CO . 51696 2 53 . 2 . 2 12 12 GLY CA C 13 44.36 0.023 . 1 . . . . . 8 GLY CA . 51696 2 54 . 2 . 2 12 12 GLY N N 15 109.334 0.048 . 1 . . . . . 8 GLY N . 51696 2 55 . 2 . 2 13 13 PRO C C 13 176.035 0.005 . 1 . . . . . 9 PRO CO . 51696 2 56 . 2 . 2 13 13 PRO CA C 13 62.549 0.101 . 1 . . . . . 9 PRO CA . 51696 2 57 . 2 . 2 13 13 PRO CB C 13 31.294 0.059 . 1 . . . . . 9 PRO CB . 51696 2 58 . 2 . 2 14 14 ALA H H 1 8.142 0.003 . 1 . . . . . 10 ALA H . 51696 2 59 . 2 . 2 14 14 ALA C C 13 178.034 0.014 . 1 . . . . . 10 ALA CO . 51696 2 60 . 2 . 2 14 14 ALA CA C 13 52.349 0.026 . 1 . . . . . 10 ALA CA . 51696 2 61 . 2 . 2 14 14 ALA CB C 13 19.06 0.052 . 1 . . . . . 10 ALA CB . 51696 2 62 . 2 . 2 14 14 ALA N N 15 120.778 0.046 . 1 . . . . . 10 ALA N . 51696 2 63 . 2 . 2 15 15 LEU H H 1 7.493 0.003 . 1 . . . . . 11 LEU H . 51696 2 64 . 2 . 2 15 15 LEU C C 13 175.767 0.027 . 1 . . . . . 11 LEU CO . 51696 2 65 . 2 . 2 15 15 LEU CA C 13 52.94 0.045 . 1 . . . . . 11 LEU CA . 51696 2 66 . 2 . 2 15 15 LEU CB C 13 45.308 0.034 . 1 . . . . . 11 LEU CB . 51696 2 67 . 2 . 2 15 15 LEU N N 15 119.317 0.062 . 1 . . . . . 11 LEU N . 51696 2 68 . 2 . 2 16 16 VAL H H 1 8.489 0.003 . 1 . . . . . 12 VAL H . 51696 2 69 . 2 . 2 16 16 VAL C C 13 173.685 0.041 . 1 . . . . . 12 VAL CO . 51696 2 70 . 2 . 2 16 16 VAL CA C 13 59.333 0.043 . 1 . . . . . 12 VAL CA . 51696 2 71 . 2 . 2 16 16 VAL CB C 13 34.791 0.058 . 1 . . . . . 12 VAL CB . 51696 2 72 . 2 . 2 16 16 VAL N N 15 122.606 0.054 . 1 . . . . . 12 VAL N . 51696 2 73 . 2 . 2 17 17 LYS H H 1 8.096 0.004 . 1 . . . . . 13 LYS H . 51696 2 74 . 2 . 2 17 17 LYS C C 13 175.007 0 . 1 . . . . . 13 LYS CO . 51696 2 75 . 2 . 2 17 17 LYS CA C 13 53.802 0.009 . 1 . . . . . 13 LYS CA . 51696 2 76 . 2 . 2 17 17 LYS CB C 13 30.868 0 . 1 . . . . . 13 LYS CB . 51696 2 77 . 2 . 2 17 17 LYS N N 15 123.573 0.05 . 1 . . . . . 13 LYS N . 51696 2 78 . 2 . 2 18 18 PRO C C 13 178.928 0.006 . 1 . . . . . 14 PRO CO . 51696 2 79 . 2 . 2 18 18 PRO CA C 13 62.519 0.102 . 1 . . . . . 14 PRO CA . 51696 2 80 . 2 . 2 18 18 PRO CB C 13 30.947 0.101 . 1 . . . . . 14 PRO CB . 51696 2 81 . 2 . 2 19 19 THR H H 1 9.986 0.003 . 1 . . . . . 15 THR H . 51696 2 82 . 2 . 2 19 19 THR C C 13 174.906 0.014 . 1 . . . . . 15 THR CO . 51696 2 83 . 2 . 2 19 19 THR CA C 13 65.643 0.098 . 1 . . . . . 15 THR CA . 51696 2 84 . 2 . 2 19 19 THR CB C 13 69.081 0.043 . 1 . . . . . 15 THR CB . 51696 2 85 . 2 . 2 19 19 THR N N 15 117.297 0.036 . 1 . . . . . 15 THR N . 51696 2 86 . 2 . 2 20 20 GLN H H 1 7.713 0.002 . 1 . . . . . 16 GLN H . 51696 2 87 . 2 . 2 20 20 GLN C C 13 174.51 0.005 . 1 . . . . . 16 GLN CO . 51696 2 88 . 2 . 2 20 20 GLN CA C 13 55.6 0.022 . 1 . . . . . 16 GLN CA . 51696 2 89 . 2 . 2 20 20 GLN CB C 13 27.933 0.043 . 1 . . . . . 16 GLN CB . 51696 2 90 . 2 . 2 20 20 GLN N N 15 122.233 0.073 . 1 . . . . . 16 GLN N . 51696 2 91 . 2 . 2 21 21 THR H H 1 8.221 0.004 . 1 . . . . . 17 THR H . 51696 2 92 . 2 . 2 21 21 THR C C 13 174.474 0.018 . 1 . . . . . 17 THR CO . 51696 2 93 . 2 . 2 21 21 THR CA C 13 61.47 0.023 . 1 . . . . . 17 THR CA . 51696 2 94 . 2 . 2 21 21 THR CB C 13 69.856 0.027 . 1 . . . . . 17 THR CB . 51696 2 95 . 2 . 2 21 21 THR N N 15 115.626 0.034 . 1 . . . . . 17 THR N . 51696 2 96 . 2 . 2 22 22 LEU H H 1 9.108 0.003 . 1 . . . . . 18 LEU H . 51696 2 97 . 2 . 2 22 22 LEU C C 13 174.512 0.002 . 1 . . . . . 18 LEU CO . 51696 2 98 . 2 . 2 22 22 LEU CA C 13 53.19 0.065 . 1 . . . . . 18 LEU CA . 51696 2 99 . 2 . 2 22 22 LEU CB C 13 44.089 0.021 . 1 . . . . . 18 LEU CB . 51696 2 100 . 2 . 2 22 22 LEU N N 15 131.271 0.041 . 1 . . . . . 18 LEU N . 51696 2 101 . 2 . 2 23 23 THR H H 1 7.9 0.003 . 1 . . . . . 19 THR H . 51696 2 102 . 2 . 2 23 23 THR C C 13 174.225 0.035 . 1 . . . . . 19 THR CO . 51696 2 103 . 2 . 2 23 23 THR CA C 13 61.82 0.058 . 1 . . . . . 19 THR CA . 51696 2 104 . 2 . 2 23 23 THR CB C 13 68.802 0.055 . 1 . . . . . 19 THR CB . 51696 2 105 . 2 . 2 23 23 THR N N 15 122.711 0.053 . 1 . . . . . 19 THR N . 51696 2 106 . 2 . 2 24 24 LEU H H 1 8.988 0.004 . 1 . . . . . 20 LEU H . 51696 2 107 . 2 . 2 24 24 LEU C C 13 176.002 0.033 . 1 . . . . . 20 LEU CO . 51696 2 108 . 2 . 2 24 24 LEU CA C 13 52.213 0.041 . 1 . . . . . 20 LEU CA . 51696 2 109 . 2 . 2 24 24 LEU CB C 13 45.621 0.01 . 1 . . . . . 20 LEU CB . 51696 2 110 . 2 . 2 24 24 LEU N N 15 127.782 0.059 . 1 . . . . . 20 LEU N . 51696 2 111 . 2 . 2 25 25 THR H H 1 8.874 0.003 . 1 . . . . . 21 THR H . 51696 2 112 . 2 . 2 25 25 THR C C 13 173.681 0.023 . 1 . . . . . 21 THR CO . 51696 2 113 . 2 . 2 25 25 THR CA C 13 61.511 0.042 . 1 . . . . . 21 THR CA . 51696 2 114 . 2 . 2 25 25 THR CB C 13 70.33 0.016 . 1 . . . . . 21 THR CB . 51696 2 115 . 2 . 2 25 25 THR N N 15 114.513 0.053 . 1 . . . . . 21 THR N . 51696 2 116 . 2 . 2 26 26 CYS H H 1 9.675 0.005 . 1 . . . . . 22 CYS H . 51696 2 117 . 2 . 2 26 26 CYS C C 13 174.518 0.048 . 1 . . . . . 22 CYS CO . 51696 2 118 . 2 . 2 26 26 CYS CA C 13 54.151 0.029 . 1 . . . . . 22 CYS CA . 51696 2 119 . 2 . 2 26 26 CYS CB C 13 42.051 0.015 . 1 . . . . . 22 CYS CB . 51696 2 120 . 2 . 2 26 26 CYS N N 15 127.246 0.042 . 1 . . . . . 22 CYS N . 51696 2 121 . 2 . 2 27 27 THR H H 1 9.062 0.004 . 1 . . . . . 23 THR H . 51696 2 122 . 2 . 2 27 27 THR C C 13 174.725 0.028 . 1 . . . . . 23 THR CO . 51696 2 123 . 2 . 2 27 27 THR CA C 13 61.425 0.025 . 1 . . . . . 23 THR CA . 51696 2 124 . 2 . 2 27 27 THR CB C 13 69.31 0.049 . 1 . . . . . 23 THR CB . 51696 2 125 . 2 . 2 27 27 THR N N 15 125.796 0.035 . 1 . . . . . 23 THR N . 51696 2 126 . 2 . 2 28 28 PHE H H 1 7.71 0.003 . 1 . . . . . 24 PHE H . 51696 2 127 . 2 . 2 28 28 PHE C C 13 174.106 0.022 . 1 . . . . . 24 PHE CO . 51696 2 128 . 2 . 2 28 28 PHE CA C 13 53.634 0.025 . 1 . . . . . 24 PHE CA . 51696 2 129 . 2 . 2 28 28 PHE CB C 13 42.515 0.066 . 1 . . . . . 24 PHE CB . 51696 2 130 . 2 . 2 28 28 PHE N N 15 123.892 0.076 . 1 . . . . . 24 PHE N . 51696 2 131 . 2 . 2 29 29 SER H H 1 9.002 0.003 . 1 . . . . . 25 SER H . 51696 2 132 . 2 . 2 29 29 SER C C 13 174.265 0.006 . 1 . . . . . 25 SER CO . 51696 2 133 . 2 . 2 29 29 SER CA C 13 56.719 0.024 . 1 . . . . . 25 SER CA . 51696 2 134 . 2 . 2 29 29 SER CB C 13 65.346 0.006 . 1 . . . . . 25 SER CB . 51696 2 135 . 2 . 2 29 29 SER N N 15 114.107 0.119 . 1 . . . . . 25 SER N . 51696 2 136 . 2 . 2 30 30 GLY H H 1 8.777 0.003 . 1 . . . . . 26 GLY H . 51696 2 137 . 2 . 2 30 30 GLY C C 13 173.652 0.036 . 1 . . . . . 26 GLY CO . 51696 2 138 . 2 . 2 30 30 GLY CA C 13 45.29 0.041 . 1 . . . . . 26 GLY CA . 51696 2 139 . 2 . 2 30 30 GLY N N 15 110.367 0.05 . 1 . . . . . 26 GLY N . 51696 2 140 . 2 . 2 31 31 PHE H H 1 7.601 0.002 . 1 . . . . . 27 PHE H . 51696 2 141 . 2 . 2 31 31 PHE C C 13 171.834 0.056 . 1 . . . . . 27 PHE CO . 51696 2 142 . 2 . 2 31 31 PHE CA C 13 55.111 0.05 . 1 . . . . . 27 PHE CA . 51696 2 143 . 2 . 2 31 31 PHE CB C 13 39.153 0.018 . 1 . . . . . 27 PHE CB . 51696 2 144 . 2 . 2 31 31 PHE N N 15 113.724 0.046 . 1 . . . . . 27 PHE N . 51696 2 145 . 2 . 2 32 32 SER H H 1 8.615 0.003 . 1 . . . . . 28 SER H . 51696 2 146 . 2 . 2 32 32 SER C C 13 176.269 0.008 . 1 . . . . . 28 SER CO . 51696 2 147 . 2 . 2 32 32 SER CA C 13 55.103 0.042 . 1 . . . . . 28 SER CA . 51696 2 148 . 2 . 2 32 32 SER CB C 13 64.476 0.003 . 1 . . . . . 28 SER CB . 51696 2 149 . 2 . 2 32 32 SER N N 15 112.78 0.04 . 1 . . . . . 28 SER N . 51696 2 150 . 2 . 2 33 33 LEU H H 1 9.088 0.004 . 1 . . . . . 29 LEU H . 51696 2 151 . 2 . 2 33 33 LEU C C 13 175.938 0.009 . 1 . . . . . 29 LEU CO . 51696 2 152 . 2 . 2 33 33 LEU CA C 13 54.53 0.11 . 1 . . . . . 29 LEU CA . 51696 2 153 . 2 . 2 33 33 LEU CB C 13 41.189 0.04 . 1 . . . . . 29 LEU CB . 51696 2 154 . 2 . 2 33 33 LEU N N 15 126.72 0.057 . 1 . . . . . 29 LEU N . 51696 2 155 . 2 . 2 34 34 SER H H 1 8.461 0.004 . 1 . . . . . 30 SER H . 51696 2 156 . 2 . 2 34 34 SER C C 13 175.124 0 . 1 . . . . . 30 SER CO . 51696 2 157 . 2 . 2 34 34 SER CA C 13 58.712 0.046 . 1 . . . . . 30 SER CA . 51696 2 158 . 2 . 2 34 34 SER CB C 13 63.225 0.073 . 1 . . . . . 30 SER CB . 51696 2 159 . 2 . 2 34 34 SER N N 15 111.922 0.072 . 1 . . . . . 30 SER N . 51696 2 160 . 2 . 2 35 35 THR H H 1 7.269 0.002 . 1 . . . . . 31 THR H . 51696 2 161 . 2 . 2 35 35 THR C C 13 172.581 0.018 . 1 . . . . . 31 THR CO . 51696 2 162 . 2 . 2 35 35 THR CA C 13 62.411 0.016 . 1 . . . . . 31 THR CA . 51696 2 163 . 2 . 2 35 35 THR CB C 13 68.723 0.035 . 1 . . . . . 31 THR CB . 51696 2 164 . 2 . 2 35 35 THR N N 15 121.162 0.068 . 1 . . . . . 31 THR N . 51696 2 165 . 2 . 2 36 36 ALA H H 1 8.141 0.004 . 1 . . . . . 32 ALA H . 51696 2 166 . 2 . 2 36 36 ALA C C 13 177.776 0.053 . 1 . . . . . 32 ALA CO . 51696 2 167 . 2 . 2 36 36 ALA CA C 13 52.16 0.021 . 1 . . . . . 32 ALA CA . 51696 2 168 . 2 . 2 36 36 ALA CB C 13 16.297 0.016 . 1 . . . . . 32 ALA CB . 51696 2 169 . 2 . 2 36 36 ALA N N 15 128.491 0.064 . 1 . . . . . 32 ALA N . 51696 2 170 . 2 . 2 37 37 GLY H H 1 3.91 0.004 . 1 . . . . . 33 GLY H . 51696 2 171 . 2 . 2 37 37 GLY C C 13 173.889 0.046 . 1 . . . . . 33 GLY CO . 51696 2 172 . 2 . 2 37 37 GLY CA C 13 44.489 0.104 . 1 . . . . . 33 GLY CA . 51696 2 173 . 2 . 2 37 37 GLY N N 15 106.145 0.048 . 1 . . . . . 33 GLY N . 51696 2 174 . 2 . 2 38 38 MET H H 1 7.372 0.002 . 1 . . . . . 34 MET H . 51696 2 175 . 2 . 2 38 38 MET C C 13 175.557 0.033 . 1 . . . . . 34 MET CO . 