data_51411 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51411 _Entry.Title ; 1H, 13C and 15N backbone chemical Shift assignments of the extracellular region of human PD-L1 (residues 19-239) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-25 _Entry.Accession_date 2022-04-25 _Entry.Last_release_date 2022-04-25 _Entry.Original_release_date 2022-04-25 _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 Kayleigh Walker . . . . 51411 2 Lorna Waters . C. . . 51411 3 Geoff Kelly . . . . 51411 4 Frederick Muskett . W. . . 51411 5 Mark Carr . D. . . 51411 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Leicester Institute of Structural and Chemical Biology, University of Leicester' . 51411 2 . 'MRC Biomedical NMR Centre, Franci Crick Institute' . 51411 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51411 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 51411 '15N chemical shifts' 168 51411 '1H chemical shifts' 168 51411 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 . . 2022-10-10 2022-04-25 update BMRB 'update entry citation' 51411 1 . . 2022-07-03 2022-04-25 original author 'original release' 51411 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51412 'N-terminal IgV-like domain of human PD-L1 (residues 19-134)' 51411 SP Q9NZQ7 . 51411 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51411 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35675028 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Sequence-specific 1 H, 13 C and 15 N backbone NMR assignments for the N-terminal IgV-like domain (D1) and full extracellular region (D1D2) of PD-L1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 281 _Citation.Page_last 288 _Citation.Year 2022 _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 Kayleigh Walker . . . . 51411 1 2 Lorna Waters . C. . . 51411 1 3 Geoff Kelly . . . . 51411 1 4 Frederick Muskett . W. . . 51411 1 5 Mark Carr . D. . . 51411 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51411 _Assembly.ID 1 _Assembly.Name PD-L1_D1D2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 PD-L1_D1D2 1 $entity_1 . . yes native no no . . . 51411 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 22 22 SG . 1 . 1 CYS 96 96 SG . . . 40 CYS SG . . . 114 CYS SG 51411 1 2 disulfide single . 1 . 1 CYS 137 137 SG . 1 . 1 CYS 191 191 SG . . . 155 CYS SG . . . 209 CYS SG 51411 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51411 _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 ; FTVTVPKDLYVVEYGSNMTI ECKFPVEKQLDLAALIVYWE MEDKNIIQFVHGEEDLKVQH SSYRQRARLLKDQLSLGNAA LQITDVKLQDAGVYRCMISY GGADYKRITVKVNAPYNKIN QRILVVDPVTSEHELTCQAE GYPKAEVIWTSSDHQVLSGK TTTTNSKREEKLFNVTSTLR INTTTNEIFYCTFRRLDPEE NHTAELVIPELPLAHPPNER T ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 221 _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UniProt Q9NZQ7 . PD-L1(Human) . . . . . . . . . . . . . . 51411 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 19 PHE . 51411 1 2 20 THR . 51411 1 3 21 VAL . 51411 1 4 22 THR . 51411 1 5 23 VAL . 51411 1 6 24 PRO . 51411 1 7 25 LYS . 51411 1 8 26 ASP . 51411 1 9 27 LEU . 51411 1 10 28 TYR . 51411 1 11 29 VAL . 51411 1 12 30 VAL . 51411 1 13 31 GLU . 51411 1 14 32 TYR . 51411 1 15 33 GLY . 51411 1 16 34 SER . 51411 1 17 35 ASN . 51411 1 18 36 MET . 51411 1 19 37 THR . 51411 1 20 38 ILE . 51411 1 21 39 GLU . 51411 1 22 40 CYS . 51411 1 23 41 LYS . 51411 1 24 42 PHE . 51411 1 25 43 PRO . 51411 1 26 44 VAL . 51411 1 27 45 GLU . 51411 1 28 46 LYS . 51411 1 29 47 GLN . 51411 1 30 48 LEU . 51411 1 31 49 ASP . 51411 1 32 50 LEU . 51411 1 33 51 ALA . 51411 1 34 52 ALA . 51411 1 35 53 LEU . 51411 1 36 54 ILE . 51411 1 37 55 VAL . 51411 1 38 56 TYR . 51411 1 39 57 TRP . 51411 1 40 58 GLU . 51411 1 41 59 MET . 51411 1 42 60 GLU . 51411 1 43 61 ASP . 51411 1 44 62 LYS . 51411 1 45 63 ASN . 51411 1 46 64 ILE . 51411 1 47 65 ILE . 51411 1 48 66 GLN . 51411 1 49 67 PHE . 51411 1 50 68 VAL . 51411 1 51 69 HIS . 51411 1 52 70 GLY . 51411 1 53 71 GLU . 51411 1 54 72 GLU . 51411 1 55 73 ASP . 51411 1 56 74 LEU . 51411 1 57 75 LYS . 51411 1 58 76 VAL . 51411 1 59 77 GLN . 51411 1 60 78 HIS . 51411 1 61 79 SER . 51411 1 62 80 SER . 51411 1 63 81 TYR . 51411 1 64 82 ARG . 51411 1 65 83 GLN . 51411 1 66 84 ARG . 51411 1 67 85 ALA . 51411 1 68 86 ARG . 51411 1 69 87 LEU . 51411 1 70 88 LEU . 51411 1 71 89 LYS . 51411 1 72 90 ASP . 51411 1 73 91 GLN . 51411 1 74 92 LEU . 51411 1 75 93 SER . 51411 1 76 94 LEU . 51411 1 77 95 GLY . 51411 1 78 96 ASN . 51411 1 79 97 ALA . 51411 1 80 98 ALA . 51411 1 81 99 LEU . 51411 1 82 100 GLN . 51411 1 83 101 ILE . 51411 1 84 102 THR . 51411 1 85 103 ASP . 51411 1 86 104 VAL . 51411 1 87 105 LYS . 51411 1 88 106 LEU . 51411 1 89 107 GLN . 51411 1 90 108 ASP . 51411 1 91 109 ALA . 51411 1 92 110 GLY . 51411 1 93 111 VAL . 51411 1 94 112 TYR . 51411 1 95 113 ARG . 51411 1 96 114 CYS . 51411 1 97 115 MET . 51411 1 98 116 ILE . 51411 1 99 117 SER . 51411 1 100 118 TYR . 51411 1 101 119 GLY . 51411 1 102 120 GLY . 51411 1 103 121 ALA . 51411 1 104 122 ASP . 51411 1 105 123 TYR . 51411 1 106 124 LYS . 51411 1 107 125 ARG . 51411 1 108 126 ILE . 51411 1 109 127 THR . 51411 1 110 128 VAL . 51411 1 111 129 LYS . 51411 1 112 130 VAL . 51411 1 113 131 ASN . 51411 1 114 132 ALA . 51411 1 115 133 PRO . 51411 1 116 134 TYR . 51411 1 117 135 ASN . 51411 1 118 136 LYS . 51411 1 119 137 ILE . 51411 1 120 138 ASN . 51411 1 121 139 GLN . 51411 1 122 140 ARG . 51411 1 123 141 ILE . 51411 1 124 142 LEU . 51411 1 125 143 VAL . 51411 1 126 144 VAL . 51411 1 127 145 ASP . 51411 1 128 146 PRO . 51411 1 129 147 VAL . 51411 1 130 148 THR . 51411 1 131 149 SER . 51411 1 132 150 GLU . 51411 1 133 151 HIS . 51411 1 134 152 GLU . 51411 1 135 153 LEU . 51411 1 136 154 THR . 51411 1 137 155 CYS . 51411 1 138 156 GLN . 51411 1 139 157 ALA . 51411 1 140 158 GLU . 51411 1 141 159 GLY . 51411 1 142 160 TYR . 51411 1 143 161 PRO . 51411 1 144 162 LYS . 51411 1 145 163 ALA . 51411 1 146 164 GLU . 51411 1 147 165 VAL . 51411 1 148 166 ILE . 51411 1 149 167 TRP . 51411 1 150 168 THR . 51411 1 151 169 SER . 51411 1 152 170 SER . 51411 1 153 171 ASP . 51411 1 154 172 HIS . 51411 1 155 173 GLN . 51411 1 156 174 VAL . 51411 1 157 175 LEU . 51411 1 158 176 SER . 51411 1 159 177 GLY . 51411 1 160 178 LYS . 51411 1 161 179 THR . 51411 1 162 180 THR . 51411 1 163 181 THR . 51411 1 164 182 THR . 51411 1 165 183 ASN . 51411 1 166 184 SER . 51411 1 167 185 LYS . 51411 1 168 186 ARG . 51411 1 169 187 GLU . 51411 1 170 188 GLU . 51411 1 171 189 LYS . 51411 1 172 190 LEU . 51411 1 173 191 PHE . 51411 1 174 192 ASN . 51411 1 175 193 VAL . 51411 1 176 194 THR . 51411 1 177 195 SER . 51411 1 178 196 THR . 51411 1 179 197 LEU . 51411 1 180 198 ARG . 51411 1 181 199 ILE . 51411 1 182 200 ASN . 51411 1 183 201 THR . 51411 1 184 202 THR . 51411 1 185 203 THR . 51411 1 186 204 ASN . 51411 1 187 205 GLU . 51411 1 188 206 ILE . 51411 1 189 207 PHE . 51411 1 190 208 TYR . 51411 1 191 209 CYS . 51411 1 192 210 THR . 51411 1 193 211 PHE . 51411 1 194 212 ARG . 51411 1 195 213 ARG . 51411 1 196 214 LEU . 51411 1 197 215 ASP . 51411 1 198 216 PRO . 51411 1 199 217 GLU . 51411 1 200 218 GLU . 51411 1 201 219 ASN . 51411 1 202 220 HIS . 51411 1 203 221 THR . 51411 1 204 222 ALA . 51411 1 205 223 GLU . 51411 1 206 224 LEU . 51411 1 207 225 VAL . 51411 1 208 226 ILE . 51411 1 209 227 PRO . 51411 1 210 228 GLU . 51411 1 211 229 LEU . 51411 1 212 230 PRO . 51411 1 213 231 LEU . 51411 1 214 232 ALA . 51411 1 215 233 HIS . 51411 1 216 234 PRO . 51411 1 217 235 PRO . 51411 1 218 236 ASN . 51411 1 219 237 GLU . 51411 1 220 238 ARG . 51411 1 221 239 THR . 51411 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 . PHE 1 1 51411 1 . THR 2 2 51411 1 . VAL 3 3 51411 1 . THR 4 4 51411 1 . VAL 5 5 51411 1 . PRO 6 6 51411 1 . LYS 7 7 51411 1 . ASP 8 8 51411 1 . LEU 9 9 51411 1 . TYR 10 10 51411 1 . VAL 11 11 51411 1 . VAL 12 12 51411 1 . GLU 13 13 51411 1 . TYR 14 14 51411 1 . GLY 15 15 51411 1 . SER 16 16 51411 1 . ASN 17 17 51411 1 . MET 18 18 51411 1 . THR 19 19 51411 1 . ILE 20 20 51411 1 . GLU 21 21 51411 1 . CYS 22 22 51411 1 . LYS 23 23 51411 1 . PHE 24 24 51411 1 . PRO 25 25 51411 1 . VAL 26 26 51411 1 . GLU 27 27 51411 1 . LYS 28 28 51411 1 . GLN 29 29 51411 1 . LEU 30 30 51411 1 . ASP 31 31 51411 1 . LEU 32 32 51411 1 . ALA 33 33 51411 1 . ALA 34 34 51411 1 . LEU 35 35 51411 1 . ILE 36 36 51411 1 . VAL 37 37 51411 1 . TYR 38 38 51411 1 . TRP 39 39 51411 1 . GLU 40 40 51411 1 . MET 41 41 51411 1 . GLU 42 42 51411 1 . ASP 43 43 51411 1 . LYS 44 44 51411 1 . ASN 45 45 51411 1 . ILE 46 46 51411 1 . ILE 47 47 51411 1 . GLN 48 48 51411 1 . PHE 49 49 51411 1 . VAL 50 50 51411 1 . HIS 51 51 51411 1 . GLY 52 52 51411 1 . GLU 53 53 51411 1 . GLU 54 54 51411 1 . ASP 55 55 51411 1 . LEU 56 56 51411 1 . LYS 57 57 51411 1 . VAL 58 58 51411 1 . GLN 59 59 51411 1 . HIS 60 60 51411 1 . SER 61 61 51411 1 . SER 62 62 51411 1 . TYR 63 63 51411 1 . ARG 64 64 51411 1 . GLN 65 65 51411 1 . ARG 66 66 51411 1 . ALA 67 67 51411 1 . ARG 68 68 51411 1 . LEU 69 69 51411 1 . LEU 70 70 51411 1 . LYS 71 71 51411 1 . ASP 72 72 51411 1 . GLN 73 73 51411 1 . LEU 74 74 51411 1 . SER 75 75 51411 1 . LEU 76 76 51411 1 . GLY 77 77 51411 1 . ASN 78 78 51411 1 . ALA 79 79 51411 1 . ALA 80 80 51411 1 . LEU 81 81 51411 1 . GLN 82 82 51411 1 . ILE 83 83 51411 1 . THR 84 84 51411 1 . ASP 85 85 51411 1 . VAL 86 86 51411 1 . LYS 87 87 51411 1 . LEU 88 88 51411 1 . GLN 89 89 51411 1 . ASP 90 90 51411 1 . ALA 91 91 51411 1 . GLY 92 92 51411 1 . VAL 93 93 51411 1 . TYR 94 94 51411 1 . ARG 95 95 51411 1 . CYS 96 96 51411 1 . MET 97 97 51411 1 . ILE 98 98 51411 1 . SER 99 99 51411 1 . TYR 100 100 51411 1 . GLY 101 101 51411 1 . GLY 102 102 51411 1 . ALA 103 103 51411 1 . ASP 104 104 51411 1 . TYR 105 105 51411 1 . LYS 106 106 51411 1 . ARG 107 107 51411 1 . ILE 108 108 51411 1 . THR 109 109 51411 1 . VAL 110 110 51411 1 . LYS 111 111 51411 1 . VAL 112 112 51411 1 . ASN 113 113 51411 1 . ALA 114 114 51411 1 . PRO 115 115 51411 1 . TYR 116 116 51411 1 . ASN 117 117 51411 1 . LYS 118 118 51411 1 . ILE 119 119 51411 1 . ASN 120 120 51411 1 . GLN 121 121 51411 1 . ARG 122 122 51411 1 . ILE 123 123 51411 1 . LEU 124 124 51411 1 . VAL 125 125 51411 1 . VAL 126 126 51411 1 . ASP 127 127 51411 1 . PRO 128 128 51411 1 . VAL 129 129 51411 1 . THR 130 130 51411 1 . SER 131 131 51411 1 . GLU 132 132 51411 1 . HIS 133 133 51411 1 . GLU 134 134 51411 1 . LEU 135 135 51411 1 . THR 136 136 51411 1 . CYS 137 137 51411 1 . GLN 138 138 51411 1 . ALA 139 139 51411 1 . GLU 140 140 51411 1 . GLY 141 141 51411 1 . TYR 142 142 51411 1 . PRO 143 143 51411 1 . LYS 144 144 51411 1 . ALA 145 145 51411 1 . GLU 146 146 51411 1 . VAL 147 147 51411 1 . ILE 148 148 51411 1 . TRP 149 149 51411 1 . THR 150 150 51411 1 . SER 151 151 51411 1 . SER 152 152 51411 1 . ASP 153 153 51411 1 . HIS 154 154 51411 1 . GLN 155 155 51411 1 . VAL 156 156 51411 1 . LEU 157 157 51411 1 . SER 158 158 51411 1 . GLY 159 159 51411 1 . LYS 160 160 51411 1 . THR 161 161 51411 1 . THR 162 162 51411 1 . THR 163 163 51411 1 . THR 164 164 51411 1 . ASN 165 165 51411 1 . SER 166 166 51411 1 . LYS 167 167 51411 1 . ARG 168 168 51411 1 . GLU 169 169 51411 1 . GLU 170 170 51411 1 . LYS 171 171 51411 1 . LEU 172 172 51411 1 . PHE 173 173 51411 1 . ASN 174 174 51411 1 . VAL 175 175 51411 1 . THR 176 176 51411 1 . SER 177 177 51411 1 . THR 178 178 51411 1 . LEU 179 179 51411 1 . ARG 180 180 51411 1 . ILE 181 181 51411 1 . ASN 182 182 51411 1 . THR 183 183 51411 1 . THR 184 184 51411 1 . THR 185 185 51411 1 . ASN 186 186 51411 1 . GLU 187 187 51411 1 . ILE 188 188 51411 1 . PHE 189 189 51411 1 . TYR 190 190 51411 1 . CYS 191 191 51411 1 . THR 192 192 51411 1 . PHE 193 193 51411 1 . ARG 194 194 51411 1 . ARG 195 195 51411 1 . LEU 196 196 51411 1 . ASP 197 197 51411 1 . PRO 198 198 51411 1 . GLU 199 199 51411 1 . GLU 200 200 51411 1 . ASN 201 201 51411 1 . HIS 202 202 51411 1 . THR 203 203 51411 1 . ALA 204 204 51411 1 . GLU 205 205 51411 1 . LEU 206 206 51411 1 . VAL 207 207 51411 1 . ILE 208 208 51411 1 . PRO 209 209 51411 1 . GLU 210 210 51411 1 . LEU 211 211 51411 1 . PRO 212 212 51411 1 . LEU 213 213 51411 1 . ALA 214 214 51411 1 . HIS 215 215 51411 1 . PRO 216 216 51411 1 . PRO 217 217 51411 1 . ASN 218 218 51411 1 . GLU 219 219 51411 1 . ARG 220 220 51411 1 . THR 221 221 51411 1 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 51411 _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 . . . . . . . . . . . . . 51411 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 51411 _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' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 51411 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51411 _Sample.ID 1 _Sample.Name PD-L1_D1D2 _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 PD-L1_D1D2 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 240 . . uM . . . . 51411 1 2 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 51411 1 3 'sodium chloride' 'natural abundance' . . . . . . 20 . . mM . . . . 51411 1 4 EDTA 'natural abundance' . . . . . . 10 . . uM . . . . 51411 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51411 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 51411 _Sample_condition_list.ID 1 _Sample_condition_list.Name D1D2_sample_conditions _Sample_condition_list.Details '25mM potassium phosphate pH7.5, 20mM sodium chloride, 10mM EDTA, 0.02% sodium azide (w/v), 5% D2O' 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' 0.02 . M 51411 1 pH 7.5 . pH 51411 1 pressure 1 . atm 51411 1 temperature 303 . K 51411 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51411 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51411 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51411 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data collection' . 51411 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51411 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version linux _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data processing and NUS reconstruction' . 51411 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51411 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version 4.01 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'backbone dihedral angle prediction' . 51411 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51411 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance II 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51411 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'MRC Biomedical NMR Centre 950 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51411 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51411 1 2 '3D TROSY-HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51411 1 3 '3D TROSY-HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51411 1 4 '3D TROSY-HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51411 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 51411 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name PD-L1_D1D2 _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 internal indirect 0.25 . . . . . 51411 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 51411 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101 . . . . . 51411 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 51411 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PDL1_D1D2_backbone_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51411 1 2 '3D TROSY-HNCO' . . . 51411 1 3 '3D TROSY-HNCACB' . . . 51411 1 4 '3D TROSY-HN(CO)CACB' . . . 51411 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51411 1 2 $software_2 . . 51411 1 3 $software_3 . . 51411 1 4 $software_4 . . 51411 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PHE C C 13 174.07 0.00 . 1 . . . . . 19 PHE C . 51411 1 2 . 1 . 1 1 1 PHE CA C 13 57.35 0.00 . 1 . . . . . 19 PHE CA . 51411 1 3 . 1 . 1 1 1 PHE CB C 13 36.27 0.00 . 1 . . . . . 19 PHE CB . 51411 1 4 . 1 . 1 2 2 THR H H 1 6.72 0.00 . 1 . . . . . 20 THR H . 51411 1 5 . 1 . 1 2 2 THR C C 13 172.42 0.00 . 1 . . . . . 20 THR C . 51411 1 6 . 1 . 1 2 2 THR CA C 13 57.27 0.00 . 1 . . . . . 20 THR CA . 51411 1 7 . 1 . 1 2 2 THR CB C 13 68.73 0.12 . 1 . . . . . 20 THR CB . 51411 1 8 . 1 . 1 2 2 THR N N 15 122 0.02 . 1 . . . . . 20 THR N . 51411 1 9 . 1 . 1 3 3 VAL H H 1 9.45 0.01 . 1 . . . . . 21 VAL H . 51411 1 10 . 1 . 1 3 3 VAL C C 13 175.37 0.00 . 1 . . . . . 21 VAL C . 51411 1 11 . 1 . 1 3 3 VAL CA C 13 57.42 0.02 . 1 . . . . . 21 VAL CA . 51411 1 12 . 1 . 1 3 3 VAL CB C 13 29.88 0.01 . 1 . . . . . 21 VAL CB . 51411 1 13 . 1 . 1 3 3 VAL N N 15 127.2 0.08 . 1 . . . . . 21 VAL N . 51411 1 14 . 1 . 1 4 4 THR H H 1 8.85 0.00 . 1 . . . . . 22 THR H . 51411 1 15 . 1 . 1 4 4 THR C C 13 175.37 0.00 . 1 . . . . . 22 THR C . 51411 1 16 . 1 . 1 4 4 THR CA C 13 56.97 0.00 . 1 . . . . . 22 THR CA . 51411 1 17 . 1 . 1 4 4 THR CB C 13 68.63 0.01 . 1 . . . . . 22 THR CB . 51411 1 18 . 1 . 1 4 4 THR N N 15 118.52 0.03 . 1 . . . . . 22 THR N . 51411 1 19 . 1 . 1 5 5 VAL H H 1 8.539 0.00 . 1 . . . . . 23 VAL H . 51411 1 20 . 1 . 1 5 5 VAL C C 13 173.468 0.00 . 1 . . . . . 23 VAL C . 51411 1 21 . 1 . 1 5 5 VAL CA C 13 53.476 0.00 . 1 . . . . . 23 VAL CA . 51411 1 22 . 1 . 1 5 5 VAL CB C 13 30.009 0.00 . 1 . . . . . 23 VAL CB . 51411 1 23 . 1 . 1 5 5 VAL N N 15 115.707 0.13 . 1 . . . . . 23 VAL N . 51411 1 24 . 1 . 1 8 8 ASP C C 13 175.17 0.00 . 1 . . . . . 26 ASP C . 51411 1 25 . 1 . 1 8 8 ASP CA C 13 50.91 0.00 . 1 . . . . . 26 ASP CA . 51411 1 26 . 1 . 1 8 8 ASP CB C 13 37.7 0.00 . 1 . . . . . 26 ASP CB . 51411 1 27 . 1 . 1 9 9 LEU H H 1 7.068 0.00 . 1 . . . . . 27 LEU H . 51411 1 28 . 1 . 1 9 9 LEU C C 13 174.91 0.00 . 1 . . . . . 27 LEU C . 51411 1 29 . 1 . 1 9 9 LEU CA C 13 51.48 0.03 . 1 . . . . . 27 LEU CA . 51411 1 30 . 1 . 1 9 9 LEU CB C 13 40.4 0.05 . 1 . . . . . 27 LEU CB . 51411 1 31 . 1 . 1 9 9 LEU N N 15 123.1 0.04 . 1 . . . . . 27 LEU N . 51411 1 32 . 1 . 1 10 10 TYR H H 1 9.161 0.00 . 1 . . . . . 28 TYR H . 51411 1 33 . 1 . 1 10 10 TYR C C 13 173.69 0.00 . 1 . . . . . 28 TYR C . 51411 1 34 . 1 . 1 10 10 TYR CA C 13 53.97 0.09 . 1 . . . . . 28 TYR CA . 51411 1 35 . 1 . 1 10 10 TYR CB C 13 37.83 0.02 . 1 . . . . . 28 TYR CB . 51411 1 36 . 1 . 1 10 10 TYR N N 15 126.8 0.07 . 1 . . . . . 28 TYR N . 51411 1 37 . 1 . 1 11 11 VAL H H 1 8.326 0.00 . 1 . . . . . 29 VAL H . 51411 1 38 . 1 . 1 11 11 VAL C C 13 176.13 0.00 . 1 . . . . . 29 VAL C . 51411 1 39 . 1 . 1 11 11 VAL CA C 13 58.72 0.04 . 1 . . . . . 29 VAL CA . 51411 1 40 . 1 . 1 11 11 VAL CB C 13 28.39 0.06 . 1 . . . . . 29 VAL CB . 51411 1 41 . 1 . 1 11 11 VAL N N 15 123.7 0.04 . 1 . . . . . 29 VAL N . 51411 1 42 . 1 . 1 12 12 VAL H H 1 8.844 0.00 . 1 . . . . . 30 VAL H . 51411 1 43 . 1 . 1 12 12 VAL C C 13 174.16 0.00 . 1 . . . . . 30 VAL C . 51411 1 44 . 1 . 1 12 12 VAL CA C 13 56.5 0.03 . 1 . . . . . 30 VAL CA . 51411 1 45 . 1 . 1 12 12 VAL CB C 13 31.78 0.00 . 1 . . . . . 30 VAL CB . 51411 1 46 . 1 . 1 12 12 VAL N N 15 125.2 0.04 . 1 . . . . . 30 VAL N . 51411 1 47 . 1 . 1 13 13 GLU H H 1 8.46 0.01 . 1 . . . . . 31 GLU H . 51411 1 48 . 1 . 1 13 13 GLU C C 13 176.91 0.00 . 1 . . . . . 31 GLU C . 51411 1 49 . 1 . 1 13 13 GLU CA C 13 52.68 0.02 . 1 . . . . . 31 GLU CA . 51411 1 50 . 1 . 1 13 13 GLU CB C 13 27.45 0.05 . 1 . . . . . 31 GLU CB . 51411 1 51 . 1 . 1 13 13 GLU N N 15 123.3 0.05 . 1 . . . . . 31 GLU N . 51411 1 52 . 1 . 1 14 14 TYR H H 1 8.762 0.01 . 1 . . . . . 32 TYR H . 51411 1 53 . 1 . 1 14 14 TYR C C 13 176.39 0.00 . 1 . . . . . 32 TYR C . 51411 1 54 . 1 . 1 14 14 TYR CA C 13 57.08 0.03 . 1 . . . . . 32 TYR CA . 51411 1 55 . 1 . 1 14 14 TYR CB C 13 36.56 0.06 . 1 . . . . . 32 TYR CB . 51411 1 56 . 1 . 1 14 14 TYR N N 15 126.4 0.08 . 1 . . . . . 32 TYR N . 51411 1 57 . 1 . 1 15 15 GLY H H 1 9.238 0.00 . 1 . . . . . 33 GLY H . 51411 1 58 . 1 . 