data_52200 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52200 _Entry.Title ; ModA - molybdate binding protein at two pHs (data with bound molybdate) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-11-02 _Entry.Accession_date 2023-11-02 _Entry.Last_release_date 2023-11-03 _Entry.Original_release_date 2023-11-03 _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 Hiep Nguyen . L.D. . . 52200 2 Karin Crowhurst . A. . 0000-0002-7808-6305 52200 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'California State University Northridge' . 52200 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 52200 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1112 52200 '15N chemical shifts' 450 52200 '1H chemical shifts' 461 52200 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 . . 2024-05-10 2023-11-02 update BMRB 'update entry citation' 52200 1 . . 2024-04-23 2023-11-02 original author 'original release' 52200 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52193 'ModA - molybdate binding protein at two pHs (data of the apo form)' 52200 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52200 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38642264 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Solution NMR chemical shift assignment of apo and molybdate-bound ModA at two pHs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 1 _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 93 _Citation.Page_last 98 _Citation.Year 2024 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hiep Nguyen . L.D. . . 52200 1 2 Karin Crowhurst . A. . . 52200 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52200 _Assembly.ID 1 _Assembly.Name ModA-molybdate _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 28915 _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 ModA 1 $entity_1 . . yes native no no . . . 52200 1 2 Molybdate 2 $entity_MOO . . no native no no . . . 52200 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 7T51 . . X-ray 2.5 . . 52200 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52200 _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 ; DEGKITVFAAASLTNAMQDI ATQFKKEKGVDVVSSFASSS TLARQIEAGAPADLFISADQ KWMDYAVDKKAIDTATRQTL LGNSLVVVAPKASVQKDFTI DSKTNWTSLLNGGRLAVGDP EHVPAGIYAKEALQKLGAWD TLSPKLAPAEDVRGALALVE RNEAPLGIVYGSDAVASKGV KVVATFPEDSHKKVEYPVAV VEGHNNATVKAFYDYLKGPQ AAEIFKRYGFTIK ; _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 233 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 UNP P37329 . MODA_ECOLI . . . . . . . . . . . . . . 52200 1 2 yes GB CAD6018812.1 . 'modA [Escherichia coli]' . . . . . . . . . . . . . . 52200 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Part of the ABC transporter complex (ModABC) involved in the transport of molybdenum from the periplasm to the cytoplasm in gram-negative bacteria. ; 52200 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 . ASP . 52200 1 2 . GLU . 52200 1 3 . GLY . 52200 1 4 . LYS . 52200 1 5 . ILE . 52200 1 6 . THR . 52200 1 7 . VAL . 52200 1 8 . PHE . 52200 1 9 . ALA . 52200 1 10 . ALA . 52200 1 11 . ALA . 52200 1 12 . SER . 52200 1 13 . LEU . 52200 1 14 . THR . 52200 1 15 . ASN . 52200 1 16 . ALA . 52200 1 17 . MET . 52200 1 18 . GLN . 52200 1 19 . ASP . 52200 1 20 . ILE . 52200 1 21 . ALA . 52200 1 22 . THR . 52200 1 23 . GLN . 52200 1 24 . PHE . 52200 1 25 . LYS . 52200 1 26 . LYS . 52200 1 27 . GLU . 52200 1 28 . LYS . 52200 1 29 . GLY . 52200 1 30 . VAL . 52200 1 31 . ASP . 52200 1 32 . VAL . 52200 1 33 . VAL . 52200 1 34 . SER . 52200 1 35 . SER . 52200 1 36 . PHE . 52200 1 37 . ALA . 52200 1 38 . SER . 52200 1 39 . SER . 52200 1 40 . SER . 52200 1 41 . THR . 52200 1 42 . LEU . 52200 1 43 . ALA . 52200 1 44 . ARG . 52200 1 45 . GLN . 52200 1 46 . ILE . 52200 1 47 . GLU . 52200 1 48 . ALA . 52200 1 49 . GLY . 52200 1 50 . ALA . 52200 1 51 . PRO . 52200 1 52 . ALA . 52200 1 53 . ASP . 52200 1 54 . LEU . 52200 1 55 . PHE . 52200 1 56 . ILE . 52200 1 57 . SER . 52200 1 58 . ALA . 52200 1 59 . ASP . 52200 1 60 . GLN . 52200 1 61 . LYS . 52200 1 62 . TRP . 52200 1 63 . MET . 52200 1 64 . ASP . 52200 1 65 . TYR . 52200 1 66 . ALA . 52200 1 67 . VAL . 52200 1 68 . ASP . 52200 1 69 . LYS . 52200 1 70 . LYS . 52200 1 71 . ALA . 52200 1 72 . ILE . 52200 1 73 . ASP . 52200 1 74 . THR . 52200 1 75 . ALA . 52200 1 76 . THR . 52200 1 77 . ARG . 52200 1 78 . GLN . 52200 1 79 . THR . 52200 1 80 . LEU . 52200 1 81 . LEU . 52200 1 82 . GLY . 52200 1 83 . ASN . 52200 1 84 . SER . 52200 1 85 . LEU . 52200 1 86 . VAL . 52200 1 87 . VAL . 52200 1 88 . VAL . 52200 1 89 . ALA . 52200 1 90 . PRO . 52200 1 91 . LYS . 52200 1 92 . ALA . 52200 1 93 . SER . 52200 1 94 . VAL . 52200 1 95 . GLN . 52200 1 96 . LYS . 52200 1 97 . ASP . 52200 1 98 . PHE . 52200 1 99 . THR . 52200 1 100 . ILE . 52200 1 101 . ASP . 52200 1 102 . SER . 52200 1 103 . LYS . 52200 1 104 . THR . 52200 1 105 . ASN . 52200 1 106 . TRP . 52200 1 107 . THR . 52200 1 108 . SER . 52200 1 109 . LEU . 52200 1 110 . LEU . 52200 1 111 . ASN . 52200 1 112 . GLY . 52200 1 113 . GLY . 52200 1 114 . ARG . 52200 1 115 . LEU . 52200 1 116 . ALA . 52200 1 117 . VAL . 52200 1 118 . GLY . 52200 1 119 . ASP . 52200 1 120 . PRO . 52200 1 121 . GLU . 52200 1 122 . HIS . 52200 1 123 . VAL . 52200 1 124 . PRO . 52200 1 125 . ALA . 52200 1 126 . GLY . 