51696 2 176 . 2 . 2 38 38 MET CA C 13 54.388 0.037 . 1 . . . . . 34 MET CA . 51696 2 177 . 2 . 2 38 38 MET CB C 13 33.847 0.027 . 1 . . . . . 34 MET CB . 51696 2 178 . 2 . 2 38 38 MET N N 15 117.94 0.067 . 1 . . . . . 34 MET N . 51696 2 179 . 2 . 2 39 39 SER H H 1 7.218 0.003 . 1 . . . . . 35 SER H . 51696 2 180 . 2 . 2 39 39 SER C C 13 173.215 0.054 . 1 . . . . . 35 SER CO . 51696 2 181 . 2 . 2 39 39 SER CA C 13 55.567 0.063 . 1 . . . . . 35 SER CA . 51696 2 182 . 2 . 2 39 39 SER CB C 13 64.526 0.038 . 1 . . . . . 35 SER CB . 51696 2 183 . 2 . 2 39 39 SER N N 15 113.49 0.069 . 1 . . . . . 35 SER N . 51696 2 184 . 2 . 2 40 40 VAL H H 1 7.701 0.008 . 1 . . . . . 36 VAL H . 51696 2 185 . 2 . 2 40 40 VAL C C 13 175.394 0.017 . 1 . . . . . 36 VAL CO . 51696 2 186 . 2 . 2 40 40 VAL CA C 13 60.559 0.089 . 1 . . . . . 36 VAL CA . 51696 2 187 . 2 . 2 40 40 VAL CB C 13 35.605 0.048 . 1 . . . . . 36 VAL CB . 51696 2 188 . 2 . 2 40 40 VAL N N 15 122.692 0.039 . 1 . . . . . 36 VAL N . 51696 2 189 . 2 . 2 41 41 GLY H H 1 9.084 0.004 . 1 . . . . . 37 GLY H . 51696 2 190 . 2 . 2 41 41 GLY C C 13 171.148 0.009 . 1 . . . . . 37 GLY CO . 51696 2 191 . 2 . 2 41 41 GLY CA C 13 42.983 0.031 . 1 . . . . . 37 GLY CA . 51696 2 192 . 2 . 2 41 41 GLY N N 15 110.995 0.053 . 1 . . . . . 37 GLY N . 51696 2 193 . 2 . 2 42 42 TRP H H 1 8.537 0.001 . 1 . . . . . 38 TRP H . 51696 2 194 . 2 . 2 42 42 TRP C C 13 175.654 0.003 . 1 . . . . . 38 TRP CO . 51696 2 195 . 2 . 2 42 42 TRP CA C 13 55.211 0.036 . 1 . . . . . 38 TRP CA . 51696 2 196 . 2 . 2 42 42 TRP CB C 13 33.353 0.017 . 1 . . . . . 38 TRP CB . 51696 2 197 . 2 . 2 42 42 TRP N N 15 115.108 0.06 . 1 . . . . . 38 TRP N . 51696 2 198 . 2 . 2 43 43 ILE H H 1 9.714 0.004 . 1 . . . . . 39 ILE H . 51696 2 199 . 2 . 2 43 43 ILE C C 13 174.865 0.811 . 1 . . . . . 39 ILE CO . 51696 2 200 . 2 . 2 43 43 ILE CA C 13 60.495 0.06 . 1 . . . . . 39 ILE CA . 51696 2 201 . 2 . 2 43 43 ILE CB C 13 43.329 0.061 . 1 . . . . . 39 ILE CB . 51696 2 202 . 2 . 2 43 43 ILE N N 15 125.578 0.07 . 1 . . . . . 39 ILE N . 51696 2 203 . 2 . 2 44 44 ARG H H 1 9.554 0.003 . 1 . . . . . 40 ARG H . 51696 2 204 . 2 . 2 44 44 ARG C C 13 174.292 0.006 . 1 . . . . . 40 ARG CO . 51696 2 205 . 2 . 2 44 44 ARG CA C 13 52.92 0.08 . 1 . . . . . 40 ARG CA . 51696 2 206 . 2 . 2 44 44 ARG CB C 13 33.021 0.087 . 1 . . . . . 40 ARG CB . 51696 2 207 . 2 . 2 44 44 ARG N N 15 121.918 0.055 . 1 . . . . . 40 ARG N . 51696 2 208 . 2 . 2 45 45 GLN H H 1 8.88 0.002 . 1 . . . . . 41 GLN H . 51696 2 209 . 2 . 2 45 45 GLN C C 13 173.81 0 . 1 . . . . . 41 GLN CO . 51696 2 210 . 2 . 2 45 45 GLN CA C 13 52.336 0 . 1 . . . . . 41 GLN CA . 51696 2 211 . 2 . 2 45 45 GLN CB C 13 31.942 0 . 1 . . . . . 41 GLN CB . 51696 2 212 . 2 . 2 45 45 GLN N N 15 119.5 0.065 . 1 . . . . . 41 GLN N . 51696 2 213 . 2 . 2 47 47 PRO C C 13 179.095 0.008 . 1 . . . . . 43 PRO CO . 51696 2 214 . 2 . 2 47 47 PRO CA C 13 63.49 0.055 . 1 . . . . . 43 PRO CA . 51696 2 215 . 2 . 2 47 47 PRO CB C 13 30.503 0.035 . 1 . . . . . 43 PRO CB . 51696 2 216 . 2 . 2 48 48 GLY H H 1 8.723 0.003 . 1 . . . . . 44 GLY H . 51696 2 217 . 2 . 2 48 48 GLY C C 13 175.138 0.021 . 1 . . . . . 44 GLY CO . 51696 2 218 . 2 . 2 48 48 GLY CA C 13 45.633 0.017 . 1 . . . . . 44 GLY CA . 51696 2 219 . 2 . 2 48 48 GLY N N 15 113.068 0.041 . 1 . . . . . 44 GLY N . 51696 2 220 . 2 . 2 49 49 LYS H H 1 7.912 0.003 . 1 . . . . . 45 LYS H . 51696 2 221 . 2 . 2 49 49 LYS C C 13 175.701 0.055 . 1 . . . . . 45 LYS CO . 51696 2 222 . 2 . 2 49 49 LYS CA C 13 54.136 0.017 . 1 . . . . . 45 LYS CA . 51696 2 223 . 2 . 2 49 49 LYS CB C 13 34.199 0.032 . 1 . . . . . 45 LYS CB . 51696 2 224 . 2 . 2 49 49 LYS N N 15 120.102 0.061 . 1 . . . . . 45 LYS N . 51696 2 225 . 2 . 2 50 50 ALA H H 1 7.903 0.003 . 1 . . . . . 46 ALA H . 51696 2 226 . 2 . 2 50 50 ALA C C 13 177.566 0.02 . 1 . . . . . 46 ALA CO . 51696 2 227 . 2 . 2 50 50 ALA CA C 13 51.304 0.037 . 1 . . . . . 46 ALA CA . 51696 2 228 . 2 . 2 50 50 ALA CB C 13 19.886 0.014 . 1 . . . . . 46 ALA CB . 51696 2 229 . 2 . 2 50 50 ALA N N 15 120.192 0.039 . 1 . . . . . 46 ALA N . 51696 2 230 . 2 . 2 51 51 LEU H H 1 8.347 0.005 . 1 . . . . . 47 LEU H . 51696 2 231 . 2 . 2 51 51 LEU C C 13 175.518 0.016 . 1 . . . . . 47 LEU CO . 51696 2 232 . 2 . 2 51 51 LEU CA C 13 54.882 0.036 . 1 . . . . . 47 LEU CA . 51696 2 233 . 2 . 2 51 51 LEU CB C 13 40.697 0.032 . 1 . . . . . 47 LEU CB . 51696 2 234 . 2 . 2 51 51 LEU N N 15 116.773 0.066 . 1 . . . . . 47 LEU N . 51696 2 235 . 2 . 2 52 52 GLU H H 1 8.834 0.002 . 1 . . . . . 48 GLU H . 51696 2 236 . 2 . 2 52 52 GLU C C 13 176.204 0.024 . 1 . . . . . 48 GLU CO . 51696 2 237 . 2 . 2 52 52 GLU CA C 13 54.836 0.052 . 1 . . . . . 48 GLU CA . 51696 2 238 . 2 . 2 52 52 GLU CB C 13 32.784 0.057 . 1 . . . . . 48 GLU CB . 51696 2 239 . 2 . 2 52 52 GLU N N 15 120.369 0.041 . 1 . . . . . 48 GLU N . 51696 2 240 . 2 . 2 53 53 TRP H H 1 10.075 0.003 . 1 . . . . . 49 TRP H . 51696 2 241 . 2 . 2 53 53 TRP C C 13 174.356 0.03 . 1 . . . . . 49 TRP CO . 51696 2 242 . 2 . 2 53 53 TRP CA C 13 59.41 0.066 . 1 . . . . . 49 TRP CA . 51696 2 243 . 2 . 2 53 53 TRP CB C 13 27.602 0.037 . 1 . . . . . 49 TRP CB . 51696 2 244 . 2 . 2 53 53 TRP N N 15 129.176 0.048 . 1 . . . . . 49 TRP N . 51696 2 245 . 2 . 2 54 54 LEU H H 1 8.347 0.006 . 1 . . . . . 50 LEU H . 51696 2 246 . 2 . 2 54 54 LEU C C 13 174.608 0.011 . 1 . . . . . 50 LEU CO . 51696 2 247 . 2 . 2 54 54 LEU CA C 13 55.321 0.057 . 1 . . . . . 50 LEU CA . 51696 2 248 . 2 . 2 54 54 LEU CB C 13 44.073 0.042 . 1 . . . . . 50 LEU CB . 51696 2 249 . 2 . 2 54 54 LEU N N 15 125.127 0.06 . 1 . . . . . 50 LEU N . 51696 2 250 . 2 . 2 55 55 ALA H H 1 6.482 0.003 . 1 . . . . . 51 ALA H . 51696 2 251 . 2 . 2 55 55 ALA C C 13 177.984 0.009 . 1 . . . . . 51 ALA CO . 51696 2 252 . 2 . 2 55 55 ALA CA C 13 50.857 0.047 . 1 . . . . . 51 ALA CA . 51696 2 253 . 2 . 2 55 55 ALA CB C 13 23.315 0.023 . 1 . . . . . 51 ALA CB . 51696 2 254 . 2 . 2 55 55 ALA N N 15 113.599 0.084 . 1 . . . . . 51 ALA N . 51696 2 255 . 2 . 2 56 56 ASP H H 1 9.568 0.002 . 1 . . . . . 52 ASP H . 51696 2 256 . 2 . 2 56 56 ASP C C 13 172.591 0.049 . 1 . . . . . 52 ASP CO . 51696 2 257 . 2 . 2 56 56 ASP CA C 13 53.703 0.066 . 1 . . . . . 52 ASP CA . 51696 2 258 . 2 . 2 56 56 ASP CB C 13 43.272 0.016 . 1 . . . . . 52 ASP CB . 51696 2 259 . 2 . 2 56 56 ASP N N 15 120.138 0.047 . 1 . . . . . 52 ASP N . 51696 2 260 . 2 . 2 57 57 ILE H H 1 8.307 0.002 . 1 . . . . . 53 ILE H . 51696 2 261 . 2 . 2 57 57 ILE C C 13 174.019 0.027 . 1 . . . . . 53 ILE CO . 51696 2 262 . 2 . 2 57 57 ILE CA C 13 59.309 0.078 . 1 . . . . . 53 ILE CA . 51696 2 263 . 2 . 2 57 57 ILE CB C 13 40.849 0.03 . 1 . . . . . 53 ILE CB . 51696 2 264 . 2 . 2 57 57 ILE N N 15 113.708 0.043 . 1 . . . . . 53 ILE N . 51696 2 265 . 2 . 2 58 58 TRP H H 1 8.561 0.005 . 1 . . . . . 54 TRP H . 51696 2 266 . 2 . 2 58 58 TRP C C 13 179.237 0 . 1 . . . . . 54 TRP CO . 51696 2 267 . 2 . 2 58 58 TRP CA C 13 56.129 0 . 1 . . . . . 54 TRP CA . 51696 2 268 . 2 . 2 58 58 TRP CB C 13 32.399 0 . 1 . . . . . 54 TRP CB . 51696 2 269 . 2 . 2 58 58 TRP N N 15 128.682 0.073 . 1 . . . . . 54 TRP N . 51696 2 270 . 2 . 2 59 59 TRP C C 13 175.058 0 . 1 . . . . . 55 TRP CO . 51696 2 271 . 2 . 2 59 59 TRP CA C 13 60.52 0.131 . 1 . . . . . 55 TRP CA . 51696 2 272 . 2 . 2 60 60 ASP H H 1 6.898 0.003 . 1 . . . . . 56 ASP H . 51696 2 273 . 2 . 2 60 60 ASP C C 13 177.244 0.049 . 1 . . . . . 56 ASP CO . 51696 2 274 . 2 . 2 60 60 ASP CA C 13 51.673 0.013 . 1 . . . . . 56 ASP CA . 51696 2 275 . 2 . 2 60 60 ASP CB C 13 37.701 0.043 . 1 . . . . . 56 ASP CB . 51696 2 276 . 2 . 2 60 60 ASP N N 15 120.101 0.079 . 1 . . . . . 56 ASP N . 51696 2 277 . 2 . 2 61 61 ASP H H 1 8.311 0.006 . 1 . . . . . 57 ASP H . 51696 2 278 . 2 . 2 61 61 ASP C C 13 176.19 0.011 . 1 . . . . . 57 ASP CO . 51696 2 279 . 2 . 2 61 61 ASP CA C 13 55.973 0.071 . 1 . . . . . 57 ASP CA . 51696 2 280 . 2 . 2 61 61 ASP CB C 13 40.721 0.044 . 1 . . . . . 57 ASP CB . 51696 2 281 . 2 . 2 61 61 ASP N N 15 115.897 0.074 . 1 . . . . . 57 ASP N . 51696 2 282 . 2 . 2 62 62 LYS H H 1 7.269 0.004 . 1 . . . . . 58 LYS H . 51696 2 283 . 2 . 2 62 62 LYS C C 13 176.269 0 . 1 . . . . . 58 LYS CO . 51696 2 284 . 2 . 2 62 62 LYS CA C 13 57.632 0.042 . 1 . . . . . 58 LYS CA . 51696 2 285 . 2 . 2 62 62 LYS CB C 13 31.422 0.055 . 1 . . . . . 58 LYS CB . 51696 2 286 . 2 . 2 62 62 LYS N N 15 119.704 0.06 . 1 . . . . . 58 LYS N . 51696 2 287 . 2 . 2 63 63 LYS H H 1 7.689 0.003 . 1 . . . . . 59 LYS H . 51696 2 288 . 2 . 2 63 63 LYS C C 13 175.812 0.033 . 1 . . . . . 59 LYS CO . 51696 2 289 . 2 . 2 63 63 LYS CA C 13 54.427 0.077 . 1 . . . . . 59 LYS CA . 51696 2 290 . 2 . 2 63 63 LYS CB C 13 35.076 0.014 . 1 . . . . . 59 LYS CB . 51696 2 291 . 2 . 2 63 63 LYS N N 15 120.709 0.035 . 1 . . . . . 59 LYS N . 51696 2 292 . 2 . 2 64 64 HIS H H 1 7.995 0.002 . 1 . . . . . 60 HIS H . 51696 2 293 . 2 . 2 64 64 HIS C C 13 173.149 0.033 . 1 . . . . . 60 HIS CO . 51696 2 294 . 2 . 2 64 64 HIS CA C 13 54.274 0.066 . 1 . . . . . 60 HIS CA . 51696 2 295 . 2 . 2 64 64 HIS CB C 13 31.293 0.036 . 1 . . . . . 60 HIS CB . 51696 2 296 . 2 . 2 64 64 HIS N N 15 116.473 0.046 . 1 . . . . . 60 HIS N . 51696 2 297 . 2 . 2 65 65 TYR H H 1 8.762 0.003 . 1 . . . . . 61 TYR H . 51696 2 298 . 2 . 2 65 65 TYR C C 13 176.581 0.063 . 