1 15 15 GLY C C 13 174.28 0.00 . 1 . . . . . 33 GLY C . 51411 1 59 . 1 . 1 15 15 GLY CA C 13 41.97 0.06 . 1 . . . . . 33 GLY CA . 51411 1 60 . 1 . 1 15 15 GLY N N 15 118.9 0.02 . 1 . . . . . 33 GLY N . 51411 1 61 . 1 . 1 16 16 SER H H 1 7.776 0.00 . 1 . . . . . 34 SER H . 51411 1 62 . 1 . 1 16 16 SER C C 13 171.36 0.00 . 1 . . . . . 34 SER C . 51411 1 63 . 1 . 1 16 16 SER CA C 13 54.97 0.04 . 1 . . . . . 34 SER CA . 51411 1 64 . 1 . 1 16 16 SER CB C 13 61.56 0.02 . 1 . . . . . 34 SER CB . 51411 1 65 . 1 . 1 16 16 SER N N 15 116.8 0.07 . 1 . . . . . 34 SER N . 51411 1 66 . 1 . 1 17 17 ASN H H 1 8.132 0.00 . 1 . . . . . 35 ASN H . 51411 1 67 . 1 . 1 17 17 ASN C C 13 174.66 0.00 . 1 . . . . . 35 ASN C . 51411 1 68 . 1 . 1 17 17 ASN CA C 13 48.56 0.04 . 1 . . . . . 35 ASN CA . 51411 1 69 . 1 . 1 17 17 ASN CB C 13 36.26 0.02 . 1 . . . . . 35 ASN CB . 51411 1 70 . 1 . 1 17 17 ASN N N 15 115.4 0.06 . 1 . . . . . 35 ASN N . 51411 1 71 . 1 . 1 18 18 MET H H 1 8.819 0.00 . 1 . . . . . 36 MET H . 51411 1 72 . 1 . 1 18 18 MET C C 13 173.25 0.00 . 1 . . . . . 36 MET C . 51411 1 73 . 1 . 1 18 18 MET CA C 13 51.29 0.07 . 1 . . . . . 36 MET CA . 51411 1 74 . 1 . 1 18 18 MET CB C 13 33 0.03 . 1 . . . . . 36 MET CB . 51411 1 75 . 1 . 1 18 18 MET N N 15 121.6 0.03 . 1 . . . . . 36 MET N . 51411 1 76 . 1 . 1 19 19 THR H H 1 8.062 0.00 . 1 . . . . . 37 THR H . 51411 1 77 . 1 . 1 19 19 THR C C 13 173.48 0.00 . 1 . . . . . 37 THR C . 51411 1 78 . 1 . 1 19 19 THR CA C 13 58.24 0.03 . 1 . . . . . 37 THR CA . 51411 1 79 . 1 . 1 19 19 THR CB C 13 67.13 0.04 . 1 . . . . . 37 THR CB . 51411 1 80 . 1 . 1 19 19 THR N N 15 120.2 0.04 . 1 . . . . . 37 THR N . 51411 1 81 . 1 . 1 20 20 ILE H H 1 8.646 0.00 . 1 . . . . . 38 ILE H . 51411 1 82 . 1 . 1 20 20 ILE C C 13 174.95 0.00 . 1 . . . . . 38 ILE C . 51411 1 83 . 1 . 1 20 20 ILE CA C 13 56.65 0.02 . 1 . . . . . 38 ILE CA . 51411 1 84 . 1 . 1 20 20 ILE CB C 13 36.36 0.12 . 1 . . . . . 38 ILE CB . 51411 1 85 . 1 . 1 20 20 ILE N N 15 123.1 0.03 . 1 . . . . . 38 ILE N . 51411 1 86 . 1 . 1 21 21 GLU H H 1 7.085 0.00 . 1 . . . . . 39 GLU H . 51411 1 87 . 1 . 1 21 21 GLU CA C 13 55.17 0.00 . 1 . . . . . 39 GLU CA . 51411 1 88 . 1 . 1 21 21 GLU CB C 13 26.21 0.00 . 1 . . . . . 39 GLU CB . 51411 1 89 . 1 . 1 21 21 GLU N N 15 121.7 0.02 . 1 . . . . . 39 GLU N . 51411 1 90 . 1 . 1 27 27 GLU C C 13 176.77 0.00 . 1 . . . . . 45 GLU C . 51411 1 91 . 1 . 1 27 27 GLU CB C 13 28.39 0.04 . 1 . . . . . 45 GLU CB . 51411 1 92 . 1 . 1 28 28 LYS H H 1 7.939 0.01 . 1 . . . . . 46 LYS H . 51411 1 93 . 1 . 1 28 28 LYS C C 13 175.71 0.00 . 1 . . . . . 46 LYS C . 51411 1 94 . 1 . 1 28 28 LYS CA C 13 59.72 0.06 . 1 . . . . . 46 LYS CA . 51411 1 95 . 1 . 1 28 28 LYS CB C 13 30.73 0.02 . 1 . . . . . 46 LYS CB . 51411 1 96 . 1 . 1 28 28 LYS N N 15 121.3 0.02 . 1 . . . . . 46 LYS N . 51411 1 97 . 1 . 1 29 29 GLN H H 1 8.131 0.00 . 1 . . . . . 47 GLN H . 51411 1 98 . 1 . 1 29 29 GLN C C 13 175.13 0.00 . 1 . . . . . 47 GLN C . 51411 1 99 . 1 . 1 29 29 GLN CA C 13 53.64 0.00 . 1 . . . . . 47 GLN CA . 51411 1 100 . 1 . 1 29 29 GLN CB C 13 25.85 0.00 . 1 . . . . . 47 GLN CB . 51411 1 101 . 1 . 1 29 29 GLN N N 15 119.4 0.04 . 1 . . . . . 47 GLN N . 51411 1 102 . 1 . 1 30 30 LEU H H 1 8.389 0.00 . 1 . . . . . 48 LEU H . 51411 1 103 . 1 . 1 30 30 LEU C C 13 175.85 0.00 . 1 . . . . . 48 LEU C . 51411 1 104 . 1 . 1 30 30 LEU CA C 13 52.34 0.08 . 1 . . . . . 48 LEU CA . 51411 1 105 . 1 . 1 30 30 LEU CB C 13 39.36 0.04 . 1 . . . . . 48 LEU CB . 51411 1 106 . 1 . 1 30 30 LEU N N 15 126.4 0.02 . 1 . . . . . 48 LEU N . 51411 1 107 . 1 . 1 31 31 ASP H H 1 8.584 0.00 . 1 . . . . . 49 ASP H . 51411 1 108 . 1 . 1 31 31 ASP C C 13 176.79 0.00 . 1 . . . . . 49 ASP C . 51411 1 109 . 1 . 1 31 31 ASP CA C 13 49.29 0.01 . 1 . . . . . 49 ASP CA . 51411 1 110 . 1 . 1 31 31 ASP CB C 13 37.13 0.08 . 1 . . . . . 49 ASP CB . 51411 1 111 . 1 . 1 31 31 ASP N N 15 127 0.06 . 1 . . . . . 49 ASP N . 51411 1 112 . 1 . 1 32 32 LEU H H 1 8.504 0.00 . 1 . . . . . 50 LEU H . 51411 1 113 . 1 . 1 32 32 LEU C C 13 178.32 0.00 . 1 . . . . . 50 LEU C . 51411 1 114 . 1 . 1 32 32 LEU CA C 13 54.75 0.04 . 1 . . . . . 50 LEU CA . 51411 1 115 . 1 . 1 32 32 LEU CB C 13 38.64 0.07 . 1 . . . . . 50 LEU CB . 51411 1 116 . 1 . 1 32 32 LEU N N 15 125.6 0.04 . 1 . . . . . 50 LEU N . 51411 1 117 . 1 . 1 33 33 ALA H H 1 7.937 0.01 . 1 . . . . . 51 ALA H . 51411 1 118 . 1 . 1 33 33 ALA C C 13 177.9 0.00 . 1 . . . . . 51 ALA C . 51411 1 119 . 1 . 1 33 33 ALA CA C 13 51.01 0.06 . 1 . . . . . 51 ALA CA . 51411 1 120 . 1 . 1 33 33 ALA CB C 13 14.65 0.1 . 1 . . . . . 51 ALA CB . 51411 1 121 . 1 . 1 33 33 ALA N N 15 118.1 0.05 . 1 . . . . . 51 ALA N . 51411 1 122 . 1 . 1 34 34 ALA H H 1 7.402 0.01 . 1 . . . . . 52 ALA H . 51411 1 123 . 1 . 1 34 34 ALA C C 13 176.6 0.00 . 1 . . . . . 52 ALA C . 51411 1 124 . 1 . 1 34 34 ALA CA C 13 48.39 0.06 . 1 . . . . . 52 ALA CA . 51411 1 125 . 1 . 1 34 34 ALA CB C 13 16.62 0.00 . 1 . . . . . 52 ALA CB . 51411 1 126 . 1 . 1 34 34 ALA N N 15 119.1 0.02 . 1 . . . . . 52 ALA N . 51411 1 127 . 1 . 1 35 35 LEU H H 1 7.17 0.00 . 1 . . . . . 53 LEU H . 51411 1 128 . 1 . 1 35 35 LEU C C 13 175.98 0.00 . 1 . . . . . 53 LEU C . 51411 1 129 . 1 . 1 35 35 LEU CA C 13 52.31 0.01 . 1 . . . . . 53 LEU CA . 51411 1 130 . 1 . 1 35 35 LEU CB C 13 40.84 0.04 . 1 . . . . . 53 LEU CB . 51411 1 131 . 1 . 1 35 35 LEU N N 15 121.1 0.03 . 1 . . . . . 53 LEU N . 51411 1 132 . 1 . 1 36 36 ILE H H 1 8.947 0.00 . 1 . . . . . 54 ILE H . 51411 1 133 . 1 . 1 36 36 ILE C C 13 174.9 0.00 . 1 . . . . . 54 ILE C . 51411 1 134 . 1 . 1 36 36 ILE CA C 13 58.03 0.03 . 1 . . . . . 54 ILE CA . 51411 1 135 . 1 . 1 36 36 ILE CB C 13 37.77 0.11 . 1 . . . . . 54 ILE CB . 51411 1 136 . 1 . 1 36 36 ILE N N 15 128.6 0.08 . 1 . . . . . 54 ILE N . 51411 1 137 . 1 . 1 37 37 VAL H H 1 8.919 0.00 . 1 . . . . . 55 VAL H . 51411 1 138 . 1 . 1 37 37 VAL C C 13 174.32 0.00 . 1 . . . . . 55 VAL C . 51411 1 139 . 1 . 1 37 37 VAL CA C 13 57.87 0.04 . 1 . . . . . 55 VAL CA . 51411 1 140 . 1 . 1 37 37 VAL CB C 13 32.31 0.05 . 1 . . . . . 55 VAL CB . 51411 1 141 . 1 . 1 37 37 VAL N N 15 124.3 0.09 . 1 . . . . . 55 VAL N . 51411 1 142 . 1 . 1 38 38 TYR H H 1 9.224 0.01 . 1 . . . . . 56 TYR H . 51411 1 143 . 1 . 1 38 38 TYR C C 13 175.28 0.00 . 1 . . . . . 56 TYR C . 51411 1 144 . 1 . 1 38 38 TYR CA C 13 51.75 0.00 . 1 . . . . . 56 TYR CA . 51411 1 145 . 1 . 1 38 38 TYR CB C 13 37.92 0.00 . 1 . . . . . 56 TYR CB . 51411 1 146 . 1 . 1 38 38 TYR N N 15 125.5 0.08 . 1 . . . . . 56 TYR N . 51411 1 147 . 1 . 1 39 39 TRP H H 1 8.701 0.00 . 1 . . . . . 57 TRP H . 51411 1 148 . 1 . 1 39 39 TRP C C 13 175.69 0.00 . 1 . . . . . 57 TRP C . 51411 1 149 . 1 . 1 39 39 TRP CA C 13 53.29 0.08 . 1 . . . . . 57 TRP CA . 51411 1 150 . 1 . 1 39 39 TRP CB C 13 30.46 0.00 . 1 . . . . . 57 TRP CB . 51411 1 151 . 1 . 1 39 39 TRP N N 15 120 0.02 . 1 . . . . . 57 TRP N . 51411 1 152 . 1 . 1 40 40 GLU H H 1 9.01 0.00 . 1 . . . . . 58 GLU H . 51411 1 153 . 1 . 1 40 40 GLU C C 13 174.17 0.00 . 1 . . . . . 58 GLU C . 51411 1 154 . 1 . 1 40 40 GLU CA C 13 51.47 0.08 . 1 . . . . . 58 GLU CA . 51411 1 155 . 1 . 1 40 40 GLU CB C 13 31.37 0.03 . 1 . . . . . 58 GLU CB . 51411 1 156 . 1 . 1 40 40 GLU N N 15 122 0.04 . 1 . . . . . 58 GLU N . 51411 1 157 . 1 . 1 41 41 MET H H 1 8.433 0.01 . 1 . . . . . 59 MET H . 51411 1 158 . 1 . 1 41 41 MET CA C 13 53.25 0.00 . 1 . . . . . 59 MET CA . 51411 1 159 . 1 . 1 41 41 MET CB C 13 30.67 0.00 . 1 . . . . . 59 MET CB . 51411 1 160 . 1 . 1 41 41 MET N N 15 121.6 0.03 . 1 . . . . . 59 MET N . 51411 1 161 . 1 . 1 43 43 ASP C C 13 175.46 0.00 . 1 . . . . . 61 ASP C . 51411 1 162 . 1 . 1 43 43 ASP CA C 13 51.76 0.00 . 1 . . . . . 61 ASP CA . 51411 1 163 . 1 . 1 43 43 ASP CB C 13 36.74 0.00 . 1 . . . . . 61 ASP CB . 51411 1 164 . 1 . 1 44 44 LYS H H 1 8.426 0.01 . 1 . . . . . 62 LYS H . 51411 1 165 . 1 . 1 44 44 LYS C C 13 175.22 0.00 . 1 . . . . . 62 LYS C . 51411 1 166 . 1 . 1 44 44 LYS CA C 13 52.52 0.09 . 1 . . . . . 62 LYS CA . 51411 1 167 . 1 . 1 44 44 LYS CB C 13 30.01 0.07 . 1 . . . . . 62 LYS CB . 51411 1 168 . 1 . 1 44 44 LYS N N 15 120.9 0.03 . 1 . . . . . 62 LYS N . 51411 1 169 . 1 . 1 45 45 ASN H H 1 8.961 0.00 . 1 . . . . . 63 ASN H . 51411 1 170 . 1 . 1 45 45 ASN C C 13 173.98 0.00 . 1 . . . . . 63 ASN C . 51411 1 171 . 1 . 1 45 45 ASN CA C 13 52.16 0.04 . 1 . . . . . 63 ASN CA . 51411 1 172 . 1 . 1 45 45 ASN CB C 13 36.42 0.08 . 1 . . . . . 63 ASN CB . 51411 1 173 . 1 . 1 45 45 ASN N N 15 122.7 0.04 . 1 . . . . . 63 ASN N . 51411 1 174 . 1 . 1 46 46 ILE H H 1 8.464 0.00 . 1 . . . . . 64 ILE H . 51411 1 175 . 1 . 1 46 46 ILE C C 13 174.68 0.00 . 1 . . . . . 64 ILE C . 51411 1 176 . 1 . 1 46 46 ILE CA C 13 60.21 0.00 . 1 . . . . . 64 ILE CA . 51411 1 177 . 1 . 1 46 46 ILE CB C 13 35.25 0.00 . 1 . . . . . 64 ILE CB . 51411 1 178 . 1 . 1 46 46 ILE N N 15 124.3 0.05 . 1 . . . . . 64 ILE N . 51411 1 179 . 1 . 1 47 47 ILE H H 1 7.546 0.00 . 1 . . . . . 65 ILE H . 51411 1 180 . 1 . 1 47 47 ILE C C 13 174.92 0.00 . 1 . . . . . 65 ILE C . 51411 1 181 . 1 . 1 47 47 ILE CA C 13 55.5 0.04 . 1 . . . . . 65 ILE CA . 51411 1 182 . 1 . 1 47 47 ILE CB C 13 38.12 0.07 . 1 . . . . . 65 ILE CB . 51411 1 183 . 1 . 1 47 47 ILE N N 15 113.3 0.07 . 1 . . . . . 65 ILE N . 51411 1 184 . 1 . 1 48 48 GLN H H 1 8.521 0.01 . 1 . . . . . 66 GLN H . 51411 1 185 . 1 . 1 48 48 GLN C C 13 172.76 0.00 . 1 . . . . . 66 GLN C . 51411 1 186 . 1 . 1 48 48 GLN CA C 13 52.84 0.08 . 1 . . . . . 66 GLN CA . 51411 1 187 . 1 . 1 48 48 GLN CB C 13 27.3 0.03 . 1 . . . . . 66 GLN CB . 51411 1 188 . 1 . 1 48 48 GLN N N 15 126.3 0.04 . 1 . . . . . 66 GLN N . 51411 1 189 . 1 . 1 49 49 PHE H H 1 9.293 0.01 . 1 . . . . . 67 PHE H . 51411 1 190 . 1 . 1 49 49 PHE C C 13 173.18 0.00 . 1 . . . . . 67 PHE C . 51411 1 191 . 1 . 1 49 49 PHE CA C 13 54.14 0.04 . 1 . . . . . 67 PHE CA . 51411 1 192 . 1 . 1 49 49 PHE CB C 13 38.5 0.15 . 1 . . . . . 67 PHE CB . 51411 1 193 . 