52200 1 127 . ILE . 52200 1 128 . TYR . 52200 1 129 . ALA . 52200 1 130 . LYS . 52200 1 131 . GLU . 52200 1 132 . ALA . 52200 1 133 . LEU . 52200 1 134 . GLN . 52200 1 135 . LYS . 52200 1 136 . LEU . 52200 1 137 . GLY . 52200 1 138 . ALA . 52200 1 139 . TRP . 52200 1 140 . ASP . 52200 1 141 . THR . 52200 1 142 . LEU . 52200 1 143 . SER . 52200 1 144 . PRO . 52200 1 145 . LYS . 52200 1 146 . LEU . 52200 1 147 . ALA . 52200 1 148 . PRO . 52200 1 149 . ALA . 52200 1 150 . GLU . 52200 1 151 . ASP . 52200 1 152 . VAL . 52200 1 153 . ARG . 52200 1 154 . GLY . 52200 1 155 . ALA . 52200 1 156 . LEU . 52200 1 157 . ALA . 52200 1 158 . LEU . 52200 1 159 . VAL . 52200 1 160 . GLU . 52200 1 161 . ARG . 52200 1 162 . ASN . 52200 1 163 . GLU . 52200 1 164 . ALA . 52200 1 165 . PRO . 52200 1 166 . LEU . 52200 1 167 . GLY . 52200 1 168 . ILE . 52200 1 169 . VAL . 52200 1 170 . TYR . 52200 1 171 . GLY . 52200 1 172 . SER . 52200 1 173 . ASP . 52200 1 174 . ALA . 52200 1 175 . VAL . 52200 1 176 . ALA . 52200 1 177 . SER . 52200 1 178 . LYS . 52200 1 179 . GLY . 52200 1 180 . VAL . 52200 1 181 . LYS . 52200 1 182 . VAL . 52200 1 183 . VAL . 52200 1 184 . ALA . 52200 1 185 . THR . 52200 1 186 . PHE . 52200 1 187 . PRO . 52200 1 188 . GLU . 52200 1 189 . ASP . 52200 1 190 . SER . 52200 1 191 . HIS . 52200 1 192 . LYS . 52200 1 193 . LYS . 52200 1 194 . VAL . 52200 1 195 . GLU . 52200 1 196 . TYR . 52200 1 197 . PRO . 52200 1 198 . VAL . 52200 1 199 . ALA . 52200 1 200 . VAL . 52200 1 201 . VAL . 52200 1 202 . GLU . 52200 1 203 . GLY . 52200 1 204 . HIS . 52200 1 205 . ASN . 52200 1 206 . ASN . 52200 1 207 . ALA . 52200 1 208 . THR . 52200 1 209 . VAL . 52200 1 210 . LYS . 52200 1 211 . ALA . 52200 1 212 . PHE . 52200 1 213 . TYR . 52200 1 214 . ASP . 52200 1 215 . TYR . 52200 1 216 . LEU . 52200 1 217 . LYS . 52200 1 218 . GLY . 52200 1 219 . PRO . 52200 1 220 . GLN . 52200 1 221 . ALA . 52200 1 222 . ALA . 52200 1 223 . GLU . 52200 1 224 . ILE . 52200 1 225 . PHE . 52200 1 226 . LYS . 52200 1 227 . ARG . 52200 1 228 . TYR . 52200 1 229 . GLY . 52200 1 230 . PHE . 52200 1 231 . THR . 52200 1 232 . ILE . 52200 1 233 . LYS . 52200 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 . ASP 1 1 52200 1 . GLU 2 2 52200 1 . GLY 3 3 52200 1 . LYS 4 4 52200 1 . ILE 5 5 52200 1 . THR 6 6 52200 1 . VAL 7 7 52200 1 . PHE 8 8 52200 1 . ALA 9 9 52200 1 . ALA 10 10 52200 1 . ALA 11 11 52200 1 . SER 12 12 52200 1 . LEU 13 13 52200 1 . THR 14 14 52200 1 . ASN 15 15 52200 1 . ALA 16 16 52200 1 . MET 17 17 52200 1 . GLN 18 18 52200 1 . ASP 19 19 52200 1 . ILE 20 20 52200 1 . ALA 21 21 52200 1 . THR 22 22 52200 1 . GLN 23 23 52200 1 . PHE 24 24 52200 1 . LYS 25 25 52200 1 . LYS 26 26 52200 1 . GLU 27 27 52200 1 . LYS 28 28 52200 1 . GLY 29 29 52200 1 . VAL 30 30 52200 1 . ASP 31 31 52200 1 . VAL 32 32 52200 1 . VAL 33 33 52200 1 . SER 34 34 52200 1 . SER 35 35 52200 1 . PHE 36 36 52200 1 . ALA 37 37 52200 1 . SER 38 38 52200 1 . SER 39 39 52200 1 . SER 40 40 52200 1 . THR 41 41 52200 1 . LEU 42 42 52200 1 . ALA 43 43 52200 1 . ARG 44 44 52200 1 . GLN 45 45 52200 1 . ILE 46 46 52200 1 . GLU 47 47 52200 1 . ALA 48 48 52200 1 . GLY 49 49 52200 1 . ALA 50 50 52200 1 . PRO 51 51 52200 1 . ALA 52 52 52200 1 . ASP 53 53 52200 1 . LEU 54 54 52200 1 . PHE 55 55 52200 1 . ILE 56 56 52200 1 . SER 57 57 52200 1 . ALA 58 58 52200 1 . ASP 59 59 52200 1 . GLN 60 60 52200 1 . LYS 61 61 52200 1 . TRP 62 62 52200 1 . MET 63 63 52200 1 . ASP 64 64 52200 1 . TYR 65 65 52200 1 . ALA 66 66 52200 1 . VAL 67 67 52200 1 . ASP 68 68 52200 1 . LYS 69 69 52200 1 . LYS 70 70 52200 1 . ALA 71 71 52200 1 . ILE 72 72 52200 1 . ASP 73 73 52200 1 . THR 74 74 52200 1 . ALA 75 75 52200 1 . THR 76 76 52200 1 . ARG 77 77 52200 1 . GLN 78 78 52200 1 . THR 79 79 52200 1 . LEU 80 80 52200 1 . LEU 81 81 52200 1 . GLY 82 82 52200 1 . ASN 83 83 52200 1 . SER 84 84 52200 1 . LEU 85 85 52200 1 . VAL 86 86 52200 1 . VAL 87 87 52200 1 . VAL 88 88 52200 1 . ALA 89 89 52200 1 . PRO 90 90 52200 1 . LYS 91 91 52200 1 . ALA 92 92 52200 1 . SER 93 93 52200 1 . VAL 94 94 52200 1 . GLN 95 95 52200 1 . LYS 96 96 52200 1 . ASP 97 97 52200 1 . PHE 98 98 52200 1 . THR 99 99 52200 1 . ILE 100 100 52200 1 . ASP 101 101 52200 1 . SER 102 102 52200 1 . LYS 103 103 52200 1 . THR 104 104 52200 1 . ASN 105 105 52200 1 . TRP 106 106 52200 1 . THR 107 107 52200 1 . SER 108 108 52200 1 . LEU 109 109 52200 1 . LEU 110 110 52200 1 . ASN 111 111 52200 1 . GLY 112 112 52200 1 . GLY 113 113 52200 1 . ARG 114 114 52200 1 . LEU 115 115 52200 1 . ALA 116 116 52200 1 . VAL 117 117 52200 1 . GLY 118 118 52200 1 . ASP 119 119 52200 1 . PRO 120 120 52200 1 . GLU 121 121 52200 1 . HIS 122 122 52200 1 . VAL 123 123 52200 1 . PRO 124 124 52200 1 . ALA 125 125 52200 1 . GLY 126 126 52200 1 . ILE 127 127 52200 1 . TYR 128 128 52200 1 . ALA 129 129 52200 1 . LYS 130 130 52200 1 . GLU 131 131 52200 1 . ALA 132 132 52200 1 . LEU 133 133 52200 1 . GLN 134 134 52200 1 . LYS 135 135 52200 1 . LEU 136 136 52200 1 . GLY 137 137 52200 1 . ALA 138 138 52200 1 . TRP 139 139 52200 1 . ASP 140 140 52200 1 . THR 141 141 52200 1 . LEU 142 142 52200 1 . SER 143 143 52200 1 . PRO 144 144 52200 1 . LYS 145 145 52200 1 . LEU 146 146 52200 1 . ALA 147 147 52200 1 . PRO 148 148 52200 1 . ALA 149 149 52200 1 . GLU 150 150 52200 