1 . . . . . 61 TYR CO . 51696 2 299 . 2 . 2 65 65 TYR CA C 13 55.748 0 . 1 . . . . . 61 TYR CA . 51696 2 300 . 2 . 2 65 65 TYR CB C 13 42.035 0.067 . 1 . . . . . 61 TYR CB . 51696 2 301 . 2 . 2 65 65 TYR N N 15 117.278 0.04 . 1 . . . . . 61 TYR N . 51696 2 302 . 2 . 2 66 66 ASN H H 1 8.152 0.003 . 1 . . . . . 62 ASN H . 51696 2 303 . 2 . 2 66 66 ASN C C 13 177.896 0 . 1 . . . . . 62 ASN CO . 51696 2 304 . 2 . 2 66 66 ASN CA C 13 51.922 0.001 . 1 . . . . . 62 ASN CA . 51696 2 305 . 2 . 2 66 66 ASN CB C 13 37.873 0 . 1 . . . . . 62 ASN CB . 51696 2 306 . 2 . 2 66 66 ASN N N 15 124.99 0.044 . 1 . . . . . 62 ASN N . 51696 2 307 . 2 . 2 70 70 LYS H H 1 8.42 0.001 . 1 . . . . . 66 LYS H . 51696 2 308 . 2 . 2 70 70 LYS C C 13 176.38 0 . 1 . . . . . 66 LYS CO . 51696 2 309 . 2 . 2 70 70 LYS CA C 13 59.188 0.097 . 1 . . . . . 66 LYS CA . 51696 2 310 . 2 . 2 70 70 LYS CB C 13 31.196 0 . 1 . . . . . 66 LYS CB . 51696 2 311 . 2 . 2 70 70 LYS N N 15 120.413 0.035 . 1 . . . . . 66 LYS N . 51696 2 312 . 2 . 2 71 71 ASP H H 1 8.425 0.002 . 1 . . . . . 67 ASP H . 51696 2 313 . 2 . 2 71 71 ASP C C 13 177.347 0.038 . 1 . . . . . 67 ASP CO . 51696 2 314 . 2 . 2 71 71 ASP CA C 13 55.388 0.043 . 1 . . . . . 67 ASP CA . 51696 2 315 . 2 . 2 71 71 ASP CB C 13 39.248 0.013 . 1 . . . . . 67 ASP CB . 51696 2 316 . 2 . 2 71 71 ASP N N 15 117.175 0.064 . 1 . . . . . 67 ASP N . 51696 2 317 . 2 . 2 72 72 ARG H H 1 7.843 0.005 . 1 . . . . . 68 ARG H . 51696 2 318 . 2 . 2 72 72 ARG C C 13 176.104 0.042 . 1 . . . . . 68 ARG CO . 51696 2 319 . 2 . 2 72 72 ARG CA C 13 55.969 0.034 . 1 . . . . . 68 ARG CA . 51696 2 320 . 2 . 2 72 72 ARG CB C 13 31.301 0.072 . 1 . . . . . 68 ARG CB . 51696 2 321 . 2 . 2 72 72 ARG N N 15 116.696 0.07 . 1 . . . . . 68 ARG N . 51696 2 322 . 2 . 2 73 73 LEU H H 1 6.949 0.004 . 1 . . . . . 69 LEU H . 51696 2 323 . 2 . 2 73 73 LEU C C 13 176.994 0.029 . 1 . . . . . 69 LEU CO . 51696 2 324 . 2 . 2 73 73 LEU CA C 13 53.201 0.026 . 1 . . . . . 69 LEU CA . 51696 2 325 . 2 . 2 73 73 LEU CB C 13 45.85 0.006 . 1 . . . . . 69 LEU CB . 51696 2 326 . 2 . 2 73 73 LEU N N 15 117.403 0.075 . 1 . . . . . 69 LEU N . 51696 2 327 . 2 . 2 74 74 THR H H 1 8.191 0.002 . 1 . . . . . 70 THR H . 51696 2 328 . 2 . 2 74 74 THR C C 13 173.205 0.029 . 1 . . . . . 70 THR CO . 51696 2 329 . 2 . 2 74 74 THR CA C 13 62.332 0.025 . 1 . . . . . 70 THR CA . 51696 2 330 . 2 . 2 74 74 THR CB C 13 71.513 0.029 . 1 . . . . . 70 THR CB . 51696 2 331 . 2 . 2 74 74 THR N N 15 113.468 0.039 . 1 . . . . . 70 THR N . 51696 2 332 . 2 . 2 75 75 ILE H H 1 8.727 0.004 . 1 . . . . . 71 ILE H . 51696 2 333 . 2 . 2 75 75 ILE C C 13 172.412 0.031 . 1 . . . . . 71 ILE CO . 51696 2 334 . 2 . 2 75 75 ILE CA C 13 58.055 0.038 . 1 . . . . . 71 ILE CA . 51696 2 335 . 2 . 2 75 75 ILE CB C 13 42.46 0.047 . 1 . . . . . 71 ILE CB . 51696 2 336 . 2 . 2 75 75 ILE N N 15 129.912 0.059 . 1 . . . . . 71 ILE N . 51696 2 337 . 2 . 2 76 76 SER H H 1 8.78 0.003 . 1 . . . . . 72 SER H . 51696 2 338 . 2 . 2 76 76 SER C C 13 172.887 0.022 . 1 . . . . . 72 SER CO . 51696 2 339 . 2 . 2 76 76 SER CA C 13 57.152 0.024 . 1 . . . . . 72 SER CA . 51696 2 340 . 2 . 2 76 76 SER CB C 13 65.306 0.014 . 1 . . . . . 72 SER CB . 51696 2 341 . 2 . 2 76 76 SER N N 15 119.37 0.046 . 1 . . . . . 72 SER N . 51696 2 342 . 2 . 2 77 77 LYS H H 1 8.949 0.003 . 1 . . . . . 73 LYS H . 51696 2 343 . 2 . 2 77 77 LYS C C 13 174.612 0.015 . 1 . . . . . 73 LYS CO . 51696 2 344 . 2 . 2 77 77 LYS CA C 13 53.789 0.067 . 1 . . . . . 73 LYS CA . 51696 2 345 . 2 . 2 77 77 LYS CB C 13 35.999 0.022 . 1 . . . . . 73 LYS CB . 51696 2 346 . 2 . 2 77 77 LYS N N 15 117.591 0.036 . 1 . . . . . 73 LYS N . 51696 2 347 . 2 . 2 78 78 ASP H H 1 8.634 0.003 . 1 . . . . . 74 ASP H . 51696 2 348 . 2 . 2 78 78 ASP C C 13 178.14 0 . 1 . . . . . 74 ASP CO . 51696 2 349 . 2 . 2 78 78 ASP CA C 13 52.785 0.037 . 1 . . . . . 74 ASP CA . 51696 2 350 . 2 . 2 78 78 ASP CB C 13 41.505 0 . 1 . . . . . 74 ASP CB . 51696 2 351 . 2 . 2 78 78 ASP N N 15 121.494 0.055 . 1 . . . . . 74 ASP N . 51696 2 352 . 2 . 2 79 79 THR C C 13 176.786 0 . 1 . . . . . 75 THR CO . 51696 2 353 . 2 . 2 79 79 THR CA C 13 64.401 0 . 1 . . . . . 75 THR CA . 51696 2 354 . 2 . 2 80 80 SER H H 1 8.532 0.003 . 1 . . . . . 76 SER H . 51696 2 355 . 2 . 2 80 80 SER C C 13 175.503 0 . 1 . . . . . 76 SER CO . 51696 2 356 . 2 . 2 80 80 SER CA C 13 60.282 0.053 . 1 . . . . . 76 SER CA . 51696 2 357 . 2 . 2 80 80 SER CB C 13 62.809 0.062 . 1 . . . . . 76 SER CB . 51696 2 358 . 2 . 2 80 80 SER N N 15 118.447 0.06 . 1 . . . . . 76 SER N . 51696 2 359 . 2 . 2 81 81 LYS H H 1 7.287 0.003 . 1 . . . . . 77 LYS H . 51696 2 360 . 2 . 2 81 81 LYS C C 13 175.769 0.008 . 1 . . . . . 77 LYS CO . 51696 2 361 . 2 . 2 81 81 LYS CA C 13 54.888 0.058 . 1 . . . . . 77 LYS CA . 51696 2 362 . 2 . 2 81 81 LYS CB C 13 32.981 0.048 . 1 . . . . . 77 LYS CB . 51696 2 363 . 2 . 2 81 81 LYS N N 15 119.356 0.064 . 1 . . . . . 77 LYS N . 51696 2 364 . 2 . 2 82 82 ASN H H 1 7.547 0.002 . 1 . . . . . 78 ASN H . 51696 2 365 . 2 . 2 82 82 ASN C C 13 172.122 0.023 . 1 . . . . . 78 ASN CO . 51696 2 366 . 2 . 2 82 82 ASN CA C 13 53.489 0.07 . 1 . . . . . 78 ASN CA . 51696 2 367 . 2 . 2 82 82 ASN CB C 13 35.637 0.02 . 1 . . . . . 78 ASN CB . 51696 2 368 . 2 . 2 82 82 ASN N N 15 117.21 0.067 . 1 . . . . . 78 ASN N . 51696 2 369 . 2 . 2 83 83 GLN H H 1 7.293 0.002 . 1 . . . . . 79 GLN H . 51696 2 370 . 2 . 2 83 83 GLN C C 13 176.193 0.022 . 1 . . . . . 79 GLN CO . 51696 2 371 . 2 . 2 83 83 GLN CA C 13 53.552 0.035 . 1 . . . . . 79 GLN CA . 51696 2 372 . 2 . 2 83 83 GLN CB C 13 33.253 0.011 . 1 . . . . . 79 GLN CB . 51696 2 373 . 2 . 2 83 83 GLN N N 15 111.77 0.047 . 1 . . . . . 79 GLN N . 51696 2 374 . 2 . 2 84 84 VAL H H 1 9 0.003 . 1 . . . . . 80 VAL H . 51696 2 375 . 2 . 2 84 84 VAL C C 13 174.697 0.031 . 1 . . . . . 80 VAL CO . 51696 2 376 . 2 . 2 84 84 VAL CA C 13 60.712 0.107 . 1 . . . . . 80 VAL CA . 51696 2 377 . 2 . 2 84 84 VAL CB C 13 35.446 0.009 . 1 . . . . . 80 VAL CB . 51696 2 378 . 2 . 2 84 84 VAL N N 15 122.204 0.048 . 1 . . . . . 80 VAL N . 51696 2 379 . 2 . 2 85 85 VAL H H 1 8.865 0.004 . 1 . . . . . 81 VAL H . 51696 2 380 . 2 . 2 85 85 VAL C C 13 174.781 0.03 . 1 . . . . . 81 VAL CO . 51696 2 381 . 2 . 2 85 85 VAL CA C 13 60.579 0.093 . 1 . . . . . 81 VAL CA . 51696 2 382 . 2 . 2 85 85 VAL CB C 13 33.866 0.008 . 1 . . . . . 81 VAL CB . 51696 2 383 . 2 . 2 85 85 VAL N N 15 129.671 0.053 . 1 . . . . . 81 VAL N . 51696 2 384 . 2 . 2 86 86 LEU H H 1 8.883 0.004 . 1 . . . . . 82 LEU H . 51696 2 385 . 2 . 2 86 86 LEU C C 13 174.199 0.004 . 1 . . . . . 82 LEU CO . 51696 2 386 . 2 . 2 86 86 LEU CA C 13 52.413 0.037 . 1 . . . . . 82 LEU CA . 51696 2 387 . 2 . 2 86 86 LEU CB C 13 43.37 0.042 . 1 . . . . . 82 LEU CB . 51696 2 388 . 2 . 2 86 86 LEU N N 15 128.644 0.035 . 1 . . . . . 82 LEU N . 51696 2 389 . 2 . 2 87 87 LYS H H 1 8.681 0.002 . 1 . . . . . 83 LYS H . 51696 2 390 . 2 . 2 87 87 LYS C C 13 176.244 0.003 . 1 . . . . . 83 LYS CO . 51696 2 391 . 2 . 2 87 87 LYS CA C 13 53.882 0.039 . 1 . . . . . 83 LYS CA . 51696 2 392 . 2 . 2 87 87 LYS CB C 13 34.245 0.065 . 1 . . . . . 83 LYS CB . 51696 2 393 . 2 . 2 87 87 LYS N N 15 126.709 0.045 . 1 . . . . . 83 LYS N . 51696 2 394 . 2 . 2 88 88 VAL H H 1 8.891 0.002 . 1 . . . . . 84 VAL H . 51696 2 395 . 2 . 2 88 88 VAL C C 13 176.523 0.064 . 1 . . . . . 84 VAL CO . 51696 2 396 . 2 . 2 88 88 VAL CA C 13 59.668 0.047 . 1 . . . . . 84 VAL CA . 51696 2 397 . 2 . 2 88 88 VAL CB C 13 31.798 0.028 . 1 . . . . . 84 VAL CB . 51696 2 398 . 2 . 2 88 88 VAL N N 15 124.875 0.048 . 1 . . . . . 84 VAL N . 51696 2 399 . 2 . 2 89 89 THR H H 1 8.896 0.002 . 1 . . . . . 85 THR H . 51696 2 400 . 2 . 2 89 89 THR C C 13 174.771 0.097 . 1 . . . . . 85 THR CO . 51696 2 401 . 2 . 2 89 89 THR CA C 13 60.731 0.084 . 1 . . . . . 85 THR CA . 51696 2 402 . 2 . 2 89 89 THR CB C 13 70.179 0.036 . 1 . . . . . 85 THR CB . 51696 2 403 . 2 . 2 89 89 THR N N 15 116.796 0.045 . 1 . . . . . 85 THR N . 51696 2 404 . 2 . 2 90 90 ASN H H 1 8.731 0.004 . 1 . . . . . 86 ASN H . 51696 2 405 . 2 . 2 90 90 ASN C C 13 174.517 0.028 . 1 . . . . . 86 ASN CO . 51696 2 406 . 2 . 2 90 90 ASN CA C 13 52.656 0.052 . 1 . . . . . 86 ASN CA . 51696 2 407 . 2 . 2 90 90 ASN CB C 13 36.778 0.033 . 1 . . . . . 86 ASN CB . 51696 2 408 . 2 . 2 90 90 ASN N N 15 116.663 0.06 . 1 . . . . . 86 ASN N . 51696 2 409 . 2 . 2 91 91 MET H H 1 7.906 0.005 . 1 . . . . . 87 MET H . 51696 2 410 . 2 . 2 91 91 MET C C 13 176.568 0.021 . 1 . . . . . 87 MET CO . 51696 2 411 . 2 . 2 91 91 MET CA C 13 55.702 0.043 . 1 . . . . . 87 MET CA . 51696 2 412 . 2 . 2 91 91 MET CB C 13 31.523 0.045 . 1 . . . . . 87 MET CB . 51696 2 413 . 2 . 2 91 91 MET N N 15 114.445 0.058 . 1 . . . . . 87 MET N . 51696 2 414 . 2 . 2 92 92 ASP H H 1 9.832 0.003 . 1 . . . . . 88 ASP H . 51696 2 415 . 2 . 2 92 92 ASP C C 13 174.918 0 . 1 . . . . . 88 ASP CO . 51696 2 416 . 2 . 2 92 92 ASP CA C 13 51.27 0.045 . 1 . . . . . 88 ASP CA . 51696 2 417 . 2 . 2 92 92 ASP CB C 13 45.208 0 . 1 . . . . . 88 ASP CB . 51696 2 418 . 2 . 2 92 92 ASP N N 15 127.168 0.029 . 1 . . . . . 88 ASP N . 51696 2 419 . 2 . 2 93 93 PRO C C 13 178.414 0 . 1 . . . . . 89 PRO CO . 51696 2 420 . 2 . 2 93 93 PRO CA C 13 66.32 0.03 . 1 . . . . . 89 PRO CA . 51696 2 421 . 2 . 2 93 93 PRO CB C 13 31.217 0.015 . 