1 . 1 49 49 PHE N N 15 129.3 0.06 . 1 . . . . . 67 PHE N . 51411 1 194 . 1 . 1 50 50 VAL H H 1 8.258 0.00 . 1 . . . . . 68 VAL H . 51411 1 195 . 1 . 1 50 50 VAL C C 13 172.63 0.00 . 1 . . . . . 68 VAL C . 51411 1 196 . 1 . 1 50 50 VAL CA C 13 57.84 0.07 . 1 . . . . . 68 VAL CA . 51411 1 197 . 1 . 1 50 50 VAL CB C 13 30.87 0.05 . 1 . . . . . 68 VAL CB . 51411 1 198 . 1 . 1 50 50 VAL N N 15 125.6 0.03 . 1 . . . . . 68 VAL N . 51411 1 199 . 1 . 1 51 51 HIS H H 1 8.913 0.00 . 1 . . . . . 69 HIS H . 51411 1 200 . 1 . 1 51 51 HIS C C 13 175.91 0.00 . 1 . . . . . 69 HIS C . 51411 1 201 . 1 . 1 51 51 HIS CA C 13 53.2 0.00 . 1 . . . . . 69 HIS CA . 51411 1 202 . 1 . 1 51 51 HIS CB C 13 24.77 0.00 . 1 . . . . . 69 HIS CB . 51411 1 203 . 1 . 1 51 51 HIS N N 15 125 0.1 . 1 . . . . . 69 HIS N . 51411 1 204 . 1 . 1 52 52 GLY H H 1 7.88 0.02 . 1 . . . . . 70 GLY H . 51411 1 205 . 1 . 1 52 52 GLY C C 13 172.67 0.00 . 1 . . . . . 70 GLY C . 51411 1 206 . 1 . 1 52 52 GLY CA C 13 42.5 0.01 . 1 . . . . . 70 GLY CA . 51411 1 207 . 1 . 1 52 52 GLY N N 15 102.95 0.1 . 1 . . . . . 70 GLY N . 51411 1 208 . 1 . 1 53 53 GLU H H 1 6.947 0.00 . 1 . . . . . 71 GLU H . 51411 1 209 . 1 . 1 53 53 GLU C C 13 174.8 0.00 . 1 . . . . . 71 GLU C . 51411 1 210 . 1 . 1 53 53 GLU CA C 13 51.26 0.1 . 1 . . . . . 71 GLU CA . 51411 1 211 . 1 . 1 53 53 GLU CB C 13 29.72 0.05 . 1 . . . . . 71 GLU CB . 51411 1 212 . 1 . 1 53 53 GLU N N 15 118.8 0.05 . 1 . . . . . 71 GLU N . 51411 1 213 . 1 . 1 54 54 GLU H H 1 8.884 0.01 . 1 . . . . . 72 GLU H . 51411 1 214 . 1 . 1 54 54 GLU C C 13 175.93 0.00 . 1 . . . . . 72 GLU C . 51411 1 215 . 1 . 1 54 54 GLU CA C 13 53.65 0.01 . 1 . . . . . 72 GLU CA . 51411 1 216 . 1 . 1 54 54 GLU CB C 13 27.85 0.04 . 1 . . . . . 72 GLU CB . 51411 1 217 . 1 . 1 54 54 GLU N N 15 123.3 0.05 . 1 . . . . . 72 GLU N . 51411 1 218 . 1 . 1 55 55 ASP H H 1 8.641 0.01 . 1 . . . . . 73 ASP H . 51411 1 219 . 1 . 1 55 55 ASP C C 13 176.89 0.00 . 1 . . . . . 73 ASP C . 51411 1 220 . 1 . 1 55 55 ASP CA C 13 49.99 0.08 . 1 . . . . . 73 ASP CA . 51411 1 221 . 1 . 1 55 55 ASP CB C 13 37.96 0.05 . 1 . . . . . 73 ASP CB . 51411 1 222 . 1 . 1 55 55 ASP N N 15 124.6 0.04 . 1 . . . . . 73 ASP N . 51411 1 223 . 1 . 1 56 56 LEU H H 1 8.567 0.01 . 1 . . . . . 74 LEU H . 51411 1 224 . 1 . 1 56 56 LEU C C 13 175.29 0.00 . 1 . . . . . 74 LEU C . 51411 1 225 . 1 . 1 56 56 LEU CA C 13 52.53 0.05 . 1 . . . . . 74 LEU CA . 51411 1 226 . 1 . 1 56 56 LEU CB C 13 37.61 0.09 . 1 . . . . . 74 LEU CB . 51411 1 227 . 1 . 1 56 56 LEU N N 15 125.3 0.06 . 1 . . . . . 74 LEU N . 51411 1 228 . 1 . 1 57 57 LYS H H 1 8.31 0.01 . 1 . . . . . 75 LYS H . 51411 1 229 . 1 . 1 57 57 LYS C C 13 178.35 0.00 . 1 . . . . . 75 LYS C . 51411 1 230 . 1 . 1 57 57 LYS CA C 13 56.32 0.03 . 1 . . . . . 75 LYS CA . 51411 1 231 . 1 . 1 57 57 LYS CB C 13 28.2 0.11 . 1 . . . . . 75 LYS CB . 51411 1 232 . 1 . 1 57 57 LYS N N 15 119.5 0.13 . 1 . . . . . 75 LYS N . 51411 1 233 . 1 . 1 58 58 VAL H H 1 7.086 0.01 . 1 . . . . . 76 VAL H . 51411 1 234 . 1 . 1 58 58 VAL C C 13 175.43 0.00 . 1 . . . . . 76 VAL C . 51411 1 235 . 1 . 1 58 58 VAL CA C 13 57.67 0.01 . 1 . . . . . 76 VAL CA . 51411 1 236 . 1 . 1 58 58 VAL CB C 13 28.27 0.09 . 1 . . . . . 76 VAL CB . 51411 1 237 . 1 . 1 58 58 VAL N N 15 110.3 0.13 . 1 . . . . . 76 VAL N . 51411 1 238 . 1 . 1 59 59 GLN H H 1 6.817 0.01 . 1 . . . . . 77 GLN H . 51411 1 239 . 1 . 1 59 59 GLN C C 13 176.22 0.00 . 1 . . . . . 77 GLN C . 51411 1 240 . 1 . 1 59 59 GLN CA C 13 53.53 0.08 . 1 . . . . . 77 GLN CA . 51411 1 241 . 1 . 1 59 59 GLN CB C 13 27.29 0.06 . 1 . . . . . 77 GLN CB . 51411 1 242 . 1 . 1 59 59 GLN N N 15 122.8 0.04 . 1 . . . . . 77 GLN N . 51411 1 243 . 1 . 1 60 60 HIS H H 1 9.218 0.00 . 1 . . . . . 78 HIS H . 51411 1 244 . 1 . 1 60 60 HIS CA C 13 56.95 0.00 . 1 . . . . . 78 HIS CA . 51411 1 245 . 1 . 1 60 60 HIS CB C 13 28.42 0.00 . 1 . . . . . 78 HIS CB . 51411 1 246 . 1 . 1 60 60 HIS N N 15 129.5 0.1 . 1 . . . . . 78 HIS N . 51411 1 247 . 1 . 1 62 62 SER C C 13 175.19 0.00 . 1 . . . . . 80 SER C . 51411 1 248 . 1 . 1 62 62 SER CA C 13 58.01 0.00 . 1 . . . . . 80 SER CA . 51411 1 249 . 1 . 1 62 62 SER CB C 13 60 0.00 . 1 . . . . . 80 SER CB . 51411 1 250 . 1 . 1 63 63 TYR H H 1 8.087 0.00 . 1 . . . . . 81 TYR H . 51411 1 251 . 1 . 1 63 63 TYR C C 13 174.75 0.00 . 1 . . . . . 81 TYR C . 51411 1 252 . 1 . 1 63 63 TYR CA C 13 56.67 0.06 . 1 . . . . . 81 TYR CA . 51411 1 253 . 1 . 1 63 63 TYR CB C 13 36.44 0.08 . 1 . . . . . 81 TYR CB . 51411 1 254 . 1 . 1 63 63 TYR N N 15 119 0.05 . 1 . . . . . 81 TYR N . 51411 1 255 . 1 . 1 64 64 ARG H H 1 6.645 0.01 . 1 . . . . . 82 ARG H . 51411 1 256 . 1 . 1 64 64 ARG CA C 13 53.29 0.00 . 1 . . . . . 82 ARG CA . 51411 1 257 . 1 . 1 64 64 ARG CB C 13 30.76 0.00 . 1 . . . . . 82 ARG CB . 51411 1 258 . 1 . 1 64 64 ARG N N 15 119 0.03 . 1 . . . . . 82 ARG N . 51411 1 259 . 1 . 1 65 65 GLN C C 13 176.05 0.00 . 1 . . . . . 83 GLN C . 51411 1 260 . 1 . 1 66 66 ARG H H 1 7.982 0.00 . 1 . . . . . 84 ARG H . 51411 1 261 . 1 . 1 66 66 ARG C C 13 174.31 0.00 . 1 . . . . . 84 ARG C . 51411 1 262 . 1 . 1 66 66 ARG CA C 13 53.64 0.00 . 1 . . . . . 84 ARG CA . 51411 1 263 . 1 . 1 66 66 ARG CB C 13 28.82 0.00 . 1 . . . . . 84 ARG CB . 51411 1 264 . 1 . 1 66 66 ARG N N 15 116.9 0.05 . 1 . . . . . 84 ARG N . 51411 1 265 . 1 . 1 67 67 ALA H H 1 7.428 0.00 . 1 . . . . . 85 ALA H . 51411 1 266 . 1 . 1 67 67 ALA C C 13 176.51 0.00 . 1 . . . . . 85 ALA C . 51411 1 267 . 1 . 1 67 67 ALA CA C 13 47.02 0.07 . 1 . . . . . 85 ALA CA . 51411 1 268 . 1 . 1 67 67 ALA CB C 13 19.83 0.02 . 1 . . . . . 85 ALA CB . 51411 1 269 . 1 . 1 67 67 ALA N N 15 120.2 0.02 . 1 . . . . . 85 ALA N . 51411 1 270 . 1 . 1 68 68 ARG H H 1 8.737 0.00 . 1 . . . . . 86 ARG H . 51411 1 271 . 1 . 1 68 68 ARG C C 13 173.3 0.00 . 1 . . . . . 86 ARG C . 51411 1 272 . 1 . 1 68 68 ARG CA C 13 51.79 0.02 . 1 . . . . . 86 ARG CA . 51411 1 273 . 1 . 1 68 68 ARG CB C 13 29.99 0.01 . 1 . . . . . 86 ARG CB . 51411 1 274 . 1 . 1 68 68 ARG N N 15 120.2 0.01 . 1 . . . . . 86 ARG N . 51411 1 275 . 1 . 1 69 69 LEU H H 1 8.81 0.01 . 1 . . . . . 87 LEU H . 51411 1 276 . 1 . 1 69 69 LEU C C 13 177.11 0.00 . 1 . . . . . 87 LEU C . 51411 1 277 . 1 . 1 69 69 LEU CA C 13 49.96 0.01 . 1 . . . . . 87 LEU CA . 51411 1 278 . 1 . 1 69 69 LEU CB C 13 40.16 0.03 . 1 . . . . . 87 LEU CB . 51411 1 279 . 1 . 1 69 69 LEU N N 15 124.1 0.04 . 1 . . . . . 87 LEU N . 51411 1 280 . 1 . 1 70 70 LEU H H 1 8.44 0.00 . 1 . . . . . 88 LEU H . 51411 1 281 . 1 . 1 70 70 LEU CA C 13 50.96 0.00 . 1 . . . . . 88 LEU CA . 51411 1 282 . 1 . 1 70 70 LEU CB C 13 34.59 0.00 . 1 . . . . . 88 LEU CB . 51411 1 283 . 1 . 1 70 70 LEU N N 15 126.3 0.09 . 1 . . . . . 88 LEU N . 51411 1 284 . 1 . 1 72 72 ASP C C 13 177.62 0.00 . 1 . . . . . 90 ASP C . 51411 1 285 . 1 . 1 72 72 ASP CA C 13 53.4 0.00 . 1 . . . . . 90 ASP CA . 51411 1 286 . 1 . 1 72 72 ASP CB C 13 36.29 0.00 . 1 . . . . . 90 ASP CB . 51411 1 287 . 1 . 1 73 73 GLN H H 1 7.383 0.01 . 1 . . . . . 91 GLN H . 51411 1 288 . 1 . 1 73 73 GLN C C 13 177.93 0.00 . 1 . . . . . 91 GLN C . 51411 1 289 . 1 . 1 73 73 GLN CA C 13 53.41 0.00 . 1 . . . . . 91 GLN CA . 51411 1 290 . 1 . 1 73 73 GLN CB C 13 25.16 0.03 . 1 . . . . . 91 GLN CB . 51411 1 291 . 1 . 1 73 73 GLN N N 15 116.2 0.04 . 1 . . . . . 91 GLN N . 51411 1 292 . 1 . 1 74 74 LEU H H 1 7.451 0.01 . 1 . . . . . 92 LEU H . 51411 1 293 . 1 . 1 74 74 LEU C C 13 179.39 0.00 . 1 . . . . . 92 LEU C . 51411 1 294 . 1 . 1 74 74 LEU CA C 13 55.35 0.05 . 1 . . . . . 92 LEU CA . 51411 1 295 . 1 . 1 74 74 LEU CB C 13 38.05 0.03 . 1 . . . . . 92 LEU CB . 51411 1 296 . 1 . 1 74 74 LEU N N 15 121.5 0.05 . 1 . . . . . 92 LEU N . 51411 1 297 . 1 . 1 75 75 SER H H 1 7.687 0.01 . 1 . . . . . 93 SER H . 51411 1 298 . 1 . 1 75 75 SER C C 13 174.13 0.00 . 1 . . . . . 93 SER C . 51411 1 299 . 1 . 1 75 75 SER CA C 13 58.05 0.10 . 1 . . . . . 93 SER CA . 51411 1 300 . 1 . 1 75 75 SER CB C 13 59.82 0.05 . 1 . . . . . 93 SER CB . 51411 1 301 . 1 . 1 75 75 SER N N 15 110.9 0.05 . 1 . . . . . 93 SER N . 51411 1 302 . 1 . 1 76 76 LEU H H 1 7.151 0.01 . 1 . . . . . 94 LEU H . 51411 1 303 . 1 . 1 76 76 LEU C C 13 177.67 0.00 . 1 . . . . . 94 LEU C . 51411 1 304 . 1 . 1 76 76 LEU CA C 13 50.66 0.09 . 1 . . . . . 94 LEU CA . 51411 1 305 . 1 . 1 76 76 LEU CB C 13 37.9 0.03 . 1 . . . . . 94 LEU CB . 51411 1 306 . 1 . 1 76 76 LEU N N 15 119.3 0.02 . 1 . . . . . 94 LEU N . 51411 1 307 . 1 . 1 77 77 GLY H H 1 7.874 0.01 . 1 . . . . . 95 GLY H . 51411 1 308 . 1 . 1 77 77 GLY C C 13 172.3 0.00 . 1 . . . . . 95 GLY C . 51411 1 309 . 1 . 1 77 77 GLY CA C 13 42.3 0.01 . 1 . . . . . 95 GLY CA . 51411 1 310 . 1 . 1 77 77 GLY N N 15 109.4 0.08 . 1 . . . . . 95 GLY N . 51411 1 311 . 1 . 1 78 78 ASN H H 1 7.01 0.00 . 1 . . . . . 96 ASN H . 51411 1 312 . 1 . 1 78 78 ASN C C 13 174.17 0.00 . 1 . . . . . 96 ASN C . 51411 1 313 . 1 . 1 78 78 ASN CA C 13 48.49 0.07 . 1 . . . . . 96 ASN CA . 51411 1 314 . 1 . 1 78 78 ASN CB C 13 37.33 0.01 . 1 . . . . . 96 ASN CB . 51411 1 315 . 1 . 1 78 78 ASN N N 15 116.9 0.06 . 1 . . . . . 96 ASN N . 51411 1 316 . 1 . 1 79 79 ALA H H 1 9.336 0.00 . 1 . . . . . 97 ALA H . 51411 1 317 . 1 . 1 79 79 ALA C C 13 176.21 0.00 . 1 . . . . . 97 ALA C . 51411 1 318 . 1 . 1 79 79 ALA CA C 13 46.89 0.00 . 1 . . . . . 97 ALA CA . 51411 1 319 . 1 . 1 79 79 ALA CB C 13 15.36 0.00 . 1 . . . . . 97 ALA CB . 51411 1 320 . 1 . 1 79 79 ALA N N 15 130.2 0.09 . 1 . . . . . 97 ALA N . 51411 1 321 . 1 . 1 80 80 ALA H H 1 7.726 0.00 . 1 . . . . . 98 ALA H . 51411 1 322 . 1 . 1 80 80 ALA C C 13 174.19 0.00 . 1 . . . . . 98 ALA C . 51411 1 323 . 1 . 1 80 80 ALA CA C 13 47.86 0.00 . 1 . . . . . 98 ALA CA . 51411 1 324 . 1 . 1 80 80 ALA CB C 13 16.7 0.06 . 1 . . . . . 98 ALA CB . 51411 1 325 . 1 . 1 80 80 ALA N N 15 129.6 0.06 . 1 . . . . . 98 ALA N . 51411 1 326 . 1 . 1 81 81 LEU H H 1 8.236 0.00 . 1 . . . . . 99 LEU H . 51411 1 327 . 1 . 1 81 81 LEU C C 13 173.46 0.00 . 