1 . ASP 151 151 52200 1 . VAL 152 152 52200 1 . ARG 153 153 52200 1 . GLY 154 154 52200 1 . ALA 155 155 52200 1 . LEU 156 156 52200 1 . ALA 157 157 52200 1 . LEU 158 158 52200 1 . VAL 159 159 52200 1 . GLU 160 160 52200 1 . ARG 161 161 52200 1 . ASN 162 162 52200 1 . GLU 163 163 52200 1 . ALA 164 164 52200 1 . PRO 165 165 52200 1 . LEU 166 166 52200 1 . GLY 167 167 52200 1 . ILE 168 168 52200 1 . VAL 169 169 52200 1 . TYR 170 170 52200 1 . GLY 171 171 52200 1 . SER 172 172 52200 1 . ASP 173 173 52200 1 . ALA 174 174 52200 1 . VAL 175 175 52200 1 . ALA 176 176 52200 1 . SER 177 177 52200 1 . LYS 178 178 52200 1 . GLY 179 179 52200 1 . VAL 180 180 52200 1 . LYS 181 181 52200 1 . VAL 182 182 52200 1 . VAL 183 183 52200 1 . ALA 184 184 52200 1 . THR 185 185 52200 1 . PHE 186 186 52200 1 . PRO 187 187 52200 1 . GLU 188 188 52200 1 . ASP 189 189 52200 1 . SER 190 190 52200 1 . HIS 191 191 52200 1 . LYS 192 192 52200 1 . LYS 193 193 52200 1 . VAL 194 194 52200 1 . GLU 195 195 52200 1 . TYR 196 196 52200 1 . PRO 197 197 52200 1 . VAL 198 198 52200 1 . ALA 199 199 52200 1 . VAL 200 200 52200 1 . VAL 201 201 52200 1 . GLU 202 202 52200 1 . GLY 203 203 52200 1 . HIS 204 204 52200 1 . ASN 205 205 52200 1 . ASN 206 206 52200 1 . ALA 207 207 52200 1 . THR 208 208 52200 1 . VAL 209 209 52200 1 . LYS 210 210 52200 1 . ALA 211 211 52200 1 . PHE 212 212 52200 1 . TYR 213 213 52200 1 . ASP 214 214 52200 1 . TYR 215 215 52200 1 . LEU 216 216 52200 1 . LYS 217 217 52200 1 . GLY 218 218 52200 1 . PRO 219 219 52200 1 . GLN 220 220 52200 1 . ALA 221 221 52200 1 . ALA 222 222 52200 1 . GLU 223 223 52200 1 . ILE 224 224 52200 1 . PHE 225 225 52200 1 . LYS 226 226 52200 1 . ARG 227 227 52200 1 . TYR 228 228 52200 1 . GLY 229 229 52200 1 . PHE 230 230 52200 1 . THR 231 231 52200 1 . ILE 232 232 52200 1 . LYS 233 233 52200 1 stop_ save_ save_entity_MOO _Entity.Sf_category entity _Entity.Sf_framecode entity_MOO _Entity.Entry_ID 52200 _Entity.ID 2 _Entity.BMRB_code MOO _Entity.Name entity_MOO _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MOO _Entity.Nonpolymer_comp_label $chem_comp_MOO _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 159.938 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MOLYBDATE ION' BMRB 52200 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MOLYBDATE ION' BMRB 52200 2 MOO 'Three letter code' 52200 2 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 1 MOO $chem_comp_MOO 52200 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52200 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 52200 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 52200 _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 . . pET11a . . . 52200 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MOO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MOO _Chem_comp.Entry_ID 52200 _Chem_comp.ID MOO _Chem_comp.Provenance PDB _Chem_comp.Name 'MOLYBDATE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MOO _Chem_comp.PDB_code MOO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MOO _Chem_comp.Number_atoms_all 5 _Chem_comp.Number_atoms_nh 5 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mo.4O/q;;;2*-1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms MOLYBDATE _Chem_comp.Formal_charge -2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Mo O4' _Chem_comp.Formula_weight 159.938 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1AMF _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mo.4O/q;;;2*-1 InChI InChI 1.03 52200 MOO MEFBJEMVZONFCJ-UHFFFAOYSA-N InChIKey InChI 1.03 52200 MOO [O-][Mo](=O)(=O)[O-] SMILES 'OpenEye OEToolkits' 1.5.0 52200 MOO [O-][Mo](=O)(=O)[O-] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 52200 MOO [O-][Mo]([O-])(=O)=O SMILES ACDLabs 10.04 52200 MOO [O-][Mo]([O-])(=O)=O SMILES CACTVS 3.341 52200 MOO [O-][Mo]([O-])(=O)=O SMILES_CANONICAL CACTVS 3.341 52200 MOO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID dioxido(dioxo)molybdenum 'SYSTEMATIC NAME' ACDLabs 10.04 52200 MOO dioxido-dioxo-molybdenum 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 52200 MOO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MO MO MO MO . MO . . N 0 . . . 0 N N . . . . 34.327 . 35.344 . 29.539 . . . . 1 . 52200 MOO O1 O1 O1 O1 . O . . N 0 . . . 1 N N . . . . 33.586 . 34.309 . 30.657 . . . . 2 . 52200 MOO O2 O2 O2 O2 . O . . N 0 . . . 1 N N . . . . 35.790 . 35.950 . 30.202 . . . . 3 . 52200 MOO O3 O3 O3 O3 . O . . N -1 . . . 1 N N . . . . 33.430 . 36.745 . 29.197 . . . . 4 . 52200 MOO O4 O4 O4 O4 . O . . N -1 . . . 1 N N . . . . 34.664 . 34.442 . 28.120 . . . . 5 . 52200 MOO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB MO O1 N N 1 . 52200 MOO 2 . DOUB MO O2 N N 2 . 52200 MOO 3 . SING MO O3 N N 3 . 52200 MOO 4 . SING MO O4 N N 4 . 52200 MOO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52200 _Sample.ID 1 _Sample.Name ModA _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ModA '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 52200 1 2 molybdate 'natural abundance' . . 2 $entity_MOO . . 2 . . mM . . . . 52200 1 3 citrate 'natural abundance' . . . . . . 50 . . mM . . . . 