1 . . . . . 89 PRO CB . 51696 2 422 . 2 . 2 94 94 ALA H H 1 9.406 0.003 . 1 . . . . . 90 ALA H . 51696 2 423 . 2 . 2 94 94 ALA C C 13 178.707 0.038 . 1 . . . . . 90 ALA CO . 51696 2 424 . 2 . 2 94 94 ALA CA C 13 53.841 0.041 . 1 . . . . . 90 ALA CA . 51696 2 425 . 2 . 2 94 94 ALA CB C 13 17.444 0.003 . 1 . . . . . 90 ALA CB . 51696 2 426 . 2 . 2 94 94 ALA N N 15 121.082 0.038 . 1 . . . . . 90 ALA N . 51696 2 427 . 2 . 2 95 95 ASP H H 1 8.906 0.004 . 1 . . . . . 91 ASP H . 51696 2 428 . 2 . 2 95 95 ASP C C 13 176.996 0.035 . 1 . . . . . 91 ASP CO . 51696 2 429 . 2 . 2 95 95 ASP CA C 13 54.625 0.038 . 1 . . . . . 91 ASP CA . 51696 2 430 . 2 . 2 95 95 ASP CB C 13 42.304 0.024 . 1 . . . . . 91 ASP CB . 51696 2 431 . 2 . 2 95 95 ASP N N 15 115.891 0.056 . 1 . . . . . 91 ASP N . 51696 2 432 . 2 . 2 96 96 THR H H 1 7.595 0.003 . 1 . . . . . 92 THR H . 51696 2 433 . 2 . 2 96 96 THR C C 13 174.808 0.002 . 1 . . . . . 92 THR CO . 51696 2 434 . 2 . 2 96 96 THR CA C 13 64.189 0.048 . 1 . . . . . 92 THR CA . 51696 2 435 . 2 . 2 96 96 THR CB C 13 69.786 0.017 . 1 . . . . . 92 THR CB . 51696 2 436 . 2 . 2 96 96 THR N N 15 121.964 0.037 . 1 . . . . . 92 THR N . 51696 2 437 . 2 . 2 97 97 ALA H H 1 8.823 0.004 . 1 . . . . . 93 ALA H . 51696 2 438 . 2 . 2 97 97 ALA C C 13 176.061 0.027 . 1 . . . . . 93 ALA CO . 51696 2 439 . 2 . 2 97 97 ALA CA C 13 52.221 0.04 . 1 . . . . . 93 ALA CA . 51696 2 440 . 2 . 2 97 97 ALA CB C 13 19.638 0.029 . 1 . . . . . 93 ALA CB . 51696 2 441 . 2 . 2 97 97 ALA N N 15 126.917 0.048 . 1 . . . . . 93 ALA N . 51696 2 442 . 2 . 2 98 98 THR H H 1 7.426 0.004 . 1 . . . . . 94 THR H . 51696 2 443 . 2 . 2 98 98 THR C C 13 173.654 0.081 . 1 . . . . . 94 THR CO . 51696 2 444 . 2 . 2 98 98 THR CA C 13 62.715 0.076 . 1 . . . . . 94 THR CA . 51696 2 445 . 2 . 2 98 98 THR CB C 13 68.656 0.031 . 1 . . . . . 94 THR CB . 51696 2 446 . 2 . 2 98 98 THR N N 15 116.424 0.039 . 1 . . . . . 94 THR N . 51696 2 447 . 2 . 2 99 99 TYR H H 1 9.257 0.002 . 1 . . . . . 95 TYR H . 51696 2 448 . 2 . 2 99 99 TYR C C 13 174.31 0.048 . 1 . . . . . 95 TYR CO . 51696 2 449 . 2 . 2 99 99 TYR CA C 13 57.862 0.03 . 1 . . . . . 95 TYR CA . 51696 2 450 . 2 . 2 99 99 TYR CB C 13 40.794 0.065 . 1 . . . . . 95 TYR CB . 51696 2 451 . 2 . 2 99 99 TYR N N 15 127.671 0.046 . 1 . . . . . 95 TYR N . 51696 2 452 . 2 . 2 100 100 TYR H H 1 9.713 0.003 . 1 . . . . . 96 TYR H . 51696 2 453 . 2 . 2 100 100 TYR C C 13 176.276 0.017 . 1 . . . . . 96 TYR CO . 51696 2 454 . 2 . 2 100 100 TYR CA C 13 55.792 0.03 . 1 . . . . . 96 TYR CA . 51696 2 455 . 2 . 2 100 100 TYR CB C 13 42.488 0.025 . 1 . . . . . 96 TYR CB . 51696 2 456 . 2 . 2 100 100 TYR N N 15 119.874 0.051 . 1 . . . . . 96 TYR N . 51696 2 457 . 2 . 2 101 101 CYS H H 1 10.859 0.004 . 1 . . . . . 97 CYS H . 51696 2 458 . 2 . 2 101 101 CYS C C 13 172.641 0.068 . 1 . . . . . 97 CYS CO . 51696 2 459 . 2 . 2 101 101 CYS CA C 13 52.242 0.063 . 1 . . . . . 97 CYS CA . 51696 2 460 . 2 . 2 101 101 CYS CB C 13 46.38 0.008 . 1 . . . . . 97 CYS CB . 51696 2 461 . 2 . 2 101 101 CYS N N 15 121.303 0.058 . 1 . . . . . 97 CYS N . 51696 2 462 . 2 . 2 102 102 ALA H H 1 7.917 0.003 . 1 . . . . . 98 ALA H . 51696 2 463 . 2 . 2 102 102 ALA C C 13 175.161 0.022 . 1 . . . . . 98 ALA CO . 51696 2 464 . 2 . 2 102 102 ALA CA C 13 50.671 0.049 . 1 . . . . . 98 ALA CA . 51696 2 465 . 2 . 2 102 102 ALA CB C 13 20.35 0.035 . 1 . . . . . 98 ALA CB . 51696 2 466 . 2 . 2 102 102 ALA N N 15 119.614 0.067 . 1 . . . . . 98 ALA N . 51696 2 467 . 2 . 2 103 103 ARG H H 1 8.268 0.002 . 1 . . . . . 99 ARG H . 51696 2 468 . 2 . 2 103 103 ARG C C 13 173.982 0 . 1 . . . . . 99 ARG CO . 51696 2 469 . 2 . 2 103 103 ARG CA C 13 55.667 0 . 1 . . . . . 99 ARG CA . 51696 2 470 . 2 . 2 103 103 ARG CB C 13 30.112 0 . 1 . . . . . 99 ARG CB . 51696 2 471 . 2 . 2 103 103 ARG N N 15 122.445 0.061 . 1 . . . . . 99 ARG N . 51696 2 472 . 2 . 2 108 108 ASN C C 13 174.313 0.054 . 1 . . . . . 104 ASN CO . 51696 2 473 . 2 . 2 108 108 ASN CA C 13 53.181 0 . 1 . . . . . 104 ASN CA . 51696 2 474 . 2 . 2 109 109 PHE H H 1 7.517 0.003 . 1 . . . . . 105 PHE H . 51696 2 475 . 2 . 2 109 109 PHE C C 13 175.17 0.051 . 1 . . . . . 105 PHE CO . 51696 2 476 . 2 . 2 109 109 PHE CA C 13 60.247 0.054 . 1 . . . . . 105 PHE CA . 51696 2 477 . 2 . 2 109 109 PHE CB C 13 34.723 0.061 . 1 . . . . . 105 PHE CB . 51696 2 478 . 2 . 2 109 109 PHE N N 15 113.925 0.031 . 1 . . . . . 105 PHE N . 51696 2 479 . 2 . 2 110 110 TYR H H 1 6.082 0.002 . 1 . . . . . 106 TYR H . 51696 2 480 . 2 . 2 110 110 TYR C C 13 173.668 0.034 . 1 . . . . . 106 TYR CO . 51696 2 481 . 2 . 2 110 110 TYR CA C 13 55.612 0.027 . 1 . . . . . 106 TYR CA . 51696 2 482 . 2 . 2 110 110 TYR CB C 13 37.18 0.024 . 1 . . . . . 106 TYR CB . 51696 2 483 . 2 . 2 110 110 TYR N N 15 105.342 0.044 . 1 . . . . . 106 TYR N . 51696 2 484 . 2 . 2 111 111 PHE H H 1 5.682 0.005 . 1 . . . . . 107 PHE H . 51696 2 485 . 2 . 2 111 111 PHE C C 13 178.365 0.03 . 1 . . . . . 107 PHE CO . 51696 2 486 . 2 . 2 111 111 PHE CA C 13 56.407 0.031 . 1 . . . . . 107 PHE CA . 51696 2 487 . 2 . 2 111 111 PHE CB C 13 38.13 0.035 . 1 . . . . . 107 PHE CB . 51696 2 488 . 2 . 2 111 111 PHE N N 15 117.23 0.056 . 1 . . . . . 107 PHE N . 51696 2 489 . 2 . 2 112 112 ASP H H 1 9.246 0.003 . 1 . . . . . 108 ASP H . 51696 2 490 . 2 . 2 112 112 ASP C C 13 174.948 0.033 . 1 . . . . . 108 ASP CO . 51696 2 491 . 2 . 2 112 112 ASP CA C 13 55.17 0.025 . 1 . . . . . 108 ASP CA . 51696 2 492 . 2 . 2 112 112 ASP CB C 13 40.487 0.022 . 1 . . . . . 108 ASP CB . 51696 2 493 . 2 . 2 112 112 ASP N N 15 127.29 0.065 . 1 . . . . . 108 ASP N . 51696 2 494 . 2 . 2 113 113 VAL H H 1 7.242 0.003 . 1 . . . . . 109 VAL H . 51696 2 495 . 2 . 2 113 113 VAL C C 13 173.801 0.031 . 1 . . . . . 109 VAL CO . 51696 2 496 . 2 . 2 113 113 VAL CA C 13 61.726 0.041 . 1 . . . . . 109 VAL CA . 51696 2 497 . 2 . 2 113 113 VAL CB C 13 33.361 0.054 . 1 . . . . . 109 VAL CB . 51696 2 498 . 2 . 2 113 113 VAL N N 15 121.816 0.042 . 1 . . . . . 109 VAL N . 51696 2 499 . 2 . 2 114 114 TRP H H 1 8.808 0.004 . 1 . . . . . 110 TRP H . 51696 2 500 . 2 . 2 114 114 TRP C C 13 178.399 0.039 . 1 . . . . . 110 TRP CO . 51696 2 501 . 2 . 2 114 114 TRP CA C 13 56.132 0.04 . 1 . . . . . 110 TRP CA . 51696 2 502 . 2 . 2 114 114 TRP CB C 13 31.142 0.104 . 1 . . . . . 110 TRP CB . 51696 2 503 . 2 . 2 114 114 TRP N N 15 128.203 0.083 . 1 . . . . . 110 TRP N . 51696 2 504 . 2 . 2 115 115 GLY H H 1 8.846 0.003 . 1 . . . . . 111 GLY H . 51696 2 505 . 2 . 2 115 115 GLY C C 13 173.899 0.014 . 1 . . . . . 111 GLY CO . 51696 2 506 . 2 . 2 115 115 GLY CA C 13 45.238 0.049 . 1 . . . . . 111 GLY CA . 51696 2 507 . 2 . 2 115 115 GLY N N 15 110.265 0.078 . 1 . . . . . 111 GLY N . 51696 2 508 . 2 . 2 116 116 GLN H H 1 8.022 0.004 . 1 . . . . . 112 GLN H . 51696 2 509 . 2 . 2 116 116 GLN C C 13 178.3 0.014 . 1 . . . . . 112 GLN CO . 51696 2 510 . 2 . 2 116 116 GLN CA C 13 56.756 0.055 . 1 . . . . . 112 GLN CA . 51696 2 511 . 2 . 2 116 116 GLN CB C 13 29.17 0.019 . 1 . . . . . 112 GLN CB . 51696 2 512 . 2 . 2 116 116 GLN N N 15 114.784 0.046 . 1 . . . . . 112 GLN N . 51696 2 513 . 2 . 2 117 117 GLY H H 1 9.578 0.004 . 1 . . . . . 113 GLY H . 51696 2 514 . 2 . 2 117 117 GLY C C 13 173.879 0.012 . 1 . . . . . 113 GLY CO . 51696 2 515 . 2 . 2 117 117 GLY CA C 13 43.995 0.032 . 1 . . . . . 113 GLY CA . 51696 2 516 . 2 . 2 117 117 GLY N N 15 111.991 0.047 . 1 . . . . . 113 GLY N . 51696 2 517 . 2 . 2 118 118 THR H H 1 8.437 0.003 . 1 . . . . . 114 THR H . 51696 2 518 . 2 . 2 118 118 THR C C 13 172.89 0.106 . 1 . . . . . 114 THR CO . 51696 2 519 . 2 . 2 118 118 THR CA C 13 60.293 0.041 . 1 . . . . . 114 THR CA . 51696 2 520 . 2 . 2 118 118 THR CB C 13 71.126 0.019 . 1 . . . . . 114 THR CB . 51696 2 521 . 2 . 2 118 118 THR N N 15 117.058 0.047 . 1 . . . . . 114 THR N . 51696 2 522 . 2 . 2 119 119 THR H H 1 8.597 0.003 . 1 . . . . . 115 THR H . 51696 2 523 . 2 . 2 119 119 THR C C 13 173.97 0.014 . 1 . . . . . 115 THR CO . 51696 2 524 . 2 . 2 119 119 THR CA C 13 63.676 0.034 . 1 . . . . . 115 THR CA . 51696 2 525 . 2 . 2 119 119 THR CB C 13 69.301 0.027 . 1 . . . . . 115 THR CB . 51696 2 526 . 2 . 2 119 119 THR N N 15 127.866 0.075 . 1 . . . . . 115 THR N . 51696 2 527 . 2 . 2 120 120 VAL H H 1 8.798 0.003 . 1 . . . . . 116 VAL H . 51696 2 528 . 2 . 2 120 120 VAL C C 13 174.824 0.003 . 1 . . . . . 116 VAL CO . 51696 2 529 . 2 . 2 120 120 VAL CA C 13 61.212 0.046 . 1 . . . . . 116 VAL CA . 51696 2 530 . 2 . 2 120 120 VAL CB C 13 34.218 0.083 . 1 . . . . . 116 VAL CB . 51696 2 531 . 2 . 2 120 120 VAL N N 15 129.625 0.047 . 1 . . . . . 116 VAL N . 51696 2 532 . 2 . 2 121 121 THR H H 1 8.218 0.002 . 1 . . . . . 117 THR H . 51696 2 533 . 2 . 2 121 121 THR C C 13 173.095 0.008 . 1 . . . . . 117 THR CO . 51696 2 534 . 2 . 2 121 121 THR CA C 13 61.934 0.047 . 1 . . . . . 117 THR CA . 51696 2 535 . 2 . 2 121 121 THR CB C 13 69.662 0.03 . 1 . . . . . 117 THR CB . 51696 2 536 . 2 . 2 121 121 THR N N 15 123.821 0.053 . 1 . . . . . 117 THR N . 51696 2 537 . 2 . 2 122 122 VAL H H 1 8.05 0.003 . 1 . . . . . 118 VAL H . 51696 2 538 . 2 . 2 122 122 VAL C C 13 176.135 0.005 . 1 . . . . . 118 VAL CO . 51696 2 539 . 2 . 2 122 122 VAL CA C 13 59.437 0.034 . 1 . . . . . 118 VAL CA . 51696 2 540 . 2 . 2 122 122 VAL CB C 13 30.422 0.036 . 