1 . . . . . 99 LEU C . 51411 1 328 . 1 . 1 81 81 LEU CA C 13 49.58 0.06 . 1 . . . . . 99 LEU CA . 51411 1 329 . 1 . 1 81 81 LEU CB C 13 38.57 0.04 . 1 . . . . . 99 LEU CB . 51411 1 330 . 1 . 1 81 81 LEU N N 15 125.8 0.12 . 1 . . . . . 99 LEU N . 51411 1 331 . 1 . 1 82 82 GLN H H 1 8.805 0.01 . 1 . . . . . 100 GLN H . 51411 1 332 . 1 . 1 82 82 GLN C C 13 175.21 0.00 . 1 . . . . . 100 GLN C . 51411 1 333 . 1 . 1 82 82 GLN CA C 13 50.42 0.04 . 1 . . . . . 100 GLN CA . 51411 1 334 . 1 . 1 82 82 GLN CB C 13 29.24 0.03 . 1 . . . . . 100 GLN CB . 51411 1 335 . 1 . 1 82 82 GLN N N 15 127.3 0.08 . 1 . . . . . 100 GLN N . 51411 1 336 . 1 . 1 83 83 ILE H H 1 8.784 0.00 . 1 . . . . . 101 ILE H . 51411 1 337 . 1 . 1 83 83 ILE C C 13 179.24 0.00 . 1 . . . . . 101 ILE C . 51411 1 338 . 1 . 1 83 83 ILE CA C 13 56.54 0.06 . 1 . . . . . 101 ILE CA . 51411 1 339 . 1 . 1 83 83 ILE CB C 13 36.31 0.02 . 1 . . . . . 101 ILE CB . 51411 1 340 . 1 . 1 83 83 ILE N N 15 127.7 0.06 . 1 . . . . . 101 ILE N . 51411 1 341 . 1 . 1 84 84 THR H H 1 8.328 0.00 . 1 . . . . . 102 THR H . 51411 1 342 . 1 . 1 84 84 THR C C 13 173.44 0.00 . 1 . . . . . 102 THR C . 51411 1 343 . 1 . 1 84 84 THR CA C 13 57.36 0.01 . 1 . . . . . 102 THR CA . 51411 1 344 . 1 . 1 84 84 THR CB C 13 67.53 0.03 . 1 . . . . . 102 THR CB . 51411 1 345 . 1 . 1 84 84 THR N N 15 119.2 0.11 . 1 . . . . . 102 THR N . 51411 1 346 . 1 . 1 85 85 ASP H H 1 7.839 0.01 . 1 . . . . . 103 ASP H . 51411 1 347 . 1 . 1 85 85 ASP C C 13 174.78 0.00 . 1 . . . . . 103 ASP C . 51411 1 348 . 1 . 1 85 85 ASP CA C 13 51.32 0.03 . 1 . . . . . 103 ASP CA . 51411 1 349 . 1 . 1 85 85 ASP CB C 13 35.68 0.02 . 1 . . . . . 103 ASP CB . 51411 1 350 . 1 . 1 85 85 ASP N N 15 119.7 0.03 . 1 . . . . . 103 ASP N . 51411 1 351 . 1 . 1 86 86 VAL H H 1 8.247 0.00 . 1 . . . . . 104 VAL H . 51411 1 352 . 1 . 1 86 86 VAL C C 13 176.25 0.00 . 1 . . . . . 104 VAL C . 51411 1 353 . 1 . 1 86 86 VAL CA C 13 61.19 0.03 . 1 . . . . . 104 VAL CA . 51411 1 354 . 1 . 1 86 86 VAL CB C 13 28.57 0.03 . 1 . . . . . 104 VAL CB . 51411 1 355 . 1 . 1 86 86 VAL N N 15 118.2 0.03 . 1 . . . . . 104 VAL N . 51411 1 356 . 1 . 1 87 87 LYS H H 1 9.204 0.00 . 1 . . . . . 105 LYS H . 51411 1 357 . 1 . 1 87 87 LYS CA C 13 50.75 0.00 . 1 . . . . . 105 LYS CA . 51411 1 358 . 1 . 1 87 87 LYS CB C 13 31.47 0.00 . 1 . . . . . 105 LYS CB . 51411 1 359 . 1 . 1 87 87 LYS N N 15 128.2 0.1 . 1 . . . . . 105 LYS N . 51411 1 360 . 1 . 1 89 89 GLN C C 13 175 0.00 . 1 . . . . . 107 GLN C . 51411 1 361 . 1 . 1 89 89 GLN CA C 13 54.18 0.00 . 1 . . . . . 107 GLN CA . 51411 1 362 . 1 . 1 89 89 GLN CB C 13 24.53 0.01 . 1 . . . . . 107 GLN CB . 51411 1 363 . 1 . 1 90 90 ASP H H 1 7.511 0.00 . 1 . . . . . 108 ASP H . 51411 1 364 . 1 . 1 90 90 ASP C C 13 176.34 0.00 . 1 . . . . . 108 ASP C . 51411 1 365 . 1 . 1 90 90 ASP CA C 13 51.78 0.02 . 1 . . . . . 108 ASP CA . 51411 1 366 . 1 . 1 90 90 ASP CB C 13 37.57 0.00 . 1 . . . . . 108 ASP CB . 51411 1 367 . 1 . 1 90 90 ASP N N 15 117.7 0.03 . 1 . . . . . 108 ASP N . 51411 1 368 . 1 . 1 91 91 ALA H H 1 7.283 0.00 . 1 . . . . . 109 ALA H . 51411 1 369 . 1 . 1 91 91 ALA C C 13 175.95 0.00 . 1 . . . . . 109 ALA C . 51411 1 370 . 1 . 1 91 91 ALA CA C 13 49.46 0.04 . 1 . . . . . 109 ALA CA . 51411 1 371 . 1 . 1 91 91 ALA CB C 13 16.23 0.05 . 1 . . . . . 109 ALA CB . 51411 1 372 . 1 . 1 91 91 ALA N N 15 122.8 0.04 . 1 . . . . . 109 ALA N . 51411 1 373 . 1 . 1 92 92 GLY H H 1 8.584 0.01 . 1 . . . . . 110 GLY H . 51411 1 374 . 1 . 1 92 92 GLY C C 13 171.35 0.00 . 1 . . . . . 110 GLY C . 51411 1 375 . 1 . 1 92 92 GLY CA C 13 41.8 0.00 . 1 . . . . . 110 GLY CA . 51411 1 376 . 1 . 1 92 92 GLY N N 15 110 0.07 . 1 . . . . . 110 GLY N . 51411 1 377 . 1 . 1 93 93 VAL H H 1 8.617 0.00 . 1 . . . . . 111 VAL H . 51411 1 378 . 1 . 1 93 93 VAL C C 13 175.89 0.00 . 1 . . . . . 111 VAL C . 51411 1 379 . 1 . 1 93 93 VAL CA C 13 59.53 0.00 . 1 . . . . . 111 VAL CA . 51411 1 380 . 1 . 1 93 93 VAL CB C 13 28.69 0.00 . 1 . . . . . 111 VAL CB . 51411 1 381 . 1 . 1 93 93 VAL N N 15 121.9 0.04 . 1 . . . . . 111 VAL N . 51411 1 382 . 1 . 1 94 94 TYR H H 1 9.986 0.01 . 1 . . . . . 112 TYR H . 51411 1 383 . 1 . 1 94 94 TYR C C 13 175.26 0.00 . 1 . . . . . 112 TYR C . 51411 1 384 . 1 . 1 94 94 TYR CA C 13 54.16 0.1 . 1 . . . . . 112 TYR CA . 51411 1 385 . 1 . 1 94 94 TYR CB C 13 37.9 0.01 . 1 . . . . . 112 TYR CB . 51411 1 386 . 1 . 1 94 94 TYR N N 15 130.8 0.09 . 1 . . . . . 112 TYR N . 51411 1 387 . 1 . 1 95 95 ARG H H 1 9.316 0.00 . 1 . . . . . 113 ARG H . 51411 1 388 . 1 . 1 95 95 ARG C C 13 174.52 0.00 . 1 . . . . . 113 ARG C . 51411 1 389 . 1 . 1 95 95 ARG CA C 13 51.71 0.05 . 1 . . . . . 113 ARG CA . 51411 1 390 . 1 . 1 95 95 ARG CB C 13 30.98 0.07 . 1 . . . . . 113 ARG CB . 51411 1 391 . 1 . 1 95 95 ARG N N 15 120.8 0.04 . 1 . . . . . 113 ARG N . 51411 1 392 . 1 . 1 96 96 CYS H H 1 8.426 0.00 . 1 . . . . . 114 CYS H . 51411 1 393 . 1 . 1 96 96 CYS C C 13 172.14 0.00 . 1 . . . . . 114 CYS C . 51411 1 394 . 1 . 1 96 96 CYS CA C 13 49.16 0.03 . 1 . . . . . 114 CYS CA . 51411 1 395 . 1 . 1 96 96 CYS CB C 13 40.17 0.00 . 1 . . . . . 114 CYS CB . 51411 1 396 . 1 . 1 96 96 CYS N N 15 122.5 0.02 . 1 . . . . . 114 CYS N . 51411 1 397 . 1 . 1 97 97 MET H H 1 8.751 0.00 . 1 . . . . . 115 MET H . 51411 1 398 . 1 . 1 97 97 MET C C 13 174.15 0.00 . 1 . . . . . 115 MET C . 51411 1 399 . 1 . 1 97 97 MET CA C 13 51.7 0.02 . 1 . . . . . 115 MET CA . 51411 1 400 . 1 . 1 97 97 MET CB C 13 30.63 0.05 . 1 . . . . . 115 MET CB . 51411 1 401 . 1 . 1 97 97 MET N N 15 125.2 0.04 . 1 . . . . . 115 MET N . 51411 1 402 . 1 . 1 98 98 ILE H H 1 8.202 0.00 . 1 . . . . . 116 ILE H . 51411 1 403 . 1 . 1 98 98 ILE C C 13 174 0.00 . 1 . . . . . 116 ILE C . 51411 1 404 . 1 . 1 98 98 ILE CA C 13 56.58 0.06 . 1 . . . . . 116 ILE CA . 51411 1 405 . 1 . 1 98 98 ILE CB C 13 36.43 0.03 . 1 . . . . . 116 ILE CB . 51411 1 406 . 1 . 1 98 98 ILE N N 15 125.3 0.06 . 1 . . . . . 116 ILE N . 51411 1 407 . 1 . 1 99 99 SER H H 1 8.68 0.01 . 1 . . . . . 117 SER H . 51411 1 408 . 1 . 1 99 99 SER C C 13 173.45 0.00 . 1 . . . . . 117 SER C . 51411 1 409 . 1 . 1 99 99 SER CA C 13 52.39 0.01 . 1 . . . . . 117 SER CA . 51411 1 410 . 1 . 1 99 99 SER CB C 13 61.52 0.21 . 1 . . . . . 117 SER CB . 51411 1 411 . 1 . 1 99 99 SER N N 15 120.3 0.04 . 1 . . . . . 117 SER N . 51411 1 412 . 1 . 1 100 100 TYR H H 1 8.221 0.00 . 1 . . . . . 118 TYR H . 51411 1 413 . 1 . 1 100 100 TYR CA C 13 54.72 0.00 . 1 . . . . . 118 TYR CA . 51411 1 414 . 1 . 1 100 100 TYR CB C 13 33.9 0.00 . 1 . . . . . 118 TYR CB . 51411 1 415 . 1 . 1 100 100 TYR N N 15 128.5 0.1 . 1 . . . . . 118 TYR N . 51411 1 416 . 1 . 1 101 101 GLY C C 13 174.79 0.00 . 1 . . . . . 119 GLY C . 51411 1 417 . 1 . 1 101 101 GLY CA C 13 43.5 0.07 . 1 . . . . . 119 GLY CA . 51411 1 418 . 1 . 1 102 102 GLY H H 1 6.879 0.01 . 1 . . . . . 120 GLY H . 51411 1 419 . 1 . 1 102 102 GLY C C 13 170.11 0.00 . 1 . . . . . 120 GLY C . 51411 1 420 . 1 . 1 102 102 GLY CA C 13 40.34 0.00 . 1 . . . . . 120 GLY CA . 51411 1 421 . 1 . 1 102 102 GLY N N 15 110.1 0.09 . 1 . . . . . 120 GLY N . 51411 1 422 . 1 . 1 103 103 ALA H H 1 8.12 0.01 . 1 . . . . . 121 ALA H . 51411 1 423 . 1 . 1 103 103 ALA C C 13 176.52 0.00 . 1 . . . . . 121 ALA C . 51411 1 424 . 1 . 1 103 103 ALA CA C 13 48.56 0.00 . 1 . . . . . 121 ALA CA . 51411 1 425 . 1 . 1 103 103 ALA CB C 13 18.63 0.00 . 1 . . . . . 121 ALA CB . 51411 1 426 . 1 . 1 103 103 ALA N N 15 120 0.02 . 1 . . . . . 121 ALA N . 51411 1 427 . 1 . 1 104 104 ASP H H 1 8.61 0.01 . 1 . . . . . 122 ASP H . 51411 1 428 . 1 . 1 104 104 ASP C C 13 172.95 0.00 . 1 . . . . . 122 ASP C . 51411 1 429 . 1 . 1 104 104 ASP CA C 13 50.78 0.1 . 1 . . . . . 122 ASP CA . 51411 1 430 . 1 . 1 104 104 ASP CB C 13 40.9 0.13 . 1 . . . . . 122 ASP CB . 51411 1 431 . 1 . 1 104 104 ASP N N 15 117.8 0.03 . 1 . . . . . 122 ASP N . 51411 1 432 . 1 . 1 105 105 TYR H H 1 8.073 0.01 . 1 . . . . . 123 TYR H . 51411 1 433 . 1 . 1 105 105 TYR C C 13 174.04 0.00 . 1 . . . . . 123 TYR C . 51411 1 434 . 1 . 1 105 105 TYR CA C 13 52.55 0.07 . 1 . . . . . 123 TYR CA . 51411 1 435 . 1 . 1 105 105 TYR CB C 13 39.18 0.05 . 1 . . . . . 123 TYR CB . 51411 1 436 . 1 . 1 105 105 TYR N N 15 116.7 0.04 . 1 . . . . . 123 TYR N . 51411 1 437 . 1 . 1 106 106 LYS H H 1 8.286 0.00 . 1 . . . . . 124 LYS H . 51411 1 438 . 1 . 1 106 106 LYS C C 13 174.45 0.00 . 1 . . . . . 124 LYS C . 51411 1 439 . 1 . 1 106 106 LYS CA C 13 50.44 0.05 . 1 . . . . . 124 LYS CA . 51411 1 440 . 1 . 1 106 106 LYS CB C 13 35.51 0.06 . 1 . . . . . 124 LYS CB . 51411 1 441 . 1 . 1 106 106 LYS N N 15 118.7 0.04 . 1 . . . . . 124 LYS N . 51411 1 442 . 1 . 1 107 107 ARG H H 1 7.906 0.00 . 1 . . . . . 125 ARG H . 51411 1 443 . 1 . 1 107 107 ARG C C 13 175.97 0.00 . 1 . . . . . 125 ARG C . 51411 1 444 . 1 . 1 107 107 ARG CA C 13 52.02 0.14 . 1 . . . . . 125 ARG CA . 51411 1 445 . 1 . 1 107 107 ARG CB C 13 29.38 0.1 . 1 . . . . . 125 ARG CB . 51411 1 446 . 1 . 1 107 107 ARG N N 15 117.7 0.04 . 1 . . . . . 125 ARG N . 51411 1 447 . 1 . 1 108 108 ILE H H 1 9.381 0.00 . 1 . . . . . 126 ILE H . 51411 1 448 . 1 . 1 108 108 ILE C C 13 175.06 0.00 . 1 . . . . . 126 ILE C . 51411 1 449 . 1 . 1 108 108 ILE CA C 13 57.9 0.05 . 1 . . . . . 126 ILE CA . 51411 1 450 . 1 . 1 108 108 ILE CB C 13 40.91 0.08 . 1 . . . . . 126 ILE CB . 51411 1 451 . 1 . 1 108 108 ILE N N 15 122.8 0.04 . 1 . . . . . 126 ILE N . 51411 1 452 . 1 . 1 109 109 THR H H 1 8.735 0.00 . 1 . . . . . 127 THR H . 51411 1 453 . 1 . 1 109 109 THR C C 13 172.89 0.00 . 1 . . . . . 127 THR C . 51411 1 454 . 1 . 1 109 109 THR CA C 13 60.81 0.08 . 1 . . . . . 127 THR CA . 51411 1 455 . 1 . 1 109 109 THR CB C 13 66.54 0.07 . 1 . . . . . 127 THR CB . 51411 1 456 . 1 . 1 109 109 THR N N 15 124.8 0.08 . 1 . . . . . 127 THR N . 51411 1 457 . 1 . 1 110 110 VAL H H 1 9.284 0.00 . 1 . . . . . 128 VAL H . 51411 1 458 . 1 . 1 110 110 VAL C C 13 176.08 0.00 . 1 . . . . . 128 VAL C . 