52200 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 52200 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'ModA-molybdate at pH 6' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.052 . M 52200 1 pH 6 . pH 52200 1 pressure 1 . atm 52200 1 temperature 298 . K 52200 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 52200 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'ModA-molybdate at pH 4.5' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.052 . M 52200 2 pH 4.5 . pH 52200 2 pressure 1 . atm 52200 2 temperature 298 . K 52200 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52200 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52200 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52200 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52200 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52200 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version 9.2.0-b27 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52200 3 'data analysis' . 52200 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52200 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Agnes _NMR_spectrometer.Details 'Triple resonance room temperature probe' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52200 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 4 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 5 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 6 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 7 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 1 8 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52200 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 52200 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'ModA reference set' _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 0.00 na indirect 0.251449530 . . . . . 52200 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52200 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52200 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 52200 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ModA-molybdate at pH 6' _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 HSQC' . . . 52200 1 2 '3D CBCA(CO)NH' . . . 52200 1 3 '3D HNCACB' . . . 52200 1 4 '3D HNCO' . . . 52200 1 5 '3D HN(CA)CO' . . . 52200 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 . . 52200 1 2 $software_2 . . 52200 1 3 $software_3 . . 52200 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 ASP C C 13 172.4 0 . 1 . . . . . 1 ASP C . 52200 1 2 . 1 . 1 1 1 ASP CA C 13 53.49 0 . 1 . . . . . 1 ASP CA . 52200 1 3 . 1 . 1 1 1 ASP CB C 13 40.1 0 . 1 . . . . . 1 ASP CB . 52200 1 4 . 1 . 1 2 2 GLU H H 1 8.8109 0 . 1 . . . . . 2 GLU H . 52200 1 5 . 1 . 1 2 2 GLU C C 13 176.56 0 . 1 . . . . . 2 GLU C . 52200 1 6 . 1 . 1 2 2 GLU CA C 13 56.52 0 . 1 . . . . . 2 GLU CA . 52200 1 7 . 1 . 1 2 2 GLU CB C 13 30.48 0 . 1 . . . . . 2 GLU CB . 52200 1 8 . 1 . 1 2 2 GLU N N 15 121.5 0 . 1 . . . . . 2 GLU N . 52200 1 9 . 1 . 1 3 3 GLY H H 1 8.6561 0 . 1 . . . . . 3 GLY H . 52200 1 10 . 1 . 1 3 3 GLY C C 13 172.72 0 . 1 . . . . . 3 GLY C . 52200 1 11 . 1 . 1 3 3 GLY CA C 13 45.47 0 . 1 . . . . . 3 GLY CA . 52200 1 12 . 1 . 1 3 3 GLY N N 15 110.14 0 . 1 . . . . . 3 GLY N . 52200 1 13 . 1 . 1 4 4 LYS H H 1 7.8516 0 . 1 . . . . . 4 LYS H . 52200 1 14 . 1 . 1 4 4 LYS C C 13 174.81 0 . 1 . . . . . 4 LYS C . 52200 1 15 . 1 . 1 4 4 LYS CA C 13 54.78 0 . 1 . . . . . 4 LYS CA . 52200 1 16 . 1 . 1 4 4 LYS CB C 13 35.52 0 . 1 . . . . . 4 LYS CB . 52200 1 17 . 1 . 1 4 4 LYS N N 15 120.54 0 . 1 . . . . . 4 LYS N . 52200 1 18 . 1 . 1 5 5 ILE H H 1 8.4041 0 . 1 . . . . . 5 ILE H . 52200 1 19 . 1 . 1 5 5 ILE C C 13 174.26 0 . 1 . . . . . 5 ILE C . 52200 1 20 . 1 . 1 5 5 ILE CA C 13 59.52 0 . 1 . . . . . 5 ILE CA . 52200 1 21 . 1 . 1 5 5 ILE CB C 13 41.74 0 . 1 . . . . . 5 ILE CB . 52200 1 22 . 1 . 1 5 5 ILE N N 15 123.21 0 . 1 . . . . . 5 ILE N . 52200 1 23 . 1 . 1 6 6 THR H H 1 9.837 0 . 1 . . . . . 6 THR H . 52200 1 24 . 1 . 1 6 6 THR C C 13 174.42 0 . 1 . . . . . 6 THR C . 52200 1 25 . 1 . 1 6 6 THR CA C 13 61.4 0 . 1 . . . . . 6 THR CA . 52200 1 26 . 1 . 1 6 6 THR CB C 13 69.61 0 . 1 . . . . . 6 THR CB . 52200 1 27 . 1 . 1 6 6 THR N N 15 124.11 0 . 1 . . . . . 6 THR N . 52200 1 28 . 1 . 1 7 7 VAL H H 1 9.269 0 . 1 . . . . . 7 VAL H . 52200 1 29 . 1 . 1 7 7 VAL C C 13 173.16 0 . 1 . . . . . 7 VAL C . 52200 1 30 . 1 . 1 7 7 VAL CA C 13 60.52 0 . 1 . . . . . 7 VAL CA . 52200 1 31 . 1 . 1 7 7 VAL CB C 13 34.63 0 . 1 . . . . . 7 VAL CB . 52200 1 32 . 1 . 1 7 7 VAL N N 15 129.65 0 . 1 . . . . . 7 VAL N . 52200 1 33 . 1 . 1 8 8 PHE H H 1 8.937 0 . 1 . . . . . 8 PHE H . 52200 1 34 . 1 . 1 8 8 PHE C C 13 173.19 0 . 1 . . . . . 8 PHE C . 52200 1 35 . 1 . 1 8 8 PHE CA C 13 54.01 0 . 1 . . . . . 8 PHE CA . 52200 1 36 . 1 . 1 8 8 PHE CB C 13 38.49 0 . 1 . . . . . 8 PHE CB . 52200 1 37 . 1 . 1 8 8 PHE N N 15 131.06 0 . 1 . . . . . 8 PHE N . 52200 1 38 . 1 . 1 9 9 ALA H H 1 8.8435 0 . 1 . . . . . 9 ALA H . 52200 1 39 . 1 . 1 9 9 ALA C C 13 173.1 0 . 1 . . . . . 9 ALA C . 52200 1 40 . 1 . 1 9 9 ALA CA C 13 49.5 0 . 1 . . . . . 9 ALA CA . 52200 1 41 . 1 . 1 9 9 ALA CB C 13 22.99 0 . 1 . . . . . 9 ALA CB . 52200 1 42 . 1 . 1 9 9 ALA N N 15 128.25 0 . 1 . . . . . 9 ALA N . 52200 1 43 . 1 . 1 10 10 ALA H H 1 7.6894 0 . 1 . . . . . 10 ALA H . 52200 1 44 . 1 . 1 10 10 ALA C C 13 179.09 0 . 1 . . . . . 10 ALA C . 52200 1 45 . 1 . 1 10 10 ALA CA C 13 52.64 0 . 1 . . . . . 10 ALA CA . 52200 1 46 . 1 . 