1 . . . . . 118 VAL CB . 51696 2 541 . 2 . 2 122 122 VAL N N 15 127.741 0.046 . 1 . . . . . 118 VAL N . 51696 2 542 . 2 . 2 123 123 SER H H 1 8.348 0.003 . 1 . . . . . 119 SER H . 51696 2 543 . 2 . 2 123 123 SER C C 13 174.341 0.022 . 1 . . . . . 119 SER CO . 51696 2 544 . 2 . 2 123 123 SER CA C 13 56.604 0.032 . 1 . . . . . 119 SER CA . 51696 2 545 . 2 . 2 123 123 SER CB C 13 63.576 0.014 . 1 . . . . . 119 SER CB . 51696 2 546 . 2 . 2 123 123 SER N N 15 119.333 0.047 . 1 . . . . . 119 SER N . 51696 2 547 . 2 . 2 124 124 SER H H 1 8.812 0.006 . 1 . . . . . 120 SER H . 51696 2 548 . 2 . 2 124 124 SER C C 13 174.355 0 . 1 . . . . . 120 SER CO . 51696 2 549 . 2 . 2 124 124 SER CA C 13 58.874 0.065 . 1 . . . . . 120 SER CA . 51696 2 550 . 2 . 2 124 124 SER CB C 13 63.126 0.025 . 1 . . . . . 120 SER CB . 51696 2 551 . 2 . 2 124 124 SER N N 15 122.709 0.037 . 1 . . . . . 120 SER N . 51696 2 552 . 2 . 2 125 125 ALA H H 1 8.406 0.003 . 1 . . . . . 121 ALA H . 51696 2 553 . 2 . 2 125 125 ALA C C 13 176.471 0.028 . 1 . . . . . 121 ALA CO . 51696 2 554 . 2 . 2 125 125 ALA CA C 13 51.852 0.03 . 1 . . . . . 121 ALA CA . 51696 2 555 . 2 . 2 125 125 ALA CB C 13 17.954 0.043 . 1 . . . . . 121 ALA CB . 51696 2 556 . 2 . 2 125 125 ALA N N 15 127.002 0.076 . 1 . . . . . 121 ALA N . 51696 2 557 . 2 . 2 126 126 SER H H 1 7.629 0.003 . 1 . . . . . 122 SER H . 51696 2 558 . 2 . 2 126 126 SER C C 13 174.412 0.016 . 1 . . . . . 122 SER CO . 51696 2 559 . 2 . 2 126 126 SER CA C 13 57.154 0.025 . 1 . . . . . 122 SER CA . 51696 2 560 . 2 . 2 126 126 SER CB C 13 64.361 0.012 . 1 . . . . . 122 SER CB . 51696 2 561 . 2 . 2 126 126 SER N N 15 113.414 0.047 . 1 . . . . . 122 SER N . 51696 2 562 . 2 . 2 127 127 THR H H 1 8.108 0.002 . 1 . . . . . 123 THR H . 51696 2 563 . 2 . 2 127 127 THR C C 13 175.153 0.008 . 1 . . . . . 123 THR CO . 51696 2 564 . 2 . 2 127 127 THR CA C 13 63.669 0.028 . 1 . . . . . 123 THR CA . 51696 2 565 . 2 . 2 127 127 THR CB C 13 68.778 0.019 . 1 . . . . . 123 THR CB . 51696 2 566 . 2 . 2 127 127 THR N N 15 117.338 0.043 . 1 . . . . . 123 THR N . 51696 2 567 . 2 . 2 128 128 LYS H H 1 9.489 0.004 . 1 . . . . . 124 LYS H . 51696 2 568 . 2 . 2 128 128 LYS C C 13 175.909 0.023 . 1 . . . . . 124 LYS CO . 51696 2 569 . 2 . 2 128 128 LYS CA C 13 55.828 0.022 . 1 . . . . . 124 LYS CA . 51696 2 570 . 2 . 2 128 128 LYS CB C 13 35.426 0.061 . 1 . . . . . 124 LYS CB . 51696 2 571 . 2 . 2 128 128 LYS N N 15 128.822 0.042 . 1 . . . . . 124 LYS N . 51696 2 572 . 2 . 2 129 129 GLY H H 1 8.991 0.003 . 1 . . . . . 125 GLY H . 51696 2 573 . 2 . 2 129 129 GLY C C 13 171.577 0 . 1 . . . . . 125 GLY CO . 51696 2 574 . 2 . 2 129 129 GLY CA C 13 44.039 0.019 . 1 . . . . . 125 GLY CA . 51696 2 575 . 2 . 2 129 129 GLY N N 15 114.129 0.052 . 1 . . . . . 125 GLY N . 51696 2 576 . 2 . 2 130 130 PRO C C 13 177.851 0.013 . 1 . . . . . 126 PRO CO . 51696 2 577 . 2 . 2 130 130 PRO CA C 13 61.856 0.057 . 1 . . . . . 126 PRO CA . 51696 2 578 . 2 . 2 130 130 PRO CB C 13 32.276 0.025 . 1 . . . . . 126 PRO CB . 51696 2 579 . 2 . 2 131 131 SER H H 1 8.459 0.003 . 1 . . . . . 127 SER H . 51696 2 580 . 2 . 2 131 131 SER C C 13 172.439 0.021 . 1 . . . . . 127 SER CO . 51696 2 581 . 2 . 2 131 131 SER CA C 13 57.814 0.056 . 1 . . . . . 127 SER CA . 51696 2 582 . 2 . 2 131 131 SER CB C 13 64.458 0.024 . 1 . . . . . 127 SER CB . 51696 2 583 . 2 . 2 131 131 SER N N 15 116.051 0.043 . 1 . . . . . 127 SER N . 51696 2 584 . 2 . 2 132 132 VAL H H 1 7.951 0.004 . 1 . . . . . 128 VAL H . 51696 2 585 . 2 . 2 132 132 VAL C C 13 174.283 0.005 . 1 . . . . . 128 VAL CO . 51696 2 586 . 2 . 2 132 132 VAL CA C 13 60.298 0.062 . 1 . . . . . 128 VAL CA . 51696 2 587 . 2 . 2 132 132 VAL CB C 13 32.432 0.108 . 1 . . . . . 128 VAL CB . 51696 2 588 . 2 . 2 132 132 VAL N N 15 123.454 0.067 . 1 . . . . . 128 VAL N . 51696 2 589 . 2 . 2 133 133 PHE H H 1 9.174 0.002 . 1 . . . . . 129 PHE H . 51696 2 590 . 2 . 2 133 133 PHE C C 13 173.643 0 . 1 . . . . . 129 PHE CO . 51696 2 591 . 2 . 2 133 133 PHE CA C 13 52.52 0 . 1 . . . . . 129 PHE CA . 51696 2 592 . 2 . 2 133 133 PHE CB C 13 40.367 0 . 1 . . . . . 129 PHE CB . 51696 2 593 . 2 . 2 133 133 PHE N N 15 125.476 0.047 . 1 . . . . . 129 PHE N . 51696 2 594 . 2 . 2 134 134 PRO C C 13 176.692 0.022 . 1 . . . . . 130 PRO CO . 51696 2 595 . 2 . 2 134 134 PRO CA C 13 62.659 0.044 . 1 . . . . . 130 PRO CA . 51696 2 596 . 2 . 2 134 134 PRO CB C 13 32.841 0.034 . 1 . . . . . 130 PRO CB . 51696 2 597 . 2 . 2 135 135 LEU H H 1 8.38 0.002 . 1 . . . . . 131 LEU H . 51696 2 598 . 2 . 2 135 135 LEU C C 13 174.395 0.023 . 1 . . . . . 131 LEU CO . 51696 2 599 . 2 . 2 135 135 LEU CA C 13 52.741 0.083 . 1 . . . . . 131 LEU CA . 51696 2 600 . 2 . 2 135 135 LEU CB C 13 37.945 0.032 . 1 . . . . . 131 LEU CB . 51696 2 601 . 2 . 2 135 135 LEU N N 15 124.875 0.052 . 1 . . . . . 131 LEU N . 51696 2 602 . 2 . 2 136 136 ALA H H 1 7.996 0.002 . 1 . . . . . 132 ALA H . 51696 2 603 . 2 . 2 136 136 ALA C C 13 175.617 0 . 1 . . . . . 132 ALA CO . 51696 2 604 . 2 . 2 136 136 ALA CA C 13 49.569 0.023 . 1 . . . . . 132 ALA CA . 51696 2 605 . 2 . 2 136 136 ALA CB C 13 18.863 0 . 1 . . . . . 132 ALA CB . 51696 2 606 . 2 . 2 136 136 ALA N N 15 124.602 0.039 . 1 . . . . . 132 ALA N . 51696 2 607 . 2 . 2 139 139 SER H H 1 7.488 0.002 . 1 . . . . . 135 SER H . 51696 2 608 . 2 . 2 139 139 SER CA C 13 60.413 0.041 . 1 . . . . . 135 SER CA . 51696 2 609 . 2 . 2 139 139 SER CB C 13 62.565 0.047 . 1 . . . . . 135 SER CB . 51696 2 610 . 2 . 2 139 139 SER N N 15 121.316 0.019 . 1 . . . . . 135 SER N . 51696 2 611 . 2 . 2 140 140 LYS H H 1 8.259 0.004 . 1 . . . . . 136 LYS H . 51696 2 612 . 2 . 2 140 140 LYS C C 13 177.48 0.074 . 1 . . . . . 136 LYS CO . 51696 2 613 . 2 . 2 140 140 LYS CA C 13 56.278 0.052 . 1 . . . . . 136 LYS CA . 51696 2 614 . 2 . 2 140 140 LYS CB C 13 31.347 0.021 . 1 . . . . . 136 LYS CB . 51696 2 615 . 2 . 2 140 140 LYS N N 15 120.873 0.097 . 1 . . . . . 136 LYS N . 51696 2 616 . 2 . 2 141 141 SER H H 1 8.059 0.003 . 1 . . . . . 137 SER H . 51696 2 617 . 2 . 2 141 141 SER C C 13 174.273 0.016 . 1 . . . . . 137 SER CO . 51696 2 618 . 2 . 2 141 141 SER CA C 13 57.641 0.052 . 1 . . . . . 137 SER CA . 51696 2 619 . 2 . 2 141 141 SER CB C 13 63.378 0.021 . 1 . . . . . 137 SER CB . 51696 2 620 . 2 . 2 141 141 SER N N 15 115.93 0.04 . 1 . . . . . 137 SER N . 51696 2 621 . 2 . 2 142 142 THR H H 1 7.586 0.003 . 1 . . . . . 138 THR H . 51696 2 622 . 2 . 2 142 142 THR C C 13 175.055 0.01 . 1 . . . . . 138 THR CO . 51696 2 623 . 2 . 2 142 142 THR CA C 13 61.368 0.101 . 1 . . . . . 138 THR CA . 51696 2 624 . 2 . 2 142 142 THR CB C 13 69.835 0.029 . 1 . . . . . 138 THR CB . 51696 2 625 . 2 . 2 142 142 THR N N 15 115.218 0.059 . 1 . . . . . 138 THR N . 51696 2 626 . 2 . 2 143 143 SER H H 1 8.579 0.004 . 1 . . . . . 139 SER H . 51696 2 627 . 2 . 2 143 143 SER C C 13 172.074 0 . 1 . . . . . 139 SER CO . 51696 2 628 . 2 . 2 143 143 SER CA C 13 57.711 0 . 1 . . . . . 139 SER CA . 51696 2 629 . 2 . 2 143 143 SER CB C 13 63.263 0 . 1 . . . . . 139 SER CB . 51696 2 630 . 2 . 2 143 143 SER N N 15 119.092 0.08 . 1 . . . . . 139 SER N . 51696 2 631 . 2 . 2 145 145 GLY C C 13 175.425 0.003 . 1 . . . . . 141 GLY CO . 51696 2 632 . 2 . 2 145 145 GLY CA C 13 45.35 0.025 . 1 . . . . . 141 GLY CA . 51696 2 633 . 2 . 2 146 146 THR H H 1 8.059 0.006 . 1 . . . . . 142 THR H . 51696 2 634 . 2 . 2 146 146 THR C C 13 172.567 0.012 . 1 . . . . . 142 THR CO . 51696 2 635 . 2 . 2 146 146 THR CA C 13 61.614 0.038 . 1 . . . . . 142 THR CA . 51696 2 636 . 2 . 2 146 146 THR CB C 13 70.868 0.059 . 1 . . . . . 142 THR CB . 51696 2 637 . 2 . 2 146 146 THR N N 15 118.697 0.052 . 1 . . . . . 142 THR N . 51696 2 638 . 2 . 2 147 147 ALA H H 1 9.301 0.004 . 1 . . . . . 143 ALA H . 51696 2 639 . 2 . 2 147 147 ALA C C 13 174.637 0.014 . 1 . . . . . 143 ALA CO . 51696 2 640 . 2 . 2 147 147 ALA CA C 13 49.719 0.034 . 1 . . . . . 143 ALA CA . 51696 2 641 . 2 . 2 147 147 ALA CB C 13 21.969 0.006 . 1 . . . . . 143 ALA CB . 51696 2 642 . 2 . 2 147 147 ALA N N 15 127.736 0.049 . 1 . . . . . 143 ALA N . 51696 2 643 . 2 . 2 148 148 ALA H H 1 7.395 0.003 . 1 . . . . . 144 ALA H . 51696 2 644 . 2 . 2 148 148 ALA C C 13 175.481 0.025 . 1 . . . . . 144 ALA CO . 51696 2 645 . 2 . 2 148 148 ALA CA C 13 49.323 0.074 . 1 . . . . . 144 ALA CA . 51696 2 646 . 2 . 2 148 148 ALA CB C 13 20.068 0.036 . 1 . . . . . 144 ALA CB . 51696 2 647 . 2 . 2 148 148 ALA N N 15 120.725 0.035 . 1 . . . . . 144 ALA N . 51696 2 648 . 2 . 2 149 149 LEU H H 1 8.35 0.002 . 1 . . . . . 145 LEU H . 51696 2 649 . 2 . 2 149 149 LEU C C 13 175.476 0.018 . 1 . . . . . 145 LEU CO . 51696 2 650 . 2 . 2 149 149 LEU CA C 13 53.386 0.029 . 1 . . . . . 145 LEU CA . 51696 2 651 . 2 . 2 149 149 LEU CB C 13 43.725 0.09 . 1 . . . . . 145 LEU CB . 51696 2 652 . 2 . 2 149 149 LEU N N 15 117.451 0.052 . 1 . . . . . 145 LEU N . 51696 2 653 . 2 . 2 150 150 GLY H H 1 8.859 0.002 . 1 . . . . . 146 GLY H . 51696 2 654 . 2 . 2 150 150 GLY C C 13 172.314 0.047 . 1 . . . . . 146 GLY CO . 51696 2 655 . 2 . 2 150 150 GLY CA C 13 48.411 0.014 . 1 . . . . . 146 GLY CA . 51696 2 656 . 2 . 2 150 150 GLY N N 15 105.354 0.054 . 1 . . . . . 146 GLY N . 51696 2 657 . 2 . 2 151 151 CYS H H 1 9.507 0.002 . 1 . . . . . 147 CYS H . 51696 2 658 . 2 . 2 151 151 CYS C C 13 171.689 0.039 . 