51411 1 459 . 1 . 1 110 110 VAL CA C 13 58.37 0.03 . 1 . . . . . 128 VAL CA . 51411 1 460 . 1 . 1 110 110 VAL CB C 13 31.05 0.03 . 1 . . . . . 128 VAL CB . 51411 1 461 . 1 . 1 110 110 VAL N N 15 128.1 0.09 . 1 . . . . . 128 VAL N . 51411 1 462 . 1 . 1 111 111 LYS H H 1 9.244 0.00 . 1 . . . . . 129 LYS H . 51411 1 463 . 1 . 1 111 111 LYS C C 13 174.07 0.00 . 1 . . . . . 129 LYS C . 51411 1 464 . 1 . 1 111 111 LYS CA C 13 52.09 0.07 . 1 . . . . . 129 LYS CA . 51411 1 465 . 1 . 1 111 111 LYS CB C 13 31.53 0.1 . 1 . . . . . 129 LYS CB . 51411 1 466 . 1 . 1 111 111 LYS N N 15 129.3 0.09 . 1 . . . . . 129 LYS N . 51411 1 467 . 1 . 1 112 112 VAL H H 1 7.95 0.01 . 1 . . . . . 130 VAL H . 51411 1 468 . 1 . 1 112 112 VAL C C 13 174.72 0.00 . 1 . . . . . 130 VAL C . 51411 1 469 . 1 . 1 112 112 VAL CA C 13 57.66 0.08 . 1 . . . . . 130 VAL CA . 51411 1 470 . 1 . 1 112 112 VAL CB C 13 30.42 0.1 . 1 . . . . . 130 VAL CB . 51411 1 471 . 1 . 1 112 112 VAL N N 15 121.9 0.03 . 1 . . . . . 130 VAL N . 51411 1 472 . 1 . 1 113 113 ASN H H 1 8.765 0.01 . 1 . . . . . 131 ASN H . 51411 1 473 . 1 . 1 113 113 ASN CA C 13 48.59 0.00 . 1 . . . . . 131 ASN CA . 51411 1 474 . 1 . 1 113 113 ASN CB C 13 37.77 0.00 . 1 . . . . . 131 ASN CB . 51411 1 475 . 1 . 1 113 113 ASN N N 15 125.8 0.1 . 1 . . . . . 131 ASN N . 51411 1 476 . 1 . 1 116 116 TYR C C 13 172.97 0.00 . 1 . . . . . 134 TYR C . 51411 1 477 . 1 . 1 116 116 TYR CA C 13 53.73 0.00 . 1 . . . . . 134 TYR CA . 51411 1 478 . 1 . 1 116 116 TYR CB C 13 32.18 0.00 . 1 . . . . . 134 TYR CB . 51411 1 479 . 1 . 1 117 117 ASN H H 1 6.966 0.01 . 1 . . . . . 135 ASN H . 51411 1 480 . 1 . 1 117 117 ASN C C 13 176.33 0.00 . 1 . . . . . 135 ASN C . 51411 1 481 . 1 . 1 117 117 ASN CA C 13 49.58 0.02 . 1 . . . . . 135 ASN CA . 51411 1 482 . 1 . 1 117 117 ASN CB C 13 34.6 0.03 . 1 . . . . . 135 ASN CB . 51411 1 483 . 1 . 1 117 117 ASN N N 15 109.4 0.11 . 1 . . . . . 135 ASN N . 51411 1 484 . 1 . 1 118 118 LYS H H 1 8.061 0.00 . 1 . . . . . 136 LYS H . 51411 1 485 . 1 . 1 118 118 LYS C C 13 174.16 0.00 . 1 . . . . . 136 LYS C . 51411 1 486 . 1 . 1 118 118 LYS CA C 13 51.88 0.02 . 1 . . . . . 136 LYS CA . 51411 1 487 . 1 . 1 118 118 LYS CB C 13 27.03 0.03 . 1 . . . . . 136 LYS CB . 51411 1 488 . 1 . 1 118 118 LYS N N 15 125.1 0.04 . 1 . . . . . 136 LYS N . 51411 1 489 . 1 . 1 119 119 ILE H H 1 7.909 0.00 . 1 . . . . . 137 ILE H . 51411 1 490 . 1 . 1 119 119 ILE C C 13 176.44 0.00 . 1 . . . . . 137 ILE C . 51411 1 491 . 1 . 1 119 119 ILE CA C 13 58 0.01 . 1 . . . . . 137 ILE CA . 51411 1 492 . 1 . 1 119 119 ILE CB C 13 36.23 0.04 . 1 . . . . . 137 ILE CB . 51411 1 493 . 1 . 1 119 119 ILE N N 15 124.5 0.04 . 1 . . . . . 137 ILE N . 51411 1 494 . 1 . 1 120 120 ASN H H 1 9.481 0.00 . 1 . . . . . 138 ASN H . 51411 1 495 . 1 . 1 120 120 ASN C C 13 174.34 0.00 . 1 . . . . . 138 ASN C . 51411 1 496 . 1 . 1 120 120 ASN CA C 13 49.62 0.13 . 1 . . . . . 138 ASN CA . 51411 1 497 . 1 . 1 120 120 ASN CB C 13 36.73 0.03 . 1 . . . . . 138 ASN CB . 51411 1 498 . 1 . 1 120 120 ASN N N 15 129 0.1 . 1 . . . . . 138 ASN N . 51411 1 499 . 1 . 1 121 121 GLN H H 1 8.855 0.00 . 1 . . . . . 139 GLN H . 51411 1 500 . 1 . 1 121 121 GLN C C 13 174.96 0.00 . 1 . . . . . 139 GLN C . 51411 1 501 . 1 . 1 121 121 GLN CA C 13 50.41 0.06 . 1 . . . . . 139 GLN CA . 51411 1 502 . 1 . 1 121 121 GLN CB C 13 30.84 0.03 . 1 . . . . . 139 GLN CB . 51411 1 503 . 1 . 1 121 121 GLN N N 15 121.6 0.02 . 1 . . . . . 139 GLN N . 51411 1 504 . 1 . 1 122 122 ARG H H 1 8.577 0.00 . 1 . . . . . 140 ARG H . 51411 1 505 . 1 . 1 122 122 ARG C C 13 173.84 0.00 . 1 . . . . . 140 ARG C . 51411 1 506 . 1 . 1 122 122 ARG CA C 13 53.02 0.02 . 1 . . . . . 140 ARG CA . 51411 1 507 . 1 . 1 122 122 ARG CB C 13 30.61 0.06 . 1 . . . . . 140 ARG CB . 51411 1 508 . 1 . 1 122 122 ARG N N 15 121.2 0.02 . 1 . . . . . 140 ARG N . 51411 1 509 . 1 . 1 123 123 ILE H H 1 8.494 0.00 . 1 . . . . . 141 ILE H . 51411 1 510 . 1 . 1 123 123 ILE C C 13 174.25 0.00 . 1 . . . . . 141 ILE C . 51411 1 511 . 1 . 1 123 123 ILE CA C 13 58.44 0.05 . 1 . . . . . 141 ILE CA . 51411 1 512 . 1 . 1 123 123 ILE CB C 13 37.38 0.05 . 1 . . . . . 141 ILE CB . 51411 1 513 . 1 . 1 123 123 ILE N N 15 124.1 0.05 . 1 . . . . . 141 ILE N . 51411 1 514 . 1 . 1 124 124 LEU H H 1 8.76 0.00 . 1 . . . . . 142 LEU H . 51411 1 515 . 1 . 1 124 124 LEU C C 13 175.89 0.00 . 1 . . . . . 142 LEU C . 51411 1 516 . 1 . 1 124 124 LEU CA C 13 50.24 0.08 . 1 . . . . . 142 LEU CA . 51411 1 517 . 1 . 1 124 124 LEU CB C 13 42.31 0.01 . 1 . . . . . 142 LEU CB . 51411 1 518 . 1 . 1 124 124 LEU N N 15 128 0.07 . 1 . . . . . 142 LEU N . 51411 1 519 . 1 . 1 125 125 VAL H H 1 8.637 0.01 . 1 . . . . . 143 VAL H . 51411 1 520 . 1 . 1 125 125 VAL C C 13 175.47 0.00 . 1 . . . . . 143 VAL C . 51411 1 521 . 1 . 1 125 125 VAL CA C 13 59.53 0.00 . 1 . . . . . 143 VAL CA . 51411 1 522 . 1 . 1 125 125 VAL CB C 13 27.81 0.00 . 1 . . . . . 143 VAL CB . 51411 1 523 . 1 . 1 125 125 VAL N N 15 124.7 0.03 . 1 . . . . . 143 VAL N . 51411 1 524 . 1 . 1 126 126 VAL H H 1 8.355 0.01 . 1 . . . . . 144 VAL H . 51411 1 525 . 1 . 1 126 126 VAL C C 13 176.33 0.00 . 1 . . . . . 144 VAL C . 51411 1 526 . 1 . 1 126 126 VAL CA C 13 60 0.00 . 1 . . . . . 144 VAL CA . 51411 1 527 . 1 . 1 126 126 VAL CB C 13 28.89 0.00 . 1 . . . . . 144 VAL CB . 51411 1 528 . 1 . 1 126 126 VAL N N 15 126.7 0.08 . 1 . . . . . 144 VAL N . 51411 1 529 . 1 . 1 127 127 ASP H H 1 7.088 0.00 . 1 . . . . . 145 ASP H . 51411 1 530 . 1 . 1 127 127 ASP N N 15 116.5 0.03 . 1 . . . . . 145 ASP N . 51411 1 531 . 1 . 1 128 128 PRO C C 13 177.52 0.00 . 1 . . . . . 146 PRO C . 51411 1 532 . 1 . 1 128 128 PRO CA C 13 61.01 0.04 . 1 . . . . . 146 PRO CA . 51411 1 533 . 1 . 1 128 128 PRO CB C 13 29 0.00 . 1 . . . . . 146 PRO CB . 51411 1 534 . 1 . 1 129 129 VAL H H 1 8.155 0.01 . 1 . . . . . 147 VAL H . 51411 1 535 . 1 . 1 129 129 VAL C C 13 178.1 0.00 . 1 . . . . . 147 VAL C . 51411 1 536 . 1 . 1 129 129 VAL CA C 13 62.69 0.00 . 1 . . . . . 147 VAL CA . 51411 1 537 . 1 . 1 129 129 VAL CB C 13 27.63 0.10 . 1 . . . . . 147 VAL CB . 51411 1 538 . 1 . 1 129 129 VAL N N 15 119.7 0.04 . 1 . . . . . 147 VAL N . 51411 1 539 . 1 . 1 130 130 THR H H 1 7.018 0.01 . 1 . . . . . 148 THR H . 51411 1 540 . 1 . 1 130 130 THR CA C 13 58.17 0.00 . 1 . . . . . 148 THR CA . 51411 1 541 . 1 . 1 130 130 THR CB C 13 66.01 0.00 . 1 . . . . . 148 THR CB . 51411 1 542 . 1 . 1 130 130 THR N N 15 107.8 0.01 . 1 . . . . . 148 THR N . 51411 1 543 . 1 . 1 132 132 GLU H H 1 7.975 0.00 . 1 . . . . . 150 GLU H . 51411 1 544 . 1 . 1 132 132 GLU N N 15 125.6 0.00 . 1 . . . . . 150 GLU N . 51411 1 545 . 1 . 1 133 133 HIS H H 1 9.439 0.00 . 1 . . . . . 151 HIS H . 51411 1 546 . 1 . 1 133 133 HIS C C 13 172.98 0.00 . 1 . . . . . 151 HIS C . 51411 1 547 . 1 . 1 133 133 HIS N N 15 127.8 0.00 . 1 . . . . . 151 HIS N . 51411 1 548 . 1 . 1 134 134 GLU H H 1 9.298 0.00 . 1 . . . . . 152 GLU H . 51411 1 549 . 1 . 1 134 134 GLU C C 13 174.42 0.00 . 1 . . . . . 152 GLU C . 51411 1 550 . 1 . 1 134 134 GLU CA C 13 52.26 0.11 . 1 . . . . . 152 GLU CA . 51411 1 551 . 1 . 1 134 134 GLU CB C 13 29.57 0.06 . 1 . . . . . 152 GLU CB . 51411 1 552 . 1 . 1 134 134 GLU N N 15 119.9 0.01 . 1 . . . . . 152 GLU N . 51411 1 553 . 1 . 1 135 135 LEU H H 1 9.357 0.00 . 1 . . . . . 153 LEU H . 51411 1 554 . 1 . 1 135 135 LEU C C 13 175 0.00 . 1 . . . . . 153 LEU C . 51411 1 555 . 1 . 1 135 135 LEU CA C 13 51.12 0.03 . 1 . . . . . 153 LEU CA . 51411 1 556 . 1 . 1 135 135 LEU CB C 13 39.12 0.04 . 1 . . . . . 153 LEU CB . 51411 1 557 . 1 . 1 135 135 LEU N N 15 132.480 0.15 . 1 . . . . . 153 LEU N . 51411 1 558 . 1 . 1 136 136 THR H H 1 9.129 0.00 . 1 . . . . . 154 THR H . 51411 1 559 . 1 . 1 136 136 THR C C 13 174.3 0.00 . 1 . . . . . 154 THR C . 51411 1 560 . 1 . 1 136 136 THR CA C 13 58.39 0.04 . 1 . . . . . 154 THR CA . 51411 1 561 . 1 . 1 136 136 THR CB C 13 69.03 0.07 . 1 . . . . . 154 THR CB . 51411 1 562 . 1 . 1 136 136 THR N N 15 117.3 0.02 . 1 . . . . . 154 THR N . 51411 1 563 . 1 . 1 137 137 CYS H H 1 9.082 0.00 . 1 . . . . . 155 CYS H . 51411 1 564 . 1 . 1 137 137 CYS C C 13 174.81 0.00 . 1 . . . . . 155 CYS C . 51411 1 565 . 1 . 1 137 137 CYS CA C 13 51.93 0.00 . 1 . . . . . 155 CYS CA . 51411 1 566 . 1 . 1 137 137 CYS CB C 13 44.32 0.12 . 1 . . . . . 155 CYS CB . 51411 1 567 . 1 . 1 137 137 CYS N N 15 121.3 0.04 . 1 . . . . . 155 CYS N . 51411 1 568 . 1 . 1 138 138 GLN H H 1 8.92 0.01 . 1 . . . . . 156 GLN H . 51411 1 569 . 1 . 1 138 138 GLN C C 13 172.67 0.00 . 1 . . . . . 156 GLN C . 51411 1 570 . 1 . 1 138 138 GLN CA C 13 51.57 0.04 . 1 . . . . . 156 GLN CA . 51411 1 571 . 1 . 1 138 138 GLN CB C 13 28.35 0.07 . 1 . . . . . 156 GLN CB . 51411 1 572 . 1 . 1 138 138 GLN N N 15 124.6 0.08 . 1 . . . . . 156 GLN N . 51411 1 573 . 1 . 1 139 139 ALA H H 1 9.067 0.01 . 1 . . . . . 157 ALA H . 51411 1 574 . 1 . 1 139 139 ALA C C 13 174.4 0.00 . 1 . . . . . 157 ALA C . 51411 1 575 . 1 . 1 139 139 ALA CA C 13 49.19 0.01 . 1 . . . . . 157 ALA CA . 51411 1 576 . 1 . 1 139 139 ALA CB C 13 20.01 0.02 . 1 . . . . . 157 ALA CB . 51411 1 577 . 1 . 1 139 139 ALA N N 15 127.5 0.08 . 1 . . . . . 157 ALA N . 51411 1 578 . 1 . 1 140 140 GLU H H 1 8.347 0.00 . 1 . . . . . 158 GLU H . 51411 1 579 . 1 . 1 140 140 GLU C C 13 175.58 0.00 . 1 . . . . . 158 GLU C . 51411 1 580 . 1 . 1 140 140 GLU CA C 13 50.56 0.03 . 1 . . . . . 158 GLU CA . 51411 1 581 . 1 . 1 140 140 GLU CB C 13 29.84 0.01 . 1 . . . . . 158 GLU CB . 51411 1 582 . 1 . 1 140 140 GLU N N 15 118.3 0.02 . 1 . . . . . 158 GLU N . 51411 1 583 . 1 . 1 141 141 GLY H H 1 7.955 0.01 . 1 . . . . . 159 GLY H . 51411 1 584 . 1 . 1 141 141 GLY C C 13 170.82 0.00 . 1 . . . . . 159 GLY C . 51411 1 585 . 1 . 1 141 141 GLY CA C 13 42.1 0.03 . 1 . . . . . 159 GLY CA . 51411 1 586 . 1 . 1 141 141 GLY N N 15 108.1 0.2 . 1 . . . . . 159 GLY N . 51411 1 587 . 1 . 1 142 142 TYR H H 1 8.738 0.01 . 1 . . . . . 160 TYR H . 51411 1 588 . 1 . 