1 10 10 ALA CB C 13 20.8 0 . 1 . . . . . 10 ALA CB . 52200 1 47 . 1 . 1 10 10 ALA N N 15 123.85 0 . 1 . . . . . 10 ALA N . 52200 1 48 . 1 . 1 11 11 ALA H H 1 7.9069 0 . 1 . . . . . 11 ALA H . 52200 1 49 . 1 . 1 11 11 ALA C C 13 179.41 0 . 1 . . . . . 11 ALA C . 52200 1 50 . 1 . 1 11 11 ALA CA C 13 55.83 0 . 1 . . . . . 11 ALA CA . 52200 1 51 . 1 . 1 11 11 ALA CB C 13 19.06 0 . 1 . . . . . 11 ALA CB . 52200 1 52 . 1 . 1 11 11 ALA N N 15 125.3 0 . 1 . . . . . 11 ALA N . 52200 1 53 . 1 . 1 12 12 SER H H 1 9.8382 0 . 1 . . . . . 12 SER H . 52200 1 54 . 1 . 1 12 12 SER C C 13 177.29 0 . 1 . . . . . 12 SER C . 52200 1 55 . 1 . 1 12 12 SER CA C 13 60.03 0 . 1 . . . . . 12 SER CA . 52200 1 56 . 1 . 1 12 12 SER CB C 13 63.49 0 . 1 . . . . . 12 SER CB . 52200 1 57 . 1 . 1 12 12 SER N N 15 113.31 0 . 1 . . . . . 12 SER N . 52200 1 58 . 1 . 1 13 13 LEU H H 1 9.3216 0 . 1 . . . . . 13 LEU H . 52200 1 59 . 1 . 1 13 13 LEU C C 13 174.87 0 . 1 . . . . . 13 LEU C . 52200 1 60 . 1 . 1 13 13 LEU CA C 13 55.53 0 . 1 . . . . . 13 LEU CA . 52200 1 61 . 1 . 1 13 13 LEU CB C 13 42.41 0 . 1 . . . . . 13 LEU CB . 52200 1 62 . 1 . 1 13 13 LEU N N 15 125.48 0 . 1 . . . . . 13 LEU N . 52200 1 63 . 1 . 1 14 14 THR H H 1 7.2488 0 . 1 . . . . . 14 THR H . 52200 1 64 . 1 . 1 14 14 THR C C 13 172.98 0 . 1 . . . . . 14 THR C . 52200 1 65 . 1 . 1 14 14 THR CA C 13 65.93 0 . 1 . . . . . 14 THR CA . 52200 1 66 . 1 . 1 14 14 THR CB C 13 70.03 0 . 1 . . . . . 14 THR CB . 52200 1 67 . 1 . 1 14 14 THR N N 15 115.61 0 . 1 . . . . . 14 THR N . 52200 1 68 . 1 . 1 15 15 ASN H H 1 7.1068 0 . 1 . . . . . 15 ASN H . 52200 1 69 . 1 . 1 15 15 ASN C C 13 176.41 0 . 1 . . . . . 15 ASN C . 52200 1 70 . 1 . 1 15 15 ASN CA C 13 56.99 0 . 1 . . . . . 15 ASN CA . 52200 1 71 . 1 . 1 15 15 ASN CB C 13 38.86 0 . 1 . . . . . 15 ASN CB . 52200 1 72 . 1 . 1 15 15 ASN N N 15 116.36 0 . 1 . . . . . 15 ASN N . 52200 1 73 . 1 . 1 16 16 ALA H H 1 7.7796 0 . 1 . . . . . 16 ALA H . 52200 1 74 . 1 . 1 16 16 ALA C C 13 179.07 0 . 1 . . . . . 16 ALA C . 52200 1 75 . 1 . 1 16 16 ALA CA C 13 54.79 0 . 1 . . . . . 16 ALA CA . 52200 1 76 . 1 . 1 16 16 ALA CB C 13 18.7 0 . 1 . . . . . 16 ALA CB . 52200 1 77 . 1 . 1 16 16 ALA N N 15 120.66 0 . 1 . . . . . 16 ALA N . 52200 1 78 . 1 . 1 17 17 MET H H 1 8.663 0 . 1 . . . . . 17 MET H . 52200 1 79 . 1 . 1 17 17 MET C C 13 179.1 0 . 1 . . . . . 17 MET C . 52200 1 80 . 1 . 1 17 17 MET CA C 13 55.19 0 . 1 . . . . . 17 MET CA . 52200 1 81 . 1 . 1 17 17 MET CB C 13 29.46 0 . 1 . . . . . 17 MET CB . 52200 1 82 . 1 . 1 17 17 MET N N 15 113.13 0 . 1 . . . . . 17 MET N . 52200 1 83 . 1 . 1 18 18 GLN H H 1 7.7281 0 . 1 . . . . . 18 GLN H . 52200 1 84 . 1 . 1 18 18 GLN HE21 H 1 6.8611 0 . 2 . . . . . 18 GLN HE21 . 52200 1 85 . 1 . 1 18 18 GLN HE22 H 1 7.2842 0 . 2 . . . . . 18 GLN HE22 . 52200 1 86 . 1 . 1 18 18 GLN C C 13 178.64 0 . 1 . . . . . 18 GLN C . 52200 1 87 . 1 . 1 18 18 GLN CA C 13 59.48 0 . 1 . . . . . 18 GLN CA . 52200 1 88 . 1 . 1 18 18 GLN CB C 13 28.49 0 . 1 . . . . . 18 GLN CB . 52200 1 89 . 1 . 1 18 18 GLN N N 15 120.52 0 . 1 . . . . . 18 GLN N . 52200 1 90 . 1 . 1 18 18 GLN NE2 N 15 111.555 0 . 1 . . . . . 18 GLN NE2 . 52200 1 91 . 1 . 1 19 19 ASP H H 1 7.5317 0 . 1 . . . . . 19 ASP H . 52200 1 92 . 1 . 1 19 19 ASP C C 13 179.53 0 . 1 . . . . . 19 ASP C . 52200 1 93 . 1 . 1 19 19 ASP CA C 13 57.43 0 . 1 . . . . . 19 ASP CA . 52200 1 94 . 1 . 1 19 19 ASP CB C 13 40.52 0 . 1 . . . . . 19 ASP CB . 52200 1 95 . 1 . 1 19 19 ASP N N 15 121.71 0 . 1 . . . . . 19 ASP N . 52200 1 96 . 1 . 1 20 20 ILE H H 1 8.6469 0 . 1 . . . . . 20 ILE H . 52200 1 97 . 1 . 1 20 20 ILE C C 13 177.08 0 . 1 . . . . . 20 ILE C . 52200 1 98 . 1 . 1 20 20 ILE CA C 13 65.83 0 . 1 . . . . . 20 ILE CA . 52200 1 99 . 1 . 1 20 20 ILE CB C 13 38.25 0 . 1 . . . . . 20 ILE CB . 52200 1 100 . 1 . 1 20 20 ILE N N 15 124.08 0 . 1 . . . . . 20 ILE N . 52200 1 101 . 1 . 1 21 21 ALA H H 1 8.842 0 . 1 . . . . . 21 ALA H . 52200 1 102 . 1 . 1 21 21 ALA C C 13 180.58 0 . 1 . . . . . 21 ALA C . 52200 1 103 . 1 . 1 21 21 ALA CA C 13 55.98 0 . 1 . . . . . 21 ALA CA . 52200 1 104 . 1 . 1 21 21 ALA CB C 13 18.84 0 . 1 . . . . . 21 ALA CB . 52200 1 105 . 1 . 1 21 21 ALA N N 15 123.21 0 . 1 . . . . . 21 ALA N . 52200 1 106 . 1 . 1 22 22 THR H H 1 8.1886 0 . 1 . . . . . 22 THR H . 52200 1 107 . 1 . 1 22 22 THR C C 13 176.4 0 . 1 . . . . . 22 THR C . 52200 1 108 . 1 . 1 22 22 THR CA C 13 66.5 0 . 1 . . . . . 22 THR CA . 52200 1 109 . 1 . 1 22 22 THR CB C 13 68.89 0 . 1 . . . . . 22 THR CB . 52200 1 110 . 1 . 1 22 22 THR N N 15 117.16 0 . 1 . . . . . 22 THR N . 52200 1 111 . 1 . 1 23 23 GLN H H 1 8.0123 0 . 1 . . . . . 23 GLN H . 52200 1 112 . 1 . 1 23 23 GLN HE21 H 1 6.938 0 . 2 . . . . . 23 GLN HE21 . 52200 1 113 . 1 . 1 23 23 GLN HE22 H 1 7.7639 0 . 2 . . . . . 23 GLN HE22 . 52200 1 114 . 1 . 1 23 23 GLN C C 13 177.58 0 . 1 . . . . . 23 GLN C . 52200 1 115 . 1 . 1 23 23 GLN CA C 13 59.01 0 . 1 . . . . . 23 GLN CA . 52200 1 116 . 1 . 1 23 23 GLN CB C 13 28.16 0 . 1 . . . . . 23 GLN CB . 52200 1 117 . 1 . 1 23 23 GLN N N 15 123.73 0 . 1 . . . . . 23 GLN N . 52200 1 118 . 1 . 1 23 23 GLN NE2 N 15 113.0467 0 . 1 . . . . . 23 GLN NE2 . 52200 1 119 . 1 . 1 24 24 PHE H H 1 9.2134 0 . 1 . . . . . 24 PHE H . 52200 1 120 . 1 . 1 24 24 PHE C C 13 177.44 0 . 1 . . . . . 24 PHE C . 