1 . . . . . 147 CYS CO . 51696 2 659 . 2 . 2 151 151 CYS CA C 13 54.143 0.023 . 1 . . . . . 147 CYS CA . 51696 2 660 . 2 . 2 151 151 CYS CB C 13 46.216 0.016 . 1 . . . . . 147 CYS CB . 51696 2 661 . 2 . 2 151 151 CYS N N 15 117.943 0.046 . 1 . . . . . 147 CYS N . 51696 2 662 . 2 . 2 152 152 LEU H H 1 9.418 0.003 . 1 . . . . . 148 LEU H . 51696 2 663 . 2 . 2 152 152 LEU C C 13 174.239 0.015 . 1 . . . . . 148 LEU CO . 51696 2 664 . 2 . 2 152 152 LEU CA C 13 54.026 0.041 . 1 . . . . . 148 LEU CA . 51696 2 665 . 2 . 2 152 152 LEU CB C 13 42.952 0.011 . 1 . . . . . 148 LEU CB . 51696 2 666 . 2 . 2 152 152 LEU N N 15 127.565 0.052 . 1 . . . . . 148 LEU N . 51696 2 667 . 2 . 2 153 153 VAL H H 1 9.367 0.004 . 1 . . . . . 149 VAL H . 51696 2 668 . 2 . 2 153 153 VAL C C 13 174.126 0.003 . 1 . . . . . 149 VAL CO . 51696 2 669 . 2 . 2 153 153 VAL CA C 13 61.519 0.063 . 1 . . . . . 149 VAL CA . 51696 2 670 . 2 . 2 153 153 VAL CB C 13 29.983 0.107 . 1 . . . . . 149 VAL CB . 51696 2 671 . 2 . 2 153 153 VAL N N 15 129.711 0.04 . 1 . . . . . 149 VAL N . 51696 2 672 . 2 . 2 154 154 LYS H H 1 8.821 0.003 . 1 . . . . . 150 LYS H . 51696 2 673 . 2 . 2 154 154 LYS C C 13 175.212 0.016 . 1 . . . . . 150 LYS CO . 51696 2 674 . 2 . 2 154 154 LYS CA C 13 55.764 0.086 . 1 . . . . . 150 LYS CA . 51696 2 675 . 2 . 2 154 154 LYS CB C 13 36.64 0.029 . 1 . . . . . 150 LYS CB . 51696 2 676 . 2 . 2 154 154 LYS N N 15 126.822 0.049 . 1 . . . . . 150 LYS N . 51696 2 677 . 2 . 2 155 155 ASP H H 1 8.048 0.003 . 1 . . . . . 151 ASP H . 51696 2 678 . 2 . 2 155 155 ASP C C 13 172.7 0.017 . 1 . . . . . 151 ASP CO . 51696 2 679 . 2 . 2 155 155 ASP CA C 13 55.431 0.056 . 1 . . . . . 151 ASP CA . 51696 2 680 . 2 . 2 155 155 ASP CB C 13 36.431 0.103 . 1 . . . . . 151 ASP CB . 51696 2 681 . 2 . 2 155 155 ASP N N 15 120.258 0.056 . 1 . . . . . 151 ASP N . 51696 2 682 . 2 . 2 156 156 TYR H H 1 7.701 0.003 . 1 . . . . . 152 TYR H . 51696 2 683 . 2 . 2 156 156 TYR C C 13 174.559 0.027 . 1 . . . . . 152 TYR CO . 51696 2 684 . 2 . 2 156 156 TYR CA C 13 54.179 0.046 . 1 . . . . . 152 TYR CA . 51696 2 685 . 2 . 2 156 156 TYR CB C 13 41.498 0.015 . 1 . . . . . 152 TYR CB . 51696 2 686 . 2 . 2 156 156 TYR N N 15 113.747 0.043 . 1 . . . . . 152 TYR N . 51696 2 687 . 2 . 2 157 157 PHE H H 1 9.441 0.003 . 1 . . . . . 153 PHE H . 51696 2 688 . 2 . 2 157 157 PHE C C 13 173.997 0 . 1 . . . . . 153 PHE CO . 51696 2 689 . 2 . 2 157 157 PHE CA C 13 57.74 0.024 . 1 . . . . . 153 PHE CA . 51696 2 690 . 2 . 2 157 157 PHE CB C 13 43.157 0 . 1 . . . . . 153 PHE CB . 51696 2 691 . 2 . 2 157 157 PHE N N 15 120.625 0.056 . 1 . . . . . 153 PHE N . 51696 2 692 . 2 . 2 160 160 PRO C C 13 176.805 0.014 . 1 . . . . . 156 PRO CO . 51696 2 693 . 2 . 2 160 160 PRO CA C 13 61.914 0.039 . 1 . . . . . 156 PRO CA . 51696 2 694 . 2 . 2 160 160 PRO CB C 13 34.169 0 . 1 . . . . . 156 PRO CB . 51696 2 695 . 2 . 2 161 161 VAL H H 1 8.024 0.005 . 1 . . . . . 157 VAL H . 51696 2 696 . 2 . 2 161 161 VAL C C 13 175.129 0.012 . 1 . . . . . 157 VAL CO . 51696 2 697 . 2 . 2 161 161 VAL CA C 13 59.861 0.017 . 1 . . . . . 157 VAL CA . 51696 2 698 . 2 . 2 161 161 VAL CB C 13 34.291 0.074 . 1 . . . . . 157 VAL CB . 51696 2 699 . 2 . 2 161 161 VAL N N 15 116.272 0.072 . 1 . . . . . 157 VAL N . 51696 2 700 . 2 . 2 162 162 THR H H 1 8.358 0.002 . 1 . . . . . 158 THR H . 51696 2 701 . 2 . 2 162 162 THR C C 13 173.87 0.195 . 1 . . . . . 158 THR CO . 51696 2 702 . 2 . 2 162 162 THR CA C 13 60.312 0.113 . 1 . . . . . 158 THR CA . 51696 2 703 . 2 . 2 162 162 THR CB C 13 70.379 0.021 . 1 . . . . . 158 THR CB . 51696 2 704 . 2 . 2 162 162 THR N N 15 117.073 0.042 . 1 . . . . . 158 THR N . 51696 2 705 . 2 . 2 163 163 VAL H H 1 8.702 0.003 . 1 . . . . . 159 VAL H . 51696 2 706 . 2 . 2 163 163 VAL C C 13 175.718 0.038 . 1 . . . . . 159 VAL CO . 51696 2 707 . 2 . 2 163 163 VAL CA C 13 60.624 0.029 . 1 . . . . . 159 VAL CA . 51696 2 708 . 2 . 2 163 163 VAL CB C 13 33.481 0.016 . 1 . . . . . 159 VAL CB . 51696 2 709 . 2 . 2 163 163 VAL N N 15 124.086 0.039 . 1 . . . . . 159 VAL N . 51696 2 710 . 2 . 2 164 164 SER H H 1 8.816 0.003 . 1 . . . . . 160 SER H . 51696 2 711 . 2 . 2 164 164 SER C C 13 171.475 0.058 . 1 . . . . . 160 SER CO . 51696 2 712 . 2 . 2 164 164 SER CA C 13 56.143 0.05 . 1 . . . . . 160 SER CA . 51696 2 713 . 2 . 2 164 164 SER CB C 13 66.305 0.006 . 1 . . . . . 160 SER CB . 51696 2 714 . 2 . 2 164 164 SER N N 15 123.126 0.068 . 1 . . . . . 160 SER N . 51696 2 715 . 2 . 2 165 165 TRP H H 1 9.199 0.004 . 1 . . . . . 161 TRP H . 51696 2 716 . 2 . 2 165 165 TRP C C 13 177.937 0.075 . 1 . . . . . 161 TRP CO . 51696 2 717 . 2 . 2 165 165 TRP CA C 13 56.125 0.085 . 1 . . . . . 161 TRP CA . 51696 2 718 . 2 . 2 165 165 TRP CB C 13 30.779 0.037 . 1 . . . . . 161 TRP CB . 51696 2 719 . 2 . 2 165 165 TRP N N 15 120.07 0.055 . 1 . . . . . 161 TRP N . 51696 2 720 . 2 . 2 166 166 ASN H H 1 10.416 0.003 . 1 . . . . . 162 ASN H . 51696 2 721 . 2 . 2 166 166 ASN C C 13 177.48 0.055 . 1 . . . . . 162 ASN CO . 51696 2 722 . 2 . 2 166 166 ASN CA C 13 53.818 0.066 . 1 . . . . . 162 ASN CA . 51696 2 723 . 2 . 2 166 166 ASN CB C 13 35.487 0.033 . 1 . . . . . 162 ASN CB . 51696 2 724 . 2 . 2 166 166 ASN N N 15 125.962 0.049 . 1 . . . . . 162 ASN N . 51696 2 725 . 2 . 2 167 167 SER H H 1 9.662 0.003 . 1 . . . . . 163 SER H . 51696 2 726 . 2 . 2 167 167 SER C C 13 175.123 0.033 . 1 . . . . . 163 SER CO . 51696 2 727 . 2 . 2 167 167 SER CA C 13 58.669 0.05 . 1 . . . . . 163 SER CA . 51696 2 728 . 2 . 2 167 167 SER CB C 13 60.88 0.019 . 1 . . . . . 163 SER CB . 51696 2 729 . 2 . 2 167 167 SER N N 15 112.317 0.043 . 1 . . . . . 163 SER N . 51696 2 730 . 2 . 2 168 168 GLY H H 1 7.782 0.002 . 1 . . . . . 164 GLY H . 51696 2 731 . 2 . 2 168 168 GLY C C 13 174.824 0.02 . 1 . . . . . 164 GLY CO . 51696 2 732 . 2 . 2 168 168 GLY CA C 13 43.95 0.046 . 1 . . . . . 164 GLY CA . 51696 2 733 . 2 . 2 168 168 GLY N N 15 106.001 0.051 . 1 . . . . . 164 GLY N . 51696 2 734 . 2 . 2 169 169 ALA H H 1 7.686 0.002 . 1 . . . . . 165 ALA H . 51696 2 735 . 2 . 2 169 169 ALA C C 13 177.862 0.016 . 1 . . . . . 165 ALA CO . 51696 2 736 . 2 . 2 169 169 ALA CA C 13 52.994 0.041 . 1 . . . . . 165 ALA CA . 51696 2 737 . 2 . 2 169 169 ALA CB C 13 18.492 0.03 . 1 . . . . . 165 ALA CB . 51696 2 738 . 2 . 2 169 169 ALA N N 15 121.31 0.039 . 1 . . . . . 165 ALA N . 51696 2 739 . 2 . 2 170 170 LEU H H 1 7.147 0.003 . 1 . . . . . 166 LEU H . 51696 2 740 . 2 . 2 170 170 LEU C C 13 174.945 0.007 . 1 . . . . . 166 LEU CO . 51696 2 741 . 2 . 2 170 170 LEU CA C 13 53.915 0.039 . 1 . . . . . 166 LEU CA . 51696 2 742 . 2 . 2 170 170 LEU CB C 13 41.677 0.032 . 1 . . . . . 166 LEU CB . 51696 2 743 . 2 . 2 170 170 LEU N N 15 119.753 0.044 . 1 . . . . . 166 LEU N . 51696 2 744 . 2 . 2 171 171 THR H H 1 8.574 0.003 . 1 . . . . . 167 THR H . 51696 2 745 . 2 . 2 171 171 THR C C 13 175.798 0.014 . 1 . . . . . 167 THR CO . 51696 2 746 . 2 . 2 171 171 THR CA C 13 61.182 0.013 . 1 . . . . . 167 THR CA . 51696 2 747 . 2 . 2 171 171 THR CB C 13 69.867 0 . 1 . . . . . 167 THR CB . 51696 2 748 . 2 . 2 171 171 THR N N 15 114.698 0.051 . 1 . . . . . 167 THR N . 51696 2 749 . 2 . 2 172 172 SER H H 1 8.044 0.004 . 1 . . . . . 168 SER H . 51696 2 750 . 2 . 2 172 172 SER C C 13 175.198 0.006 . 1 . . . . . 168 SER CO . 51696 2 751 . 2 . 2 172 172 SER CA C 13 58.325 0.029 . 1 . . . . . 168 SER CA . 51696 2 752 . 2 . 2 172 172 SER CB C 13 62.809 0.021 . 1 . . . . . 168 SER CB . 51696 2 753 . 2 . 2 172 172 SER N N 15 120.691 0.038 . 1 . . . . . 168 SER N . 51696 2 754 . 2 . 2 173 173 GLY H H 1 8.589 0.003 . 1 . . . . . 169 GLY H . 51696 2 755 . 2 . 2 173 173 GLY C C 13 173.868 0.002 . 1 . . . . . 169 GLY CO . 51696 2 756 . 2 . 2 173 173 GLY CA C 13 45.354 0.039 . 1 . . . . . 169 GLY CA . 51696 2 757 . 2 . 2 173 173 GLY N N 15 113.367 0.047 . 1 . . . . . 169 GLY N . 51696 2 758 . 2 . 2 174 174 VAL H H 1 6.9 0.002 . 1 . . . . . 170 VAL H . 51696 2 759 . 2 . 2 174 174 VAL C C 13 177.515 0.028 . 1 . . . . . 170 VAL CO . 51696 2 760 . 2 . 2 174 174 VAL CA C 13 61.333 0.052 . 1 . . . . . 170 VAL CA . 51696 2 761 . 2 . 2 174 174 VAL CB C 13 32.173 0.06 . 1 . . . . . 170 VAL CB . 51696 2 762 . 2 . 2 174 174 VAL N N 15 119.58 0.041 . 1 . . . . . 170 VAL N . 51696 2 763 . 2 . 2 175 175 HIS H H 1 9.265 0.003 . 1 . . . . . 171 HIS H . 51696 2 764 . 2 . 2 175 175 HIS C C 13 172.967 0.005 . 1 . . . . . 171 HIS CO . 51696 2 765 . 2 . 2 175 175 HIS CA C 13 54.092 0.028 . 1 . . . . . 171 HIS CA . 51696 2 766 . 2 . 2 175 175 HIS CB C 13 29.773 0.04 . 1 . . . . . 171 HIS CB . 51696 2 767 . 2 . 2 175 175 HIS N N 15 125.244 0.046 . 1 . . . . . 171 HIS N . 51696 2 768 . 2 . 2 176 176 THR H H 1 8.814 0.003 . 1 . . . . . 172 THR H . 51696 2 769 . 2 . 2 176 176 THR C C 13 174.193 0.042 . 1 . . . . . 172 THR CO . 51696 2 770 . 2 . 2 176 176 THR CA C 13 61.913 0.027 . 1 . . . . . 172 THR CA . 51696 2 771 . 2 . 2 176 176 THR CB C 13 68.175 0.049 . 1 . . . . . 172 THR CB . 51696 2 772 . 2 . 2 176 176 THR N N 15 123.997 0.048 . 1 . . . . . 172 THR N . 51696 2 773 . 2 . 2 177 177 PHE H H 1 8.614 0.003 . 1 . . . . . 173 PHE H . 51696 2 774 . 2 . 2 177 177 PHE C C 13 173.814 0 . 1 . . . . . 173 PHE CO . 51696 2 775 . 2 . 2 177 177 PHE CA C 13 58.368 0.027 . 1 . . . . . 173 PHE CA . 51696 2 776 . 2 . 