1 142 142 TYR CA C 13 55.23 0.00 . 1 . . . . . 160 TYR CA . 51411 1 589 . 1 . 1 142 142 TYR CB C 13 40.08 0.00 . 1 . . . . . 160 TYR CB . 51411 1 590 . 1 . 1 142 142 TYR N N 15 120.7 0.05 . 1 . . . . . 160 TYR N . 51411 1 591 . 1 . 1 145 145 ALA C C 13 176.11 0.00 . 1 . . . . . 163 ALA C . 51411 1 592 . 1 . 1 145 145 ALA CA C 13 47.16 0.00 . 1 . . . . . 163 ALA CA . 51411 1 593 . 1 . 1 145 145 ALA CB C 13 17.76 0.06 . 1 . . . . . 163 ALA CB . 51411 1 594 . 1 . 1 146 146 GLU H H 1 7.926 0.00 . 1 . . . . . 164 GLU H . 51411 1 595 . 1 . 1 146 146 GLU C C 13 174.77 0.00 . 1 . . . . . 164 GLU C . 51411 1 596 . 1 . 1 146 146 GLU CA C 13 51.05 0.09 . 1 . . . . . 164 GLU CA . 51411 1 597 . 1 . 1 146 146 GLU CB C 13 28.7 0.01 . 1 . . . . . 164 GLU CB . 51411 1 598 . 1 . 1 146 146 GLU N N 15 118.3 0.02 . 1 . . . . . 164 GLU N . 51411 1 599 . 1 . 1 147 147 VAL H H 1 8.073 0.00 . 1 . . . . . 165 VAL H . 51411 1 600 . 1 . 1 147 147 VAL C C 13 175.57 0.00 . 1 . . . . . 165 VAL C . 51411 1 601 . 1 . 1 147 147 VAL CA C 13 57.38 0.02 . 1 . . . . . 165 VAL CA . 51411 1 602 . 1 . 1 147 147 VAL CB C 13 28.47 0.04 . 1 . . . . . 165 VAL CB . 51411 1 603 . 1 . 1 147 147 VAL N N 15 120.5 0.04 . 1 . . . . . 165 VAL N . 51411 1 604 . 1 . 1 148 148 ILE H H 1 8.99 0.00 . 1 . . . . . 166 ILE H . 51411 1 605 . 1 . 1 148 148 ILE C C 13 176.28 0.00 . 1 . . . . . 166 ILE C . 51411 1 606 . 1 . 1 148 148 ILE CA C 13 56.64 0.04 . 1 . . . . . 166 ILE CA . 51411 1 607 . 1 . 1 148 148 ILE CB C 13 37.54 0.05 . 1 . . . . . 166 ILE CB . 51411 1 608 . 1 . 1 148 148 ILE N N 15 129.5 0.09 . 1 . . . . . 166 ILE N . 51411 1 609 . 1 . 1 149 149 TRP H H 1 9.34 0.01 . 1 . . . . . 167 TRP H . 51411 1 610 . 1 . 1 149 149 TRP C C 13 176.38 0.00 . 1 . . . . . 167 TRP C . 51411 1 611 . 1 . 1 149 149 TRP CA C 13 53.25 0.03 . 1 . . . . . 167 TRP CA . 51411 1 612 . 1 . 1 149 149 TRP CB C 13 28.77 0.17 . 1 . . . . . 167 TRP CB . 51411 1 613 . 1 . 1 149 149 TRP N N 15 132.6 0.11 . 1 . . . . . 167 TRP N . 51411 1 614 . 1 . 1 150 150 THR H H 1 9.344 0.00 . 1 . . . . . 168 THR H . 51411 1 615 . 1 . 1 150 150 THR C C 13 174.68 0.00 . 1 . . . . . 168 THR C . 51411 1 616 . 1 . 1 150 150 THR CA C 13 55.89 0.10 . 1 . . . . . 168 THR CA . 51411 1 617 . 1 . 1 150 150 THR CB C 13 70.23 0.17 . 1 . . . . . 168 THR CB . 51411 1 618 . 1 . 1 150 150 THR N N 15 112 0.08 . 1 . . . . . 168 THR N . 51411 1 619 . 1 . 1 151 151 SER H H 1 8.577 0.00 . 1 . . . . . 169 SER H . 51411 1 620 . 1 . 1 151 151 SER C C 13 176.87 0.00 . 1 . . . . . 169 SER C . 51411 1 621 . 1 . 1 151 151 SER CA C 13 53.76 0.00 . 1 . . . . . 169 SER CA . 51411 1 622 . 1 . 1 151 151 SER CB C 13 63.04 0.00 . 1 . . . . . 169 SER CB . 51411 1 623 . 1 . 1 151 151 SER N N 15 113.6 0.06 . 1 . . . . . 169 SER N . 51411 1 624 . 1 . 1 152 152 SER H H 1 8.649 0.00 . 1 . . . . . 170 SER H . 51411 1 625 . 1 . 1 152 152 SER C C 13 174.51 0.00 . 1 . . . . . 170 SER C . 51411 1 626 . 1 . 1 152 152 SER N N 15 116.5 0.01 . 1 . . . . . 170 SER N . 51411 1 627 . 1 . 1 153 153 ASP H H 1 7.857 0.00 . 1 . . . . . 171 ASP H . 51411 1 628 . 1 . 1 153 153 ASP C C 13 175.39 0.00 . 1 . . . . . 171 ASP C . 51411 1 629 . 1 . 1 153 153 ASP CA C 13 50.25 0.00 . 1 . . . . . 171 ASP CA . 51411 1 630 . 1 . 1 153 153 ASP CB C 13 36.75 0.00 . 1 . . . . . 171 ASP CB . 51411 1 631 . 1 . 1 153 153 ASP N N 15 118.6 0.00 . 1 . . . . . 171 ASP N . 51411 1 632 . 1 . 1 154 154 HIS H H 1 7.733 0.01 . 1 . . . . . 172 HIS H . 51411 1 633 . 1 . 1 154 154 HIS CA C 13 54.63 0.00 . 1 . . . . . 172 HIS CA . 51411 1 634 . 1 . 1 154 154 HIS CB C 13 24.1 0.00 . 1 . . . . . 172 HIS CB . 51411 1 635 . 1 . 1 154 154 HIS N N 15 113.4 0.14 . 1 . . . . . 172 HIS N . 51411 1 636 . 1 . 1 155 155 GLN H H 1 7.684 0.00 . 1 . . . . . 173 GLN H . 51411 1 637 . 1 . 1 155 155 GLN C C 13 175.5 0.00 . 1 . . . . . 173 GLN C . 51411 1 638 . 1 . 1 155 155 GLN CA C 13 52.71 0.04 . 1 . . . . . 173 GLN CA . 51411 1 639 . 1 . 1 155 155 GLN CB C 13 26.05 0.00 . 1 . . . . . 173 GLN CB . 51411 1 640 . 1 . 1 155 155 GLN N N 15 119.3 0.00 . 1 . . . . . 173 GLN N . 51411 1 641 . 1 . 1 156 156 VAL H H 1 8.383 0.01 . 1 . . . . . 174 VAL H . 51411 1 642 . 1 . 1 156 156 VAL C C 13 176.41 0.00 . 1 . . . . . 174 VAL C . 51411 1 643 . 1 . 1 156 156 VAL CA C 13 59.94 0.03 . 1 . . . . . 174 VAL CA . 51411 1 644 . 1 . 1 156 156 VAL CB C 13 28.52 0.02 . 1 . . . . . 174 VAL CB . 51411 1 645 . 1 . 1 156 156 VAL N N 15 123.6 0.06 . 1 . . . . . 174 VAL N . 51411 1 646 . 1 . 1 157 157 LEU H H 1 8.658 0.00 . 1 . . . . . 175 LEU H . 51411 1 647 . 1 . 1 157 157 LEU C C 13 176.24 0.00 . 1 . . . . . 175 LEU C . 51411 1 648 . 1 . 1 157 157 LEU CA C 13 50.19 0.00 . 1 . . . . . 175 LEU CA . 51411 1 649 . 1 . 1 157 157 LEU CB C 13 40.49 0.00 . 1 . . . . . 175 LEU CB . 51411 1 650 . 1 . 1 157 157 LEU N N 15 130 0.09 . 1 . . . . . 175 LEU N . 51411 1 651 . 1 . 1 158 158 SER H H 1 8.461 0.00 . 1 . . . . . 176 SER H . 51411 1 652 . 1 . 1 158 158 SER N N 15 116.7 0.01 . 1 . . . . . 176 SER N . 51411 1 653 . 1 . 1 171 171 LYS C C 13 175.35 0.00 . 1 . . . . . 189 LYS C . 51411 1 654 . 1 . 1 171 171 LYS CA C 13 52.59 0.00 . 1 . . . . . 189 LYS CA . 51411 1 655 . 1 . 1 171 171 LYS CB C 13 30.76 0.00 . 1 . . . . . 189 LYS CB . 51411 1 656 . 1 . 1 172 172 LEU H H 1 8.516 0.00 . 1 . . . . . 190 LEU H . 51411 1 657 . 1 . 1 172 172 LEU C C 13 176.49 0.00 . 1 . . . . . 190 LEU C . 51411 1 658 . 1 . 1 172 172 LEU CA C 13 52.38 0.00 . 1 . . . . . 190 LEU CA . 51411 1 659 . 1 . 1 172 172 LEU CB C 13 43.03 0.07 . 1 . . . . . 190 LEU CB . 51411 1 660 . 1 . 1 172 172 LEU N N 15 120.3 0.02 . 1 . . . . . 190 LEU N . 51411 1 661 . 1 . 1 173 173 PHE H H 1 8.946 0.00 . 1 . . . . . 191 PHE H . 51411 1 662 . 1 . 1 173 173 PHE C C 13 174.65 0.00 . 1 . . . . . 191 PHE C . 51411 1 663 . 1 . 1 173 173 PHE CA C 13 55.73 0.03 . 1 . . . . . 191 PHE CA . 51411 1 664 . 1 . 1 173 173 PHE CB C 13 37.35 0.07 . 1 . . . . . 191 PHE CB . 51411 1 665 . 1 . 1 173 173 PHE N N 15 121.7 0.11 . 1 . . . . . 191 PHE N . 51411 1 666 . 1 . 1 174 174 ASN H H 1 9.069 0.00 . 1 . . . . . 192 ASN H . 51411 1 667 . 1 . 1 174 174 ASN C C 13 174.61 0.00 . 1 . . . . . 192 ASN C . 51411 1 668 . 1 . 1 174 174 ASN CA C 13 50.05 0.07 . 1 . . . . . 192 ASN CA . 51411 1 669 . 1 . 1 174 174 ASN CB C 13 36.76 0.01 . 1 . . . . . 192 ASN CB . 51411 1 670 . 1 . 1 174 174 ASN N N 15 119.4 0.04 . 1 . . . . . 192 ASN N . 51411 1 671 . 1 . 1 175 175 VAL H H 1 9.204 0.00 . 1 . . . . . 193 VAL H . 51411 1 672 . 1 . 1 175 175 VAL C C 13 174.14 0.00 . 1 . . . . . 193 VAL C . 51411 1 673 . 1 . 1 175 175 VAL CA C 13 59.33 0.06 . 1 . . . . . 193 VAL CA . 51411 1 674 . 1 . 1 175 175 VAL CB C 13 29.99 0.06 . 1 . . . . . 193 VAL CB . 51411 1 675 . 1 . 1 175 175 VAL N N 15 130 0.08 . 1 . . . . . 193 VAL N . 51411 1 676 . 1 . 1 176 176 THR H H 1 8.588 0.00 . 1 . . . . . 194 THR H . 51411 1 677 . 1 . 1 176 176 THR C C 13 173.01 0.00 . 1 . . . . . 194 THR C . 51411 1 678 . 1 . 1 176 176 THR CA C 13 57.94 0.03 . 1 . . . . . 194 THR CA . 51411 1 679 . 1 . 1 176 176 THR CB C 13 67.63 0.08 . 1 . . . . . 194 THR CB . 51411 1 680 . 1 . 1 176 176 THR N N 15 122 0.04 . 1 . . . . . 194 THR N . 51411 1 681 . 1 . 1 177 177 SER H H 1 9.427 0.00 . 1 . . . . . 195 SER H . 51411 1 682 . 1 . 1 177 177 SER C C 13 173.55 0.00 . 1 . . . . . 195 SER C . 51411 1 683 . 1 . 1 177 177 SER CA C 13 53.31 0.02 . 1 . . . . . 195 SER CA . 51411 1 684 . 1 . 1 177 177 SER CB C 13 62.16 0.04 . 1 . . . . . 195 SER CB . 51411 1 685 . 1 . 1 177 177 SER N N 15 121.3 0.04 . 1 . . . . . 195 SER N . 51411 1 686 . 1 . 1 178 178 THR H H 1 8.734 0.00 . 1 . . . . . 196 THR H . 51411 1 687 . 1 . 1 178 178 THR C C 13 172.44 0.00 . 1 . . . . . 196 THR C . 51411 1 688 . 1 . 1 178 178 THR CA C 13 57.54 0.01 . 1 . . . . . 196 THR CA . 51411 1 689 . 1 . 1 178 178 THR CB C 13 69.41 0.06 . 1 . . . . . 196 THR CB . 51411 1 690 . 1 . 1 178 178 THR N N 15 122.4 0.05 . 1 . . . . . 196 THR N . 51411 1 691 . 1 . 1 179 179 LEU H H 1 9.075 0.00 . 1 . . . . . 197 LEU H . 51411 1 692 . 1 . 1 179 179 LEU C C 13 174.05 0.00 . 1 . . . . . 197 LEU C . 51411 1 693 . 1 . 1 179 179 LEU CA C 13 50.21 0.09 . 1 . . . . . 197 LEU CA . 51411 1 694 . 1 . 1 179 179 LEU CB C 13 39.81 0.05 . 1 . . . . . 197 LEU CB . 51411 1 695 . 1 . 1 179 179 LEU N N 15 129.8 0.07 . 1 . . . . . 197 LEU N . 51411 1 696 . 1 . 1 180 180 ARG H H 1 8.043 0.00 . 1 . . . . . 198 ARG H . 51411 1 697 . 1 . 1 180 180 ARG C C 13 174.91 0.00 . 1 . . . . . 198 ARG C . 51411 1 698 . 1 . 1 180 180 ARG CA C 13 51.24 0.04 . 1 . . . . . 198 ARG CA . 51411 1 699 . 1 . 1 180 180 ARG CB C 13 27.82 0.08 . 1 . . . . . 198 ARG CB . 51411 1 700 . 1 . 1 180 180 ARG N N 15 127.6 0.09 . 1 . . . . . 198 ARG N . 51411 1 701 . 1 . 1 181 181 ILE H H 1 8.522 0.00 . 1 . . . . . 199 ILE H . 51411 1 702 . 1 . 1 181 181 ILE CA C 13 56.19 0.00 . 1 . . . . . 199 ILE CA . 51411 1 703 . 1 . 1 181 181 ILE CB C 13 38.97 0.00 . 1 . . . . . 199 ILE CB . 51411 1 704 . 1 . 1 181 181 ILE N N 15 122.6 0.01 . 1 . . . . . 199 ILE N . 51411 1 705 . 1 . 1 183 183 THR H H 1 8.09 0.00 . 1 . . . . . 201 THR H . 51411 1 706 . 1 . 1 183 183 THR C C 13 171.9 0.00 . 1 . . . . . 201 THR C . 51411 1 707 . 1 . 1 183 183 THR N N 15 119.9 0.00 . 1 . . . . . 201 THR N . 51411 1 708 . 1 . 1 184 184 THR H H 1 8.372 0.01 . 1 . . . . . 202 THR H . 51411 1 709 . 1 . 1 184 184 THR C C 13 171.94 0.00 . 1 . . . . . 202 THR C . 51411 1 710 . 1 . 1 184 184 THR CA C 13 57.06 0.00 . 1 . . . . . 202 THR CA . 51411 1 711 . 1 . 1 184 184 THR CB C 13 67.82 0.03 . 1 . . . . . 202 THR CB . 51411 1 712 . 1 . 1 184 184 THR N N 15 115.2 0.03 . 1 . . . . . 202 THR N . 51411 1 713 . 1 . 1 185 185 THR H H 1 7.611 0.02 . 1 . . . . . 203 THR H . 51411 1 714 . 1 . 1 185 185 THR C C 13 174.4 0.00 . 1 . . . . . 203 THR C . 51411 1 715 . 1 . 1 185 185 THR CA C 13 61.29 0.11 . 1 . . . . . 203 THR CA . 51411 1 716 . 1 . 1 185 185 THR CB C 13 66.8 0.03 . 1 . . . . . 203 THR CB . 51411 1 717 . 1 . 