52200 1 121 . 1 . 1 24 24 PHE CA C 13 62.11 0 . 1 . . . . . 24 PHE CA . 52200 1 122 . 1 . 1 24 24 PHE CB C 13 39.98 0 . 1 . . . . . 24 PHE CB . 52200 1 123 . 1 . 1 24 24 PHE N N 15 121.84 0 . 1 . . . . . 24 PHE N . 52200 1 124 . 1 . 1 25 25 LYS H H 1 8.2065 0 . 1 . . . . . 25 LYS H . 52200 1 125 . 1 . 1 25 25 LYS C C 13 179.72 0 . 1 . . . . . 25 LYS C . 52200 1 126 . 1 . 1 25 25 LYS CA C 13 59.11 0 . 1 . . . . . 25 LYS CA . 52200 1 127 . 1 . 1 25 25 LYS CB C 13 32.11 0 . 1 . . . . . 25 LYS CB . 52200 1 128 . 1 . 1 25 25 LYS N N 15 120.36 0 . 1 . . . . . 25 LYS N . 52200 1 129 . 1 . 1 26 26 LYS H H 1 7.6582 0 . 1 . . . . . 26 LYS H . 52200 1 130 . 1 . 1 26 26 LYS C C 13 178.14 0 . 1 . . . . . 26 LYS C . 52200 1 131 . 1 . 1 26 26 LYS CA C 13 59.28 0 . 1 . . . . . 26 LYS CA . 52200 1 132 . 1 . 1 26 26 LYS CB C 13 32.58 0 . 1 . . . . . 26 LYS CB . 52200 1 133 . 1 . 1 26 26 LYS N N 15 120.66 0 . 1 . . . . . 26 LYS N . 52200 1 134 . 1 . 1 27 27 GLU H H 1 8.0801 0 . 1 . . . . . 27 GLU H . 52200 1 135 . 1 . 1 27 27 GLU C C 13 178.12 0 . 1 . . . . . 27 GLU C . 52200 1 136 . 1 . 1 27 27 GLU CA C 13 58.56 0 . 1 . . . . . 27 GLU CA . 52200 1 137 . 1 . 1 27 27 GLU CB C 13 31.3 0 . 1 . . . . . 27 GLU CB . 52200 1 138 . 1 . 1 27 27 GLU N N 15 116.66 0 . 1 . . . . . 27 GLU N . 52200 1 139 . 1 . 1 28 28 LYS H H 1 8.4164 0 . 1 . . . . . 28 LYS H . 52200 1 140 . 1 . 1 28 28 LYS C C 13 178.05 0 . 1 . . . . . 28 LYS C . 52200 1 141 . 1 . 1 28 28 LYS CA C 13 54.2 0 . 1 . . . . . 28 LYS CA . 52200 1 142 . 1 . 1 28 28 LYS CB C 13 33.64 0 . 1 . . . . . 28 LYS CB . 52200 1 143 . 1 . 1 28 28 LYS N N 15 115.37 0 . 1 . . . . . 28 LYS N . 52200 1 144 . 1 . 1 29 29 GLY H H 1 8.0287 0 . 1 . . . . . 29 GLY H . 52200 1 145 . 1 . 1 29 29 GLY C C 13 173.26 0 . 1 . . . . . 29 GLY C . 52200 1 146 . 1 . 1 29 29 GLY CA C 13 46.25 0 . 1 . . . . . 29 GLY CA . 52200 1 147 . 1 . 1 29 29 GLY N N 15 108.88 0 . 1 . . . . . 29 GLY N . 52200 1 148 . 1 . 1 30 30 VAL H H 1 6.0609 0 . 1 . . . . . 30 VAL H . 52200 1 149 . 1 . 1 30 30 VAL C C 13 173.49 0 . 1 . . . . . 30 VAL C . 52200 1 150 . 1 . 1 30 30 VAL CA C 13 60.85 0 . 1 . . . . . 30 VAL CA . 52200 1 151 . 1 . 1 30 30 VAL CB C 13 35.2 0 . 1 . . . . . 30 VAL CB . 52200 1 152 . 1 . 1 30 30 VAL N N 15 121.07 0 . 1 . . . . . 30 VAL N . 52200 1 153 . 1 . 1 31 31 ASP H H 1 8.1328 0 . 1 . . . . . 31 ASP H . 52200 1 154 . 1 . 1 31 31 ASP C C 13 174.09 0 . 1 . . . . . 31 ASP C . 52200 1 155 . 1 . 1 31 31 ASP CA C 13 54.79 0 . 1 . . . . . 31 ASP CA . 52200 1 156 . 1 . 1 31 31 ASP CB C 13 42.58 0 . 1 . . . . . 31 ASP CB . 52200 1 157 . 1 . 1 31 31 ASP N N 15 125.24 0 . 1 . . . . . 31 ASP N . 52200 1 158 . 1 . 1 32 32 VAL H H 1 8.1546 0 . 1 . . . . . 32 VAL H . 52200 1 159 . 1 . 1 32 32 VAL C C 13 175.57 0 . 1 . . . . . 32 VAL C . 52200 1 160 . 1 . 1 32 32 VAL CA C 13 60.88 0 . 1 . . . . . 32 VAL CA . 52200 1 161 . 1 . 1 32 32 VAL CB C 13 33.23 0 . 1 . . . . . 32 VAL CB . 52200 1 162 . 1 . 1 32 32 VAL N N 15 124.18 0 . 1 . . . . . 32 VAL N . 52200 1 163 . 1 . 1 33 33 VAL H H 1 9.356 0 . 1 . . . . . 33 VAL H . 52200 1 164 . 1 . 1 33 33 VAL C C 13 174.86 0 . 1 . . . . . 33 VAL C . 52200 1 165 . 1 . 1 33 33 VAL CA C 13 61.07 0 . 1 . . . . . 33 VAL CA . 52200 1 166 . 1 . 1 33 33 VAL CB C 13 33.2 0 . 1 . . . . . 33 VAL CB . 52200 1 167 . 1 . 1 33 33 VAL N N 15 131.44 0 . 1 . . . . . 33 VAL N . 52200 1 168 . 1 . 1 34 34 SER H H 1 8.2188 0 . 1 . . . . . 34 SER H . 52200 1 169 . 1 . 1 34 34 SER C C 13 173.93 0 . 1 . . . . . 34 SER C . 52200 1 170 . 1 . 1 34 34 SER CA C 13 56.98 0 . 1 . . . . . 34 SER CA . 52200 1 171 . 1 . 1 34 34 SER CB C 13 66.46 0 . 1 . . . . . 34 SER CB . 52200 1 172 . 1 . 1 34 34 SER N N 15 122.64 0 . 1 . . . . . 34 SER N . 52200 1 173 . 1 . 1 35 35 SER H H 1 8.4748 0 . 1 . . . . . 35 SER H . 52200 1 174 . 1 . 1 35 35 SER C C 13 171.4 0 . 1 . . . . . 35 SER C . 52200 1 175 . 1 . 1 35 35 SER CA C 13 59.5 0 . 1 . . . . . 35 SER CA . 52200 1 176 . 1 . 1 35 35 SER CB C 13 65.01 0 . 1 . . . . . 35 SER CB . 52200 1 177 . 1 . 1 35 35 SER N N 15 120.48 0 . 1 . . . . . 35 SER N . 52200 1 178 . 1 . 1 36 36 PHE H H 1 8.3363 0 . 1 . . . . . 36 PHE H . 52200 1 179 . 1 . 1 36 36 PHE C C 13 175.96 0 . 1 . . . . . 36 PHE C . 52200 1 180 . 1 . 1 36 36 PHE CA C 13 55.48 0 . 1 . . . . . 36 PHE CA . 52200 1 181 . 1 . 1 36 36 PHE CB C 13 42.62 0 . 1 . . . . . 36 PHE CB . 52200 1 182 . 1 . 1 36 36 PHE N N 15 123.02 0 . 1 . . . . . 36 PHE N . 52200 1 183 . 1 . 1 37 37 ALA H H 1 7.9692 0 . 1 . . . . . 37 ALA H . 52200 1 184 . 1 . 1 37 37 ALA C C 13 176.14 0 . 1 . . . . . 37 ALA C . 52200 1 185 . 1 . 1 37 37 ALA CA C 13 50.9 0 . 1 . . . . . 37 ALA CA . 52200 1 186 . 1 . 1 37 37 ALA CB C 13 20.71 0 . 1 . . . . . 37 ALA CB . 52200 1 187 . 1 . 1 37 37 ALA N N 15 122.94 0 . 1 . . . . . 37 ALA N . 52200 1 188 . 1 . 1 38 38 SER H H 1 8.6069 0 . 1 . . . . . 38 SER H . 52200 1 189 . 1 . 1 38 38 SER C C 13 176.92 0 . 1 . . . . . 38 SER C . 52200 1 190 . 1 . 1 38 38 SER CA C 13 58.84 0 . 1 . . . . . 38 SER CA . 52200 1 191 . 1 . 1 38 38 SER CB C 13 62.73 0 . 1 . . . . . 38 SER CB . 52200 1 192 . 1 . 1 38 38 SER N N 15 114.98 0 . 1 . . . . . 38 SER N . 52200 1 193 . 1 . 1 39 39 SER H H 1 10.4027 0 . 1 . . . . . 39 SER H . 52200 1 194 . 1 . 1 39 39 SER C C 13 174.15 0 . 1 . . . . . 39 SER C . 52200 1 195 . 1 . 1 39 39 SER CB C 13 64.13 0 . 