2 177 177 PHE CB C 13 37.959 0 . 1 . . . . . 173 PHE CB . 51696 2 777 . 2 . 2 177 177 PHE N N 15 128.669 0.055 . 1 . . . . . 173 PHE N . 51696 2 778 . 2 . 2 178 178 PRO C C 13 177.945 0.084 . 1 . . . . . 174 PRO CO . 51696 2 779 . 2 . 2 178 178 PRO CA C 13 62.565 0.116 . 1 . . . . . 174 PRO CA . 51696 2 780 . 2 . 2 178 178 PRO CB C 13 31.265 0.065 . 1 . . . . . 174 PRO CB . 51696 2 781 . 2 . 2 179 179 ALA H H 1 9.107 0.003 . 1 . . . . . 175 ALA H . 51696 2 782 . 2 . 2 179 179 ALA C C 13 178.729 0.013 . 1 . . . . . 175 ALA CO . 51696 2 783 . 2 . 2 179 179 ALA CA C 13 52.21 0.033 . 1 . . . . . 175 ALA CA . 51696 2 784 . 2 . 2 179 179 ALA CB C 13 20.209 0.032 . 1 . . . . . 175 ALA CB . 51696 2 785 . 2 . 2 179 179 ALA N N 15 127.267 0.049 . 1 . . . . . 175 ALA N . 51696 2 786 . 2 . 2 180 180 VAL H H 1 8.736 0.002 . 1 . . . . . 176 VAL H . 51696 2 787 . 2 . 2 180 180 VAL C C 13 175.205 0 . 1 . . . . . 176 VAL CO . 51696 2 788 . 2 . 2 180 180 VAL CA C 13 59.611 0.049 . 1 . . . . . 176 VAL CA . 51696 2 789 . 2 . 2 180 180 VAL CB C 13 33.731 0.018 . 1 . . . . . 176 VAL CB . 51696 2 790 . 2 . 2 180 180 VAL N N 15 118.035 0.04 . 1 . . . . . 176 VAL N . 51696 2 791 . 2 . 2 181 181 LEU H H 1 8.596 0.003 . 1 . . . . . 177 LEU H . 51696 2 792 . 2 . 2 181 181 LEU C C 13 177.254 0.036 . 1 . . . . . 177 LEU CO . 51696 2 793 . 2 . 2 181 181 LEU CA C 13 54.1 0.069 . 1 . . . . . 177 LEU CA . 51696 2 794 . 2 . 2 181 181 LEU CB C 13 41.06 0.047 . 1 . . . . . 177 LEU CB . 51696 2 795 . 2 . 2 181 181 LEU N N 15 127.53 0.072 . 1 . . . . . 177 LEU N . 51696 2 796 . 2 . 2 182 182 GLN H H 1 8.152 0.003 . 1 . . . . . 178 GLN H . 51696 2 797 . 2 . 2 182 182 GLN C C 13 178.624 0 . 1 . . . . . 178 GLN CO . 51696 2 798 . 2 . 2 182 182 GLN CA C 13 54.906 0.01 . 1 . . . . . 178 GLN CA . 51696 2 799 . 2 . 2 182 182 GLN CB C 13 31.925 0 . 1 . . . . . 178 GLN CB . 51696 2 800 . 2 . 2 182 182 GLN N N 15 125.957 0.045 . 1 . . . . . 178 GLN N . 51696 2 801 . 2 . 2 183 183 SER H H 1 8.694 0 . 1 . . . . . 179 SER H . 51696 2 802 . 2 . 2 183 183 SER C C 13 175.178 0 . 1 . . . . . 179 SER CO . 51696 2 803 . 2 . 2 183 183 SER CA C 13 60.876 0.022 . 1 . . . . . 179 SER CA . 51696 2 804 . 2 . 2 183 183 SER CB C 13 61.915 0.003 . 1 . . . . . 179 SER CB . 51696 2 805 . 2 . 2 183 183 SER N N 15 119.307 0.045 . 1 . . . . . 179 SER N . 51696 2 806 . 2 . 2 184 184 SER H H 1 7.24 0.002 . 1 . . . . . 180 SER H . 51696 2 807 . 2 . 2 184 184 SER C C 13 175.91 0 . 1 . . . . . 180 SER CO . 51696 2 808 . 2 . 2 184 184 SER CA C 13 57.401 0.05 . 1 . . . . . 180 SER CA . 51696 2 809 . 2 . 2 184 184 SER CB C 13 63.835 0.06 . 1 . . . . . 180 SER CB . 51696 2 810 . 2 . 2 184 184 SER N N 15 113.28 0.037 . 1 . . . . . 180 SER N . 51696 2 811 . 2 . 2 185 185 GLY H H 1 8.072 0.002 . 1 . . . . . 181 GLY H . 51696 2 812 . 2 . 2 185 185 GLY C C 13 172.249 0.004 . 1 . . . . . 181 GLY CO . 51696 2 813 . 2 . 2 185 185 GLY CA C 13 44.607 0.053 . 1 . . . . . 181 GLY CA . 51696 2 814 . 2 . 2 185 185 GLY N N 15 110.122 0.053 . 1 . . . . . 181 GLY N . 51696 2 815 . 2 . 2 186 186 LEU H H 1 6.75 0.002 . 1 . . . . . 182 LEU H . 51696 2 816 . 2 . 2 186 186 LEU C C 13 177.802 0.026 . 1 . . . . . 182 LEU CO . 51696 2 817 . 2 . 2 186 186 LEU CA C 13 51.786 0.027 . 1 . . . . . 182 LEU CA . 51696 2 818 . 2 . 2 186 186 LEU CB C 13 43.062 0.022 . 1 . . . . . 182 LEU CB . 51696 2 819 . 2 . 2 186 186 LEU N N 15 115.847 0.049 . 1 . . . . . 182 LEU N . 51696 2 820 . 2 . 2 187 187 TYR H H 1 9.05 0.002 . 1 . . . . . 183 TYR H . 51696 2 821 . 2 . 2 187 187 TYR C C 13 177.118 0.011 . 1 . . . . . 183 TYR CO . 51696 2 822 . 2 . 2 187 187 TYR CA C 13 58.625 0.043 . 1 . . . . . 183 TYR CA . 51696 2 823 . 2 . 2 187 187 TYR CB C 13 39.211 0.03 . 1 . . . . . 183 TYR CB . 51696 2 824 . 2 . 2 187 187 TYR N N 15 123.33 0.046 . 1 . . . . . 183 TYR N . 51696 2 825 . 2 . 2 188 188 SER H H 1 8.311 0.003 . 1 . . . . . 184 SER H . 51696 2 826 . 2 . 2 188 188 SER C C 13 173.013 0.029 . 1 . . . . . 184 SER CO . 51696 2 827 . 2 . 2 188 188 SER CA C 13 57.247 0.049 . 1 . . . . . 184 SER CA . 51696 2 828 . 2 . 2 188 188 SER CB C 13 65.599 0.037 . 1 . . . . . 184 SER CB . 51696 2 829 . 2 . 2 188 188 SER N N 15 111.776 0.05 . 1 . . . . . 184 SER N . 51696 2 830 . 2 . 2 189 189 LEU H H 1 9.47 0.003 . 1 . . . . . 185 LEU H . 51696 2 831 . 2 . 2 189 189 LEU C C 13 174.986 0.029 . 1 . . . . . 185 LEU CO . 51696 2 832 . 2 . 2 189 189 LEU CA C 13 55.149 0.033 . 1 . . . . . 185 LEU CA . 51696 2 833 . 2 . 2 189 189 LEU CB C 13 44.315 0.012 . 1 . . . . . 185 LEU CB . 51696 2 834 . 2 . 2 189 189 LEU N N 15 125.841 0.052 . 1 . . . . . 185 LEU N . 51696 2 835 . 2 . 2 190 190 SER H H 1 7.319 0.003 . 1 . . . . . 186 SER H . 51696 2 836 . 2 . 2 190 190 SER C C 13 173.033 0.026 . 1 . . . . . 186 SER CO . 51696 2 837 . 2 . 2 190 190 SER CA C 13 57.693 0.056 . 1 . . . . . 186 SER CA . 51696 2 838 . 2 . 2 190 190 SER CB C 13 65.722 0.055 . 1 . . . . . 186 SER CB . 51696 2 839 . 2 . 2 190 190 SER N N 15 114.42 0.052 . 1 . . . . . 186 SER N . 51696 2 840 . 2 . 2 191 191 SER H H 1 8.617 0.002 . 1 . . . . . 187 SER H . 51696 2 841 . 2 . 2 191 191 SER C C 13 174.672 0.008 . 1 . . . . . 187 SER CO . 51696 2 842 . 2 . 2 191 191 SER CA C 13 56.492 0.064 . 1 . . . . . 187 SER CA . 51696 2 843 . 2 . 2 191 191 SER CB C 13 64.001 0.033 . 1 . . . . . 187 SER CB . 51696 2 844 . 2 . 2 191 191 SER N N 15 116.221 0.042 . 1 . . . . . 187 SER N . 51696 2 845 . 2 . 2 192 192 VAL H H 1 9.152 0.003 . 1 . . . . . 188 VAL H . 51696 2 846 . 2 . 2 192 192 VAL C C 13 173.32 0.027 . 1 . . . . . 188 VAL CO . 51696 2 847 . 2 . 2 192 192 VAL CA C 13 58.632 0.055 . 1 . . . . . 188 VAL CA . 51696 2 848 . 2 . 2 192 192 VAL CB C 13 35.205 0.015 . 1 . . . . . 188 VAL CB . 51696 2 849 . 2 . 2 192 192 VAL N N 15 123.255 0.024 . 1 . . . . . 188 VAL N . 51696 2 850 . 2 . 2 193 193 VAL H H 1 8.899 0.002 . 1 . . . . . 189 VAL H . 51696 2 851 . 2 . 2 193 193 VAL C C 13 174.531 0.077 . 1 . . . . . 189 VAL CO . 51696 2 852 . 2 . 2 193 193 VAL CA C 13 58.722 0.08 . 1 . . . . . 189 VAL CA . 51696 2 853 . 2 . 2 193 193 VAL CB C 13 33.386 0.065 . 1 . . . . . 189 VAL CB . 51696 2 854 . 2 . 2 193 193 VAL N N 15 121.276 0.052 . 1 . . . . . 189 VAL N . 51696 2 855 . 2 . 2 194 194 THR H H 1 7.209 0.006 . 1 . . . . . 190 THR H . 51696 2 856 . 2 . 2 194 194 THR C C 13 174.75 0.011 . 1 . . . . . 190 THR CO . 51696 2 857 . 2 . 2 194 194 THR CA C 13 58.498 0.073 . 1 . . . . . 190 THR CA . 51696 2 858 . 2 . 2 194 194 THR CB C 13 69.33 0.011 . 1 . . . . . 190 THR CB . 51696 2 859 . 2 . 2 194 194 THR N N 15 114.863 0.055 . 1 . . . . . 190 THR N . 51696 2 860 . 2 . 2 195 195 VAL H H 1 8.628 0.002 . 1 . . . . . 191 VAL H . 51696 2 861 . 2 . 2 195 195 VAL C C 13 173.044 0 . 1 . . . . . 191 VAL CO . 51696 2 862 . 2 . 2 195 195 VAL CA C 13 57.027 0.011 . 1 . . . . . 191 VAL CA . 51696 2 863 . 2 . 2 195 195 VAL CB C 13 32.726 0 . 1 . . . . . 191 VAL CB . 51696 2 864 . 2 . 2 195 195 VAL N N 15 117.6 0.035 . 1 . . . . . 191 VAL N . 51696 2 865 . 2 . 2 198 198 SER C C 13 176.107 0.003 . 1 . . . . . 194 SER CO . 51696 2 866 . 2 . 2 198 198 SER CA C 13 59.805 0.084 . 1 . . . . . 194 SER CA . 51696 2 867 . 2 . 2 198 198 SER CB C 13 62.081 0.02 . 1 . . . . . 194 SER CB . 51696 2 868 . 2 . 2 199 199 SER H H 1 7.825 0.003 . 1 . . . . . 195 SER H . 51696 2 869 . 2 . 2 199 199 SER C C 13 175.829 0.041 . 1 . . . . . 195 SER CO . 51696 2 870 . 2 . 2 199 199 SER CA C 13 58.978 0.039 . 1 . . . . . 195 SER CA . 51696 2 871 . 2 . 2 199 199 SER CB C 13 64.181 0.027 . 1 . . . . . 195 SER CB . 51696 2 872 . 2 . 2 199 199 SER N N 15 116.77 0.051 . 1 . . . . . 195 SER N . 51696 2 873 . 2 . 2 200 200 LEU H H 1 7.368 0.002 . 1 . . . . . 196 LEU H . 51696 2 874 . 2 . 2 200 200 LEU C C 13 178.787 0.032 . 1 . . . . . 196 LEU CO . 51696 2 875 . 2 . 2 200 200 LEU CA C 13 56.692 0.019 . 1 . . . . . 196 LEU CA . 51696 2 876 . 2 . 2 200 200 LEU CB C 13 40.39 0.028 . 1 . . . . . 196 LEU CB . 51696 2 877 . 2 . 2 200 200 LEU N N 15 122.567 0.062 . 1 . . . . . 196 LEU N . 51696 2 878 . 2 . 2 201 201 GLY H H 1 8.648 0.006 . 1 . . . . . 197 GLY H . 51696 2 879 . 2 . 2 201 201 GLY C C 13 175.363 0.041 . 1 . . . . . 197 GLY CO . 51696 2 880 . 2 . 2 201 201 GLY CA C 13 45.027 0.039 . 1 . . . . . 197 GLY CA . 51696 2 881 . 2 . 2 201 201 GLY N N 15 107.18 0.05 . 1 . . . . . 197 GLY N . 51696 2 882 . 2 . 2 202 202 THR H H 1 7.451 0.003 . 1 . . . . . 198 THR H . 51696 2 883 . 2 . 2 202 202 THR C C 13 174.478 0.066 . 1 . . . . . 198 THR CO . 51696 2 884 . 2 . 2 202 202 THR CA C 13 61.895 0.035 . 1 . . . . . 198 THR CA . 51696 2 885 . 2 . 2 202 202 THR CB C 13 69.782 0.001 . 1 . . . . . 198 THR CB . 51696 2 886 . 2 . 2 202 202 THR N N 15 110.03 0.041 . 1 . . . . . 198 THR N . 51696 2 887 . 2 . 2 203 203 GLN H H 1 7.812 0.003 . 1 . . . . . 199 GLN H . 51696 2 888 . 2 . 2 203 203 GLN C C 13 174.37 0.019 . 1 . . . . . 199 GLN CO . 51696 2 889 . 2 . 2 203 203 GLN CA C 13 53.942 0.03 . 1 . . . . . 199 GLN CA . 51696 2 890 . 2 . 2 203 203 GLN CB C 13 30.021 0.038 . 1 . . . . . 199 GLN CB . 51696 2 891 . 2 . 2 203 203 GLN N N 15 122.084 0.063 . 1 . . . . . 199 GLN N . 51696 2 892 . 2 . 2 204 204 THR H H 1 7.956 0.002 . 1 . . . . . 200 THR H . 51696 2 893 . 2 . 2 204 204 THR C C 13 173.78 0.021 . 1 . . . . . 200 THR CO . 51696 2 894 . 2 . 2 204 204 THR CA C 13 61.637 0.04 . 