1 185 185 THR N N 15 116.2 0.05 . 1 . . . . . 203 THR N . 51411 1 718 . 1 . 1 186 186 ASN H H 1 9.113 0.01 . 1 . . . . . 204 ASN H . 51411 1 719 . 1 . 1 186 186 ASN C C 13 175.07 0.00 . 1 . . . . . 204 ASN C . 51411 1 720 . 1 . 1 186 186 ASN CA C 13 52.45 0.00 . 1 . . . . . 204 ASN CA . 51411 1 721 . 1 . 1 186 186 ASN CB C 13 34.15 0.00 . 1 . . . . . 204 ASN CB . 51411 1 722 . 1 . 1 186 186 ASN N N 15 119.2 0.06 . 1 . . . . . 204 ASN N . 51411 1 723 . 1 . 1 187 187 GLU H H 1 7.557 0.00 . 1 . . . . . 205 GLU H . 51411 1 724 . 1 . 1 187 187 GLU C C 13 174.13 0.00 . 1 . . . . . 205 GLU C . 51411 1 725 . 1 . 1 187 187 GLU CA C 13 55.12 0.24 . 1 . . . . . 205 GLU CA . 51411 1 726 . 1 . 1 187 187 GLU CB C 13 26.16 0.04 . 1 . . . . . 205 GLU CB . 51411 1 727 . 1 . 1 187 187 GLU N N 15 120.9 0.03 . 1 . . . . . 205 GLU N . 51411 1 728 . 1 . 1 188 188 ILE H H 1 7.452 0.00 . 1 . . . . . 206 ILE H . 51411 1 729 . 1 . 1 188 188 ILE C C 13 174.36 0.03 . 1 . . . . . 206 ILE C . 51411 1 730 . 1 . 1 188 188 ILE CA C 13 57.44 0.00 . 1 . . . . . 206 ILE CA . 51411 1 731 . 1 . 1 188 188 ILE CB C 13 37.52 0.00 . 1 . . . . . 206 ILE CB . 51411 1 732 . 1 . 1 188 188 ILE N N 15 120.1 0.06 . 1 . . . . . 206 ILE N . 51411 1 733 . 1 . 1 189 189 PHE H H 1 8.75 0.00 . 1 . . . . . 207 PHE H . 51411 1 734 . 1 . 1 189 189 PHE C C 13 172.8 0.00 . 1 . . . . . 207 PHE C . 51411 1 735 . 1 . 1 189 189 PHE CA C 13 53.22 0.03 . 1 . . . . . 207 PHE CA . 51411 1 736 . 1 . 1 189 189 PHE CB C 13 41.17 0.00 . 1 . . . . . 207 PHE CB . 51411 1 737 . 1 . 1 189 189 PHE N N 15 123.9 0.07 . 1 . . . . . 207 PHE N . 51411 1 738 . 1 . 1 190 190 TYR H H 1 9.081 0.00 . 1 . . . . . 208 TYR H . 51411 1 739 . 1 . 1 190 190 TYR C C 13 175.18 0.00 . 1 . . . . . 208 TYR C . 51411 1 740 . 1 . 1 190 190 TYR CA C 13 53.35 0.08 . 1 . . . . . 208 TYR CA . 51411 1 741 . 1 . 1 190 190 TYR CB C 13 36.67 0.06 . 1 . . . . . 208 TYR CB . 51411 1 742 . 1 . 1 190 190 TYR N N 15 116.9 0.02 . 1 . . . . . 208 TYR N . 51411 1 743 . 1 . 1 191 191 CYS H H 1 8.359 0.00 . 1 . . . . . 209 CYS H . 51411 1 744 . 1 . 1 191 191 CYS C C 13 172.54 0.00 . 1 . . . . . 209 CYS C . 51411 1 745 . 1 . 1 191 191 CYS CA C 13 49.84 0.06 . 1 . . . . . 209 CYS CA . 51411 1 746 . 1 . 1 191 191 CYS CB C 13 39.16 0.17 . 1 . . . . . 209 CYS CB . 51411 1 747 . 1 . 1 191 191 CYS N N 15 116.8 0.04 . 1 . . . . . 209 CYS N . 51411 1 748 . 1 . 1 192 192 THR H H 1 8.63 0.00 . 1 . . . . . 210 THR H . 51411 1 749 . 1 . 1 192 192 THR C C 13 172.83 0.00 . 1 . . . . . 210 THR C . 51411 1 750 . 1 . 1 192 192 THR CA C 13 58.12 0.07 . 1 . . . . . 210 THR CA . 51411 1 751 . 1 . 1 192 192 THR CB C 13 67.7 0.02 . 1 . . . . . 210 THR CB . 51411 1 752 . 1 . 1 192 192 THR N N 15 121 0.03 . 1 . . . . . 210 THR N . 51411 1 753 . 1 . 1 193 193 PHE H H 1 9.709 0.00 . 1 . . . . . 211 PHE H . 51411 1 754 . 1 . 1 193 193 PHE C C 13 174.62 0.00 . 1 . . . . . 211 PHE C . 51411 1 755 . 1 . 1 193 193 PHE CA C 13 53.68 0.01 . 1 . . . . . 211 PHE CA . 51411 1 756 . 1 . 1 193 193 PHE CB C 13 36.03 0.09 . 1 . . . . . 211 PHE CB . 51411 1 757 . 1 . 1 193 193 PHE N N 15 128.2 0.12 . 1 . . . . . 211 PHE N . 51411 1 758 . 1 . 1 194 194 ARG H H 1 9.172 0.01 . 1 . . . . . 212 ARG H . 51411 1 759 . 1 . 1 194 194 ARG C C 13 175.09 0.00 . 1 . . . . . 212 ARG C . 51411 1 760 . 1 . 1 194 194 ARG CA C 13 51.8 0.01 . 1 . . . . . 212 ARG CA . 51411 1 761 . 1 . 1 194 194 ARG CB C 13 29.37 0.04 . 1 . . . . . 212 ARG CB . 51411 1 762 . 1 . 1 194 194 ARG N N 15 128.6 0.09 . 1 . . . . . 212 ARG N . 51411 1 763 . 1 . 1 195 195 ARG H H 1 8.541 0.00 . 1 . . . . . 213 ARG H . 51411 1 764 . 1 . 1 195 195 ARG C C 13 174.52 0.00 . 1 . . . . . 213 ARG C . 51411 1 765 . 1 . 1 195 195 ARG CA C 13 51.79 0.03 . 1 . . . . . 213 ARG CA . 51411 1 766 . 1 . 1 195 195 ARG CB C 13 29.79 0.05 . 1 . . . . . 213 ARG CB . 51411 1 767 . 1 . 1 195 195 ARG N N 15 127.4 0.07 . 1 . . . . . 213 ARG N . 51411 1 768 . 1 . 1 196 196 LEU H H 1 8.183 0.01 . 1 . . . . . 214 LEU H . 51411 1 769 . 1 . 1 196 196 LEU C C 13 177.02 0.00 . 1 . . . . . 214 LEU C . 51411 1 770 . 1 . 1 196 196 LEU CA C 13 52.01 0.16 . 1 . . . . . 214 LEU CA . 51411 1 771 . 1 . 1 196 196 LEU CB C 13 39.47 0.12 . 1 . . . . . 214 LEU CB . 51411 1 772 . 1 . 1 196 196 LEU N N 15 121 0.04 . 1 . . . . . 214 LEU N . 51411 1 773 . 1 . 1 197 197 ASP H H 1 7.485 0.00 . 1 . . . . . 215 ASP H . 51411 1 774 . 1 . 1 197 197 ASP CA C 13 50.13 0.00 . 1 . . . . . 215 ASP CA . 51411 1 775 . 1 . 1 197 197 ASP CB C 13 38.07 0.00 . 1 . . . . . 215 ASP CB . 51411 1 776 . 1 . 1 197 197 ASP N N 15 115.4 0.05 . 1 . . . . . 215 ASP N . 51411 1 777 . 1 . 1 201 201 ASN C C 13 173.93 0.00 . 1 . . . . . 219 ASN C . 51411 1 778 . 1 . 1 201 201 ASN CA C 13 49.32 0.06 . 1 . . . . . 219 ASN CA . 51411 1 779 . 1 . 1 201 201 ASN CB C 13 39.04 0.09 . 1 . . . . . 219 ASN CB . 51411 1 780 . 1 . 1 202 202 HIS H H 1 8.311 0.01 . 1 . . . . . 220 HIS H . 51411 1 781 . 1 . 1 202 202 HIS C C 13 174.14 0.00 . 1 . . . . . 220 HIS C . 51411 1 782 . 1 . 1 202 202 HIS CA C 13 53.66 0.02 . 1 . . . . . 220 HIS CA . 51411 1 783 . 1 . 1 202 202 HIS CB C 13 30.61 0.04 . 1 . . . . . 220 HIS CB . 51411 1 784 . 1 . 1 202 202 HIS N N 15 121.4 0.05 . 1 . . . . . 220 HIS N . 51411 1 785 . 1 . 1 203 203 THR H H 1 8.722 0.00 . 1 . . . . . 221 THR H . 51411 1 786 . 1 . 1 203 203 THR C C 13 173.61 0.00 . 1 . . . . . 221 THR C . 51411 1 787 . 1 . 1 203 203 THR CA C 13 59.16 0.02 . 1 . . . . . 221 THR CA . 51411 1 788 . 1 . 1 203 203 THR CB C 13 69.06 0.09 . 1 . . . . . 221 THR CB . 51411 1 789 . 1 . 1 203 203 THR N N 15 121.4 0.03 . 1 . . . . . 221 THR N . 51411 1 790 . 1 . 1 204 204 ALA H H 1 8.768 0.00 . 1 . . . . . 222 ALA H . 51411 1 791 . 1 . 1 204 204 ALA C C 13 173.92 0.00 . 1 . . . . . 222 ALA C . 51411 1 792 . 1 . 1 204 204 ALA CA C 13 47.68 0.03 . 1 . . . . . 222 ALA CA . 51411 1 793 . 1 . 1 204 204 ALA CB C 13 18.24 0.03 . 1 . . . . . 222 ALA CB . 51411 1 794 . 1 . 1 204 204 ALA N N 15 129.8 0.09 . 1 . . . . . 222 ALA N . 51411 1 795 . 1 . 1 205 205 GLU H H 1 8.205 0.00 . 1 . . . . . 223 GLU H . 51411 1 796 . 1 . 1 205 205 GLU C C 13 174.91 0.00 . 1 . . . . . 223 GLU C . 51411 1 797 . 1 . 1 205 205 GLU CA C 13 51.92 0.07 . 1 . . . . . 223 GLU CA . 51411 1 798 . 1 . 1 205 205 GLU CB C 13 29.23 0.03 . 1 . . . . . 223 GLU CB . 51411 1 799 . 1 . 1 205 205 GLU N N 15 121.1 0.03 . 1 . . . . . 223 GLU N . 51411 1 800 . 1 . 1 206 206 LEU H H 1 9.448 0.00 . 1 . . . . . 224 LEU H . 51411 1 801 . 1 . 1 206 206 LEU C C 13 173.91 0.00 . 1 . . . . . 224 LEU C . 51411 1 802 . 1 . 1 206 206 LEU CA C 13 52.98 0.05 . 1 . . . . . 224 LEU CA . 51411 1 803 . 1 . 1 206 206 LEU CB C 13 39.78 0.06 . 1 . . . . . 224 LEU CB . 51411 1 804 . 1 . 1 206 206 LEU N N 15 131 0.1 . 1 . . . . . 224 LEU N . 51411 1 805 . 1 . 1 207 207 VAL H H 1 8.196 0.00 . 1 . . . . . 225 VAL H . 51411 1 806 . 1 . 1 207 207 VAL C C 13 176.18 0.00 . 1 . . . . . 225 VAL C . 51411 1 807 . 1 . 1 207 207 VAL CA C 13 57.05 0.09 . 1 . . . . . 225 VAL CA . 51411 1 808 . 1 . 1 207 207 VAL CB C 13 29.59 0.05 . 1 . . . . . 225 VAL CB . 51411 1 809 . 1 . 1 207 207 VAL N N 15 122.4 0.04 . 1 . . . . . 225 VAL N . 51411 1 810 . 1 . 1 208 208 ILE H H 1 8.598 0.00 . 1 . . . . . 226 ILE H . 51411 1 811 . 1 . 1 208 208 ILE CA C 13 54.17 0.00 . 1 . . . . . 226 ILE CA . 51411 1 812 . 1 . 1 208 208 ILE CB C 13 31.58 0.00 . 1 . . . . . 226 ILE CB . 51411 1 813 . 1 . 1 208 208 ILE N N 15 127.8 0.09 . 1 . . . . . 226 ILE N . 51411 1 814 . 1 . 1 209 209 PRO C C 13 176.64 0.00 . 1 . . . . . 227 PRO C . 51411 1 815 . 1 . 1 209 209 PRO CA C 13 59.36 0.06 . 1 . . . . . 227 PRO CA . 51411 1 816 . 1 . 1 209 209 PRO CB C 13 29.39 0.05 . 1 . . . . . 227 PRO CB . 51411 1 817 . 1 . 1 210 210 GLU H H 1 8.368 0.00 . 1 . . . . . 228 GLU H . 51411 1 818 . 1 . 1 210 210 GLU C C 13 176.23 0.00 . 1 . . . . . 228 GLU C . 51411 1 819 . 1 . 1 210 210 GLU CA C 13 53.97 0.07 . 1 . . . . . 228 GLU CA . 51411 1 820 . 1 . 1 210 210 GLU CB C 13 26.57 0.02 . 1 . . . . . 228 GLU CB . 51411 1 821 . 1 . 1 210 210 GLU N N 15 120.1 0.02 . 1 . . . . . 228 GLU N . 51411 1 822 . 1 . 1 211 211 LEU H H 1 8.144 0.00 . 1 . . . . . 229 LEU H . 51411 1 823 . 1 . 1 211 211 LEU CA C 13 50.44 0.00 . 1 . . . . . 229 LEU CA . 51411 1 824 . 1 . 1 211 211 LEU CB C 13 38.13 0.00 . 1 . . . . . 229 LEU CB . 51411 1 825 . 1 . 1 211 211 LEU N N 15 126.7 0.05 . 1 . . . . . 229 LEU N . 51411 1 826 . 1 . 1 212 212 PRO C C 13 176.64 0.00 . 1 . . . . . 230 PRO C . 51411 1 827 . 1 . 1 212 212 PRO CA C 13 59.36 0.00 . 1 . . . . . 230 PRO CA . 51411 1 828 . 1 . 1 212 212 PRO CB C 13 29.39 0.03 . 1 . . . . . 230 PRO CB . 51411 1 829 . 1 . 1 213 213 LEU H H 1 8.108 0.00 . 1 . . . . . 231 LEU H . 51411 1 830 . 1 . 1 213 213 LEU C C 13 176.96 0.00 . 1 . . . . . 231 LEU C . 51411 1 831 . 1 . 1 213 213 LEU CA C 13 51.93 0.00 . 1 . . . . . 231 LEU CA . 51411 1 832 . 1 . 1 213 213 LEU CB C 13 38.76 0.00 . 1 . . . . . 231 LEU CB . 51411 1 833 . 1 . 1 213 213 LEU N N 15 122.5 0.02 . 1 . . . . . 231 LEU N . 51411 1 834 . 1 . 1 214 214 ALA H H 1 8.088 0.00 . 1 . . . . . 232 ALA H . 51411 1 835 . 1 . 1 214 214 ALA N N 15 125.1 0.00 . 1 . . . . . 232 ALA N . 51411 1 836 . 1 . 1 219 219 GLU C C 13 176.1 0.00 . 1 . . . . . 237 GLU C . 51411 1 837 . 1 . 1 220 220 ARG H H 1 8.239 0.00 . 1 . . . . . 238 ARG H . 51411 1 838 . 1 . 1 220 220 ARG C C 13 175.62 0.00 . 1 . . . . . 238 ARG C . 51411 1 839 . 1 . 1 220 220 ARG CA C 13 53.03 0.03 . 1 . . . . . 238 ARG CA . 51411 1 840 . 1 . 1 220 220 ARG CB C 13 27.13 0.00 . 1 . . . . . 238 ARG CB . 51411 1 841 . 1 . 1 220 220 ARG N N 15 122.6 0.00 . 1 . . . . . 238 ARG N . 51411 1 842 . 1 . 1 221 221 THR H H 1 7.715 0.00 . 1 . . . . . 239 THR H . 51411 1 843 . 1 . 1 221 221 THR CA C 13 60.19 0.00 . 1 . . . . . 239 THR CA . 51411 1 844 . 1 . 1 221 221 THR CB C 13 67.59 0.00 . 1 . . . . . 239 THR CB . 51411 1 845 . 1 . 1 221 221 THR N N 15 121.1 0.03 . 1 . . . . . 239 THR N . 51411 1 stop_ save_