1 . . . . . 39 SER CB . 52200 1 196 . 1 . 1 39 39 SER N N 15 126.36 0 . 1 . . . . . 39 SER N . 52200 1 197 . 1 . 1 40 40 SER H H 1 7.017 0 . 1 . . . . . 40 SER H . 52200 1 198 . 1 . 1 40 40 SER C C 13 174.86 0 . 1 . . . . . 40 SER C . 52200 1 199 . 1 . 1 40 40 SER CA C 13 57.96 0 . 1 . . . . . 40 SER CA . 52200 1 200 . 1 . 1 40 40 SER CB C 13 60.12 0 . 1 . . . . . 40 SER CB . 52200 1 201 . 1 . 1 40 40 SER N N 15 113.9 0 . 1 . . . . . 40 SER N . 52200 1 202 . 1 . 1 41 41 THR H H 1 7.1709 0 . 1 . . . . . 41 THR H . 52200 1 203 . 1 . 1 41 41 THR C C 13 176.18 0 . 1 . . . . . 41 THR C . 52200 1 204 . 1 . 1 41 41 THR CA C 13 65.14 0 . 1 . . . . . 41 THR CA . 52200 1 205 . 1 . 1 41 41 THR CB C 13 68.88 0 . 1 . . . . . 41 THR CB . 52200 1 206 . 1 . 1 41 41 THR N N 15 122.73 0 . 1 . . . . . 41 THR N . 52200 1 207 . 1 . 1 42 42 LEU H H 1 7.9635 0 . 1 . . . . . 42 LEU H . 52200 1 208 . 1 . 1 42 42 LEU C C 13 178.1 0 . 1 . . . . . 42 LEU C . 52200 1 209 . 1 . 1 42 42 LEU CA C 13 57.4 0 . 1 . . . . . 42 LEU CA . 52200 1 210 . 1 . 1 42 42 LEU CB C 13 42.89 0 . 1 . . . . . 42 LEU CB . 52200 1 211 . 1 . 1 42 42 LEU N N 15 120.31 0 . 1 . . . . . 42 LEU N . 52200 1 212 . 1 . 1 43 43 ALA H H 1 8.0991 0 . 1 . . . . . 43 ALA H . 52200 1 213 . 1 . 1 43 43 ALA C C 13 179.91 0 . 1 . . . . . 43 ALA C . 52200 1 214 . 1 . 1 43 43 ALA CA C 13 55.58 0 . 1 . . . . . 43 ALA CA . 52200 1 215 . 1 . 1 43 43 ALA CB C 13 19.91 0 . 1 . . . . . 43 ALA CB . 52200 1 216 . 1 . 1 43 43 ALA N N 15 122.79 0 . 1 . . . . . 43 ALA N . 52200 1 217 . 1 . 1 44 44 ARG H H 1 7.8872 0 . 1 . . . . . 44 ARG H . 52200 1 218 . 1 . 1 44 44 ARG C C 13 179.86 0 . 1 . . . . . 44 ARG C . 52200 1 219 . 1 . 1 44 44 ARG CA C 13 59.27 0 . 1 . . . . . 44 ARG CA . 52200 1 220 . 1 . 1 44 44 ARG CB C 13 30.02 0 . 1 . . . . . 44 ARG CB . 52200 1 221 . 1 . 1 44 44 ARG N N 15 116.91 0 . 1 . . . . . 44 ARG N . 52200 1 222 . 1 . 1 45 45 GLN H H 1 8.2002 0 . 1 . . . . . 45 GLN H . 52200 1 223 . 1 . 1 45 45 GLN HE21 H 1 6.3385 0 . 2 . . . . . 45 GLN HE21 . 52200 1 224 . 1 . 1 45 45 GLN HE22 H 1 6.8895 0 . 2 . . . . . 45 GLN HE22 . 52200 1 225 . 1 . 1 45 45 GLN C C 13 179.19 0 . 1 . . . . . 45 GLN C . 52200 1 226 . 1 . 1 45 45 GLN CA C 13 59.08 0 . 1 . . . . . 45 GLN CA . 52200 1 227 . 1 . 1 45 45 GLN CB C 13 28.53 0 . 1 . . . . . 45 GLN CB . 52200 1 228 . 1 . 1 45 45 GLN N N 15 122.18 0 . 1 . . . . . 45 GLN N . 52200 1 229 . 1 . 1 45 45 GLN NE2 N 15 108.7659 0 . 1 . . . . . 45 GLN NE2 . 52200 1 230 . 1 . 1 46 46 ILE H H 1 8.3845 0 . 1 . . . . . 46 ILE H . 52200 1 231 . 1 . 1 46 46 ILE C C 13 179.81 0 . 1 . . . . . 46 ILE C . 52200 1 232 . 1 . 1 46 46 ILE CA C 13 65.89 0 . 1 . . . . . 46 ILE CA . 52200 1 233 . 1 . 1 46 46 ILE CB C 13 37.99 0 . 1 . . . . . 46 ILE CB . 52200 1 234 . 1 . 1 46 46 ILE N N 15 122.77 0 . 1 . . . . . 46 ILE N . 52200 1 235 . 1 . 1 47 47 GLU H H 1 8.4892 0 . 1 . . . . . 47 GLU H . 52200 1 236 . 1 . 1 47 47 GLU C C 13 176.43 0 . 1 . . . . . 47 GLU C . 52200 1 237 . 1 . 1 47 47 GLU CA C 13 59.15 0 . 1 . . . . . 47 GLU CA . 52200 1 238 . 1 . 1 47 47 GLU CB C 13 29.61 0 . 1 . . . . . 47 GLU CB . 52200 1 239 . 1 . 1 47 47 GLU N N 15 124.62 0 . 1 . . . . . 47 GLU N . 52200 1 240 . 1 . 1 48 48 ALA H H 1 7.4255 0 . 1 . . . . . 48 ALA H . 52200 1 241 . 1 . 1 48 48 ALA C C 13 177.25 0 . 1 . . . . . 48 ALA C . 52200 1 242 . 1 . 1 48 48 ALA CA C 13 52.3 0 . 1 . . . . . 48 ALA CA . 52200 1 243 . 1 . 1 48 48 ALA CB C 13 18.84 0 . 1 . . . . . 48 ALA CB . 52200 1 244 . 1 . 1 48 48 ALA N N 15 119.57 0 . 1 . . . . . 48 ALA N . 52200 1 245 . 1 . 1 49 49 GLY H H 1 7.7828 0 . 1 . . . . . 49 GLY H . 52200 1 246 . 1 . 1 49 49 GLY C C 13 174.48 0 . 1 . . . . . 49 GLY C . 52200 1 247 . 1 . 1 49 49 GLY CA C 13 45.15 0 . 1 . . . . . 49 GLY CA . 52200 1 248 . 1 . 1 49 49 GLY N N 15 107.25 0 . 1 . . . . . 49 GLY N . 52200 1 249 . 1 . 1 50 50 ALA H H 1 8.21 0 . 1 . . . . . 50 ALA H . 52200 1 250 . 1 . 1 50 50 ALA C C 13 177.04 0 . 1 . . . . . 50 ALA C . 52200 1 251 . 1 . 1 50 50 ALA CA C 13 50.6 0 . 1 . . . . . 50 ALA CA . 52200 1 252 . 1 . 1 50 50 ALA CB C 13 19.2 0 . 1 . . . . . 50 ALA CB . 52200 1 253 . 1 . 1 50 50 ALA N N 15 126.32 0 . 1 . . . . . 50 ALA N . 52200 1 254 . 1 . 1 51 51 PRO C C 13 175.12 0 . 1 . . . . . 51 PRO C . 52200 1 255 . 1 . 1 51 51 PRO CA C 13 62.83 0 . 1 . . . . . 51 PRO CA . 52200 1 256 . 1 . 1 51 51 PRO CB C 13 29.61 0 . 1 . . . . . 51 PRO CB . 52200 1 257 . 1 . 1 52 52 ALA H H 1 6.7351 0 . 1 . . . . . 52 ALA H . 52200 1 258 . 1 . 1 52 52 ALA C C 13 173.99 0 . 1 . . . . . 52 ALA C . 52200 1 259 . 1 . 1 52 52 ALA CA C 13 51.66 0 . 1 . . . . . 52 ALA CA . 52200 1 260 . 1 . 1 52 52 ALA CB C 13 18.15 0 . 1 . . . . . 52 ALA CB . 52200 1 261 . 1 . 1 52 52 ALA N N 15 124.71 0 . 1 . . . . . 52 ALA N . 52200 1 262 . 1 . 1 53 53 ASP H H 1 8.44 0 . 1 . . . . . 53 ASP H . 52200 1 263 . 1 . 1 53 53 ASP C C 13 175.7 0 . 1 . . . . . 53 ASP C . 52200 1 264 . 1 . 1 53 53 ASP CA C 13 55.11 0 . 1 . . . . . 53 ASP CA . 52200 1 265 . 1 . 1 53 53 ASP CB C 13 44.53 0 . 1 . . . . . 53 ASP CB . 52200 1 266 . 1 . 1 53 53 ASP N N 15 115.28 0 . 1 . . . . . 53 ASP N . 52200 1 267 . 1 . 1 54 54 LEU H H 1 7.3912 0 . 1 . . . . . 54 LEU H . 52200 1 268 . 1 . 1 54 54 LEU C C 13 173.56 0 . 1 . . . . . 54 LEU C . 52200 1 269 . 1 . 1 54 54 LEU CA C 13 53.78 0 . 1 . . . . . 54 LEU CA . 52200 1 270 . 1 . 1 54 54 LEU CB C 13 48.32 0 . 1 . . . . . 54 LEU CB . 52200 1 271 . 1 . 1 54 54 LEU N N 15 116.74 0 . 1 . . . . . 54 LEU N . 52200 1 272 . 1 . 1 55 55 PHE H H 1 8.7962 0 . 1 . . . . . 55 PHE H . 52200 1 273 . 1 . 1 55 55 PHE C C 13 173.42 0 . 1 . . . . . 55 PHE C . 52200 1 274 . 1 . 1 55 55 PHE CA C 13 52.43 0 . 1 . . . . . 55 PHE CA . 52200 1 275 . 1 . 1 55 55 PHE CB C 13 42.99 0 . 1 . . . . . 55 PHE CB . 52200 1 276 . 1 . 1 55 55 PHE N N 15 123.88 0 . 1 . . . . . 55 PHE N . 52200 1 277 . 1 . 1 56 56 ILE H H 1 8.5549 0 . 1 . . . . . 56 ILE H . 52200 1 278 . 1 . 1 56 56 ILE C C 13 173.93 0 . 1 . . . . . 56 ILE C . 52200 1 279 . 1 . 1 56 56 ILE CA C 13 60.14 0 . 1 . . . . . 56 ILE CA . 52200 1 280 . 1 . 1 56 56 ILE CB C 13 40.29 0 . 1 . . . . . 56 ILE CB . 52200 1 281 . 1 . 1 56 56 ILE N N 15 127.17 0 . 1 . . . . . 56 ILE N . 52200 1 282 . 1 . 1 57 57 SER H H 1 7.3538 0 . 1 . . . . . 57 SER H . 52200 1 283 . 1 . 1 57 57 SER C C 13 172.7 0 . 1 . . . . . 57 SER C . 52200 1 284 . 1 . 1 57 57 SER CA C 13 54.16 0 . 1 . . . . . 57 SER CA . 52200 1 285 . 1 . 1 57 57 SER CB C 13 65.06 0 . 1 . . . . . 57 SER CB . 52200 1 286 . 1 . 1 57 57 SER N N 15 119.54 0 . 1 . . . . . 57 SER N . 52200 1 287 . 1 . 1 58 58 ALA H H 1 8.7061 0 . 1 . . . . . 58 ALA H . 52200 1 288 . 1 . 1 58 58 ALA C C 13 175.5 0 . 1 . . . . . 58 ALA C . 52200 1 289 . 1 . 1 58 58 ALA CA C 13 51.41 0 . 1 . . . . . 58 ALA CA . 52200 1 290 . 1 . 1 58 58 ALA CB C 13 20.05 0 . 1 . . . . . 58 ALA CB . 52200 1 291 . 1 . 1 58 58 ALA N N 15 124.92 0 . 1 . . . . . 58 ALA N . 52200 1 292 . 1 . 1 59 59 ASP H H 1 8.2303 0 . 1 . . . . . 59 ASP H . 52200 1 293 . 1 . 1 59 59 ASP C C 13 175.94 0 . 1 . . . . . 59 ASP C . 52200 1 294 . 1 . 1 59 59 ASP CA C 13 52.25 0 . 1 . . . . . 59 ASP CA . 52200 1 295 . 1 . 1 59 59 ASP CB C 13 43.16 0 . 1 . . . . . 59 ASP CB . 52200 1 296 . 1 . 1 59 59 ASP N N 15 112.84 0 . 1 . . . . . 59 ASP N . 52200 1 297 . 1 . 1 60 60 GLN H H 1 8.5097 0 . 1 . . . . . 60 GLN H . 52200 1 298 . 1 . 1 60 60 GLN C C 13 178.12 0 . 1 . . . . . 60 GLN C . 52200 1 299 . 1 . 1 60 60 GLN CA C 13 56.66 0 . 1 . . . . . 60 GLN CA . 52200 1 300 . 1 . 1 60 60 GLN CB C 13 26.81 0 . 1 . . . . . 60 GLN CB . 52200 1 301 . 1 . 1 60 60 GLN N N 15 116.77 0 . 1 . . . . . 60 GLN N . 52200 1 302 . 1 . 1 61 61 LYS H H 1 7.6741 0 . 1 . . . . . 61 LYS H . 52200 1 303 . 1 . 1 61 61 LYS C C 13 179.43 0 . 1 . . . . . 61 LYS C . 52200 1 304 . 1 . 1 61 61 LYS CA C 13 59.58 0 . 1 . . . . . 61 LYS CA . 52200 1 305 . 1 . 1 61 61 LYS CB C 13 32.62 0 . 1 . . . . . 61 LYS CB . 52200 1 306 . 1 . 1 61 61 LYS N N 15 121.3 0 . 1 . . . . . 61 LYS N . 52200 1 307 . 1 . 1 62 62 TRP H H 1 9.1329 0 . 1 . . . . . 62 TRP H . 52200 1 308 . 1 . 1 62 62 TRP C C 13 177.98 0 . 1 . . . . . 62 TRP C . 52200 1 309 . 1 . 1 62 62 TRP CA C 13 60.43 0 . 1 . . . . . 62 TRP CA . 52200 1 310 . 1 . 1 62 62 TRP CB C 13 27.99 0 . 1 . . . . . 62 TRP CB . 52200 1 311 . 1 . 1 62 62 TRP N N 15 120.03 0 . 1 . . . . . 62 TRP N . 52200 1 312 . 1 . 1 63 63 MET H H 1 7.0508 0 . 1 . . . . . 63 MET H . 52200 1 313 . 1 . 1 63 63 MET C C 13 177.21 0 . 1 . . . . . 63 MET C . 52200 1 314 . 1 . 1 63 63 MET CA C 13 56.4 0 . 1 . . . . . 63 MET CA . 52200 1 315 . 1 . 1 63 63 MET CB C 13 31.54 0 . 1 . . . . . 63 MET CB . 52200 1 316 . 1 . 1 63 63 MET N N 15 120.15 0 . 1 . . . . . 63 MET N . 52200 1 317 . 1 . 1 64 64 ASP H H 1 9.0818 0 . 1 . . . . . 64 ASP H . 52200 1 318 . 1 . 1 64 64 ASP C C 13 178.33 0 . 1 . . . . . 64 ASP C . 52200 1 319 . 1 . 1 64 64 ASP CA C 13 57.6 0 . 1 . . . . . 64 ASP CA . 52200 1 320 . 1 . 1 64 64 ASP CB C 13 39.45 0 . 1 . . . . . 64 ASP CB . 52200 1 321 . 1 . 1 64 64 ASP N N 15 121.88 0 . 1 . . . . . 64 ASP N . 52200 1 322 . 1 . 1 65 65 TYR H H 1 8.1247 0 . 1 . . . . . 65 TYR H . 52200 1 323 . 1 . 1 65 65 TYR C C 13 176.26 0 . 1 . . . . . 65 TYR C . 52200 1 324 . 1 . 1 65 65 TYR CA C 13 61.47 0 . 1 . . . . . 65 TYR CA . 52200 1 325 . 1 . 1 65 65 TYR CB C 13 39.28 0 . 1 . . . . . 65 TYR CB . 52200 1 326 . 1 . 1 65 65 TYR N N 15 121.09 0 . 1 . . . . . 65 TYR N . 52200 1 327 . 1 . 1 66 66 ALA H H 1 7.6266 0 . 1 . . . . . 66 ALA H . 52200 1 328 . 1 . 1 66 66 ALA C C 13 179.32 0 . 1 . . . . . 66 ALA C . 52200 1 329 . 1 . 1 66 66 ALA CA C 13 55.57 0 . 1 . . . . . 66 ALA CA . 52200 1 330 . 1 . 1 66 66 ALA CB C 13 17.99 0 . 1 . . . . . 66 ALA CB . 52200 1 331 . 1 . 1 66 66 ALA N N 15 122.26 0 . 1 . . . . . 66 ALA N . 52200 1 332 . 1 . 1 67 67 VAL H H 1 8.7044 0 . 1 . . . . . 67 VAL H . 52200 1 333 . 1 . 1 67 67 VAL C C 13 180.8 0 . 1 . . . . . 67 VAL C . 52200 1 334 . 1 . 1 67 67 VAL CA C 13 65.71 0 . 1 . . . . . 67 VAL CA . 52200 1 335 . 1 . 1 67 67 VAL CB C 13 31.81 0 . 1 . . . . . 67 VAL CB . 52200 1 336 . 1 . 1 67 67 VAL N N 15 120.9 0 . 1 . . . . . 67 VAL N . 52200 1 337 . 1 . 1 68 68 ASP H H 1 8.6812 0 . 1 . . . . . 68 ASP H . 52200 1 338 . 1 . 1 68 68 ASP C C 13 177.51 0 . 1 . . . . . 68 ASP C . 52200 1 339 . 1 . 1 68 68 ASP CA C 13 56.99 0 . 1 . . . . . 68 ASP CA . 52200 1 340 . 1 . 1 68 68 ASP CB C 13 40.93 0 . 1 . . . . . 68 ASP CB . 52200 1 341 . 1 . 1 68 68 ASP N N 15 125.18 0 . 1 . . . . . 68 ASP N . 52200 1 342 . 1 . 1 69 69 LYS H H 1 7.3521 0 . 1 . . . . . 69 LYS H . 52200 1 343 . 1 . 1 69 69 LYS C C 13 175.36 0 . 1 . . . . . 69 LYS C . 52200 1 344 