1 . . . . . 200 THR CA . 51696 2 895 . 2 . 2 204 204 THR CB C 13 69.671 0.018 . 1 . . . . . 200 THR CB . 51696 2 896 . 2 . 2 204 204 THR N N 15 118.603 0.038 . 1 . . . . . 200 THR N . 51696 2 897 . 2 . 2 205 205 TYR H H 1 9.087 0.003 . 1 . . . . . 201 TYR H . 51696 2 898 . 2 . 2 205 205 TYR C C 13 174.306 0.033 . 1 . . . . . 201 TYR CO . 51696 2 899 . 2 . 2 205 205 TYR CA C 13 58.162 0.054 . 1 . . . . . 201 TYR CA . 51696 2 900 . 2 . 2 205 205 TYR CB C 13 40.144 0.035 . 1 . . . . . 201 TYR CB . 51696 2 901 . 2 . 2 205 205 TYR N N 15 126.69 0.05 . 1 . . . . . 201 TYR N . 51696 2 902 . 2 . 2 206 206 ILE H H 1 8.909 0.003 . 1 . . . . . 202 ILE H . 51696 2 903 . 2 . 2 206 206 ILE C C 13 175.055 0.061 . 1 . . . . . 202 ILE CO . 51696 2 904 . 2 . 2 206 206 ILE CA C 13 58.793 0.068 . 1 . . . . . 202 ILE CA . 51696 2 905 . 2 . 2 206 206 ILE CB C 13 41.451 0.043 . 1 . . . . . 202 ILE CB . 51696 2 906 . 2 . 2 206 206 ILE N N 15 124.156 0.069 . 1 . . . . . 202 ILE N . 51696 2 907 . 2 . 2 207 207 CYS H H 1 8.611 0.002 . 1 . . . . . 203 CYS H . 51696 2 908 . 2 . 2 207 207 CYS C C 13 172.631 0.053 . 1 . . . . . 203 CYS CO . 51696 2 909 . 2 . 2 207 207 CYS CA C 13 52.063 0.058 . 1 . . . . . 203 CYS CA . 51696 2 910 . 2 . 2 207 207 CYS CB C 13 42.697 0.034 . 1 . . . . . 203 CYS CB . 51696 2 911 . 2 . 2 207 207 CYS N N 15 123.483 0.065 . 1 . . . . . 203 CYS N . 51696 2 912 . 2 . 2 208 208 ASN H H 1 8.921 0.003 . 1 . . . . . 204 ASN H . 51696 2 913 . 2 . 2 208 208 ASN C C 13 174.656 0.055 . 1 . . . . . 204 ASN CO . 51696 2 914 . 2 . 2 208 208 ASN CA C 13 51.598 0.06 . 1 . . . . . 204 ASN CA . 51696 2 915 . 2 . 2 208 208 ASN CB C 13 38.864 0.04 . 1 . . . . . 204 ASN CB . 51696 2 916 . 2 . 2 208 208 ASN N N 15 123.012 0.062 . 1 . . . . . 204 ASN N . 51696 2 917 . 2 . 2 209 209 VAL H H 1 9.271 0.002 . 1 . . . . . 205 VAL H . 51696 2 918 . 2 . 2 209 209 VAL C C 13 174.895 0.028 . 1 . . . . . 205 VAL CO . 51696 2 919 . 2 . 2 209 209 VAL CA C 13 61.104 0.068 . 1 . . . . . 205 VAL CA . 51696 2 920 . 2 . 2 209 209 VAL CB C 13 32.752 0.014 . 1 . . . . . 205 VAL CB . 51696 2 921 . 2 . 2 209 209 VAL N N 15 126.705 0.053 . 1 . . . . . 205 VAL N . 51696 2 922 . 2 . 2 210 210 ASN H H 1 8.663 0.004 . 1 . . . . . 206 ASN H . 51696 2 923 . 2 . 2 210 210 ASN C C 13 174.073 0.054 . 1 . . . . . 206 ASN CO . 51696 2 924 . 2 . 2 210 210 ASN CA C 13 51.76 0.04 . 1 . . . . . 206 ASN CA . 51696 2 925 . 2 . 2 210 210 ASN CB C 13 40.776 0.054 . 1 . . . . . 206 ASN CB . 51696 2 926 . 2 . 2 210 210 ASN N N 15 126.084 0.049 . 1 . . . . . 206 ASN N . 51696 2 927 . 2 . 2 211 211 HIS H H 1 8.876 0.002 . 1 . . . . . 207 HIS H . 51696 2 928 . 2 . 2 211 211 HIS C C 13 173.827 0.032 . 1 . . . . . 207 HIS CO . 51696 2 929 . 2 . 2 211 211 HIS CA C 13 54.213 0.051 . 1 . . . . . 207 HIS CA . 51696 2 930 . 2 . 2 211 211 HIS CB C 13 32.428 0.021 . 1 . . . . . 207 HIS CB . 51696 2 931 . 2 . 2 211 211 HIS N N 15 126.58 0.036 . 1 . . . . . 207 HIS N . 51696 2 932 . 2 . 2 212 212 LYS H H 1 9.008 0.003 . 1 . . . . . 208 LYS H . 51696 2 933 . 2 . 2 212 212 LYS C C 13 177.359 0 . 1 . . . . . 208 LYS CO . 51696 2 934 . 2 . 2 212 212 LYS CA C 13 60.12 0.024 . 1 . . . . . 208 LYS CA . 51696 2 935 . 2 . 2 212 212 LYS CB C 13 28.771 0 . 1 . . . . . 208 LYS CB . 51696 2 936 . 2 . 2 212 212 LYS N N 15 127.942 0.058 . 1 . . . . . 208 LYS N . 51696 2 937 . 2 . 2 213 213 PRO C C 13 176.297 0.007 . 1 . . . . . 209 PRO CO . 51696 2 938 . 2 . 2 213 213 PRO CA C 13 65.685 0.061 . 1 . . . . . 209 PRO CA . 51696 2 939 . 2 . 2 213 213 PRO CB C 13 31.119 0.02 . 1 . . . . . 209 PRO CB . 51696 2 940 . 2 . 2 214 214 SER H H 1 6.432 0.004 . 1 . . . . . 210 SER H . 51696 2 941 . 2 . 2 214 214 SER C C 13 174.552 0.015 . 1 . . . . . 210 SER CO . 51696 2 942 . 2 . 2 214 214 SER CA C 13 56.996 0.022 . 1 . . . . . 210 SER CA . 51696 2 943 . 2 . 2 214 214 SER CB C 13 63.725 0.02 . 1 . . . . . 210 SER CB . 51696 2 944 . 2 . 2 214 214 SER N N 15 106.486 0.046 . 1 . . . . . 210 SER N . 51696 2 945 . 2 . 2 215 215 ASN H H 1 8.164 0.003 . 1 . . . . . 211 ASN H . 51696 2 946 . 2 . 2 215 215 ASN C C 13 174.86 0.017 . 1 . . . . . 211 ASN CO . 51696 2 947 . 2 . 2 215 215 ASN CA C 13 54.219 0.056 . 1 . . . . . 211 ASN CA . 51696 2 948 . 2 . 2 215 215 ASN CB C 13 37.243 0.016 . 1 . . . . . 211 ASN CB . 51696 2 949 . 2 . 2 215 215 ASN N N 15 120.895 0.063 . 1 . . . . . 211 ASN N . 51696 2 950 . 2 . 2 216 216 THR H H 1 7.708 0.004 . 1 . . . . . 212 THR H . 51696 2 951 . 2 . 2 216 216 THR C C 13 173.891 0.025 . 1 . . . . . 212 THR CO . 51696 2 952 . 2 . 2 216 216 THR CA C 13 62.831 0.04 . 1 . . . . . 212 THR CA . 51696 2 953 . 2 . 2 216 216 THR CB C 13 69.248 0.029 . 1 . . . . . 212 THR CB . 51696 2 954 . 2 . 2 216 216 THR N N 15 113.732 0.041 . 1 . . . . . 212 THR N . 51696 2 955 . 2 . 2 217 217 LYS H H 1 8.503 0.003 . 1 . . . . . 213 LYS H . 51696 2 956 . 2 . 2 217 217 LYS C C 13 175.532 0.007 . 1 . . . . . 213 LYS CO . 51696 2 957 . 2 . 2 217 217 LYS CA C 13 55.258 0.057 . 1 . . . . . 213 LYS CA . 51696 2 958 . 2 . 2 217 217 LYS CB C 13 33.56 0.062 . 1 . . . . . 213 LYS CB . 51696 2 959 . 2 . 2 217 217 LYS N N 15 129.764 0.034 . 1 . . . . . 213 LYS N . 51696 2 960 . 2 . 2 218 218 VAL H H 1 8.638 0.004 . 1 . . . . . 214 VAL H . 51696 2 961 . 2 . 2 218 218 VAL C C 13 173.302 0.01 . 1 . . . . . 214 VAL CO . 51696 2 962 . 2 . 2 218 218 VAL CA C 13 60.466 0.032 . 1 . . . . . 214 VAL CA . 51696 2 963 . 2 . 2 218 218 VAL CB C 13 35.65 0.015 . 1 . . . . . 214 VAL CB . 51696 2 964 . 2 . 2 218 218 VAL N N 15 124.715 0.065 . 1 . . . . . 214 VAL N . 51696 2 965 . 2 . 2 219 219 ASP H H 1 8.283 0.003 . 1 . . . . . 215 ASP H . 51696 2 966 . 2 . 2 219 219 ASP C C 13 175.616 0.049 . 1 . . . . . 215 ASP CO . 51696 2 967 . 2 . 2 219 219 ASP CA C 13 52.338 0.025 . 1 . . . . . 215 ASP CA . 51696 2 968 . 2 . 2 219 219 ASP CB C 13 42.415 0.067 . 1 . . . . . 215 ASP CB . 51696 2 969 . 2 . 2 219 219 ASP N N 15 126.956 0.039 . 1 . . . . . 215 ASP N . 51696 2 970 . 2 . 2 220 220 LYS H H 1 8.621 0.003 . 1 . . . . . 216 LYS H . 51696 2 971 . 2 . 2 220 220 LYS C C 13 173.85 0.047 . 1 . . . . . 216 LYS CO . 51696 2 972 . 2 . 2 220 220 LYS CA C 13 52.926 0.008 . 1 . . . . . 216 LYS CA . 51696 2 973 . 2 . 2 220 220 LYS CB C 13 33.477 0.07 . 1 . . . . . 216 LYS CB . 51696 2 974 . 2 . 2 220 220 LYS N N 15 124.95 0.057 . 1 . . . . . 216 LYS N . 51696 2 975 . 2 . 2 221 221 ARG H H 1 8.543 0.005 . 1 . . . . . 217 ARG H . 51696 2 976 . 2 . 2 221 221 ARG C C 13 176.458 0.033 . 1 . . . . . 217 ARG CO . 51696 2 977 . 2 . 2 221 221 ARG CA C 13 55.868 0.025 . 1 . . . . . 217 ARG CA . 51696 2 978 . 2 . 2 221 221 ARG CB C 13 29.996 0.039 . 1 . . . . . 217 ARG CB . 51696 2 979 . 2 . 2 221 221 ARG N N 15 127.886 0.073 . 1 . . . . . 217 ARG N . 51696 2 980 . 2 . 2 222 222 VAL H H 1 8.947 0.004 . 1 . . . . . 218 VAL H . 51696 2 981 . 2 . 2 222 222 VAL C C 13 175.359 0.047 . 1 . . . . . 218 VAL CO . 51696 2 982 . 2 . 2 222 222 VAL CA C 13 62.454 0.028 . 1 . . . . . 218 VAL CA . 51696 2 983 . 2 . 2 222 222 VAL CB C 13 31.324 0.048 . 1 . . . . . 218 VAL CB . 51696 2 984 . 2 . 2 222 222 VAL N N 15 129.363 0.042 . 1 . . . . . 218 VAL N . 51696 2 985 . 2 . 2 223 223 GLU H H 1 8.526 0.002 . 1 . . . . . 219 GLU H . 51696 2 986 . 2 . 2 223 223 GLU C C 13 174.346 0 . 1 . . . . . 219 GLU CO . 51696 2 987 . 2 . 2 223 223 GLU CA C 13 52.981 0.018 . 1 . . . . . 219 GLU CA . 51696 2 988 . 2 . 2 223 223 GLU CB C 13 30.597 0 . 1 . . . . . 219 GLU CB . 51696 2 989 . 2 . 2 223 223 GLU N N 15 127.549 0.073 . 1 . . . . . 219 GLU N . 51696 2 990 . 2 . 2 227 227 CYS CA C 13 55.214 0.07 . 1 . . . . . 223 CYS CA . 51696 2 991 . 2 . 2 227 227 CYS CB C 13 40.832 0.05 . 1 . . . . . 223 CYS CB . 51696 2 992 . 2 . 2 228 228 ASP H H 1 8.39 0.003 . 1 . . . . . 224 ASP H . 51696 2 993 . 2 . 2 228 228 ASP C C 13 176.419 0.033 . 1 . . . . . 224 ASP CO . 51696 2 994 . 2 . 2 228 228 ASP CA C 13 54.159 0.014 . 1 . . . . . 224 ASP CA . 51696 2 995 . 2 . 2 228 228 ASP CB C 13 40.699 0.116 . 1 . . . . . 224 ASP CB . 51696 2 996 . 2 . 2 228 228 ASP N N 15 122.616 0.038 . 1 . . . . . 224 ASP N . 51696 2 997 . 2 . 2 229 229 LYS H H 1 8.214 0.003 . 1 . . . . . 225 LYS H . 51696 2 998 . 2 . 2 229 229 LYS C C 13 177.252 0.024 . 1 . . . . . 225 LYS CO . 51696 2 999 . 2 . 2 229 229 LYS CA C 13 55.834 0.039 . 1 . . . . . 225 LYS CA . 51696 2 1000 . 2 . 2 229 229 LYS CB C 13 32.008 0.035 . 1 . . . . . 225 LYS CB . 51696 2 1001 . 2 . 2 229 229 LYS N N 15 121.835 0.061 . 1 . . . . . 225 LYS N . 51696 2 1002 . 2 . 2 230 230 THR H H 1 8.134 0.003 . 1 . . . . . 226 THR H . 51696 2 1003 . 2 . 2 230 230 THR C C 13 174.307 0.011 . 1 . . . . . 226 THR CO . 51696 2 1004 . 2 . 2 230 230 THR CA C 13 61.818 0.048 . 1 . . . . . 226 THR CA . 51696 2 1005 . 2 . 2 230 230 THR CB C 13 69.426 0.07 . 1 . . . . . 226 THR CB . 51696 2 1006 . 2 . 2 230 230 THR N N 15 115.229 0.046 . 1 . . . . . 226 THR N . 51696 2 1007 . 2 . 2 231 231 HIS H H 1 7.909 0.005 . 1 . . . . . 227 HIS H . 51696 2 1008 . 2 . 2 231 231 HIS C C 13 179.295 0 . 1 . . . . . 227 HIS CO . 51696 2 1009 . 2 . 2 231 231 HIS CA C 13 56.731 0.024 . 1 . . . . . 227 HIS CA . 51696 2 1010 . 2 . 2 231 231 HIS CB C 13 29.509 0 . 1 . . . . . 227 HIS CB . 51696 2 1011 . 2 . 2 231 231 HIS N N 15 125.503 0.056 . 1 . . . . . 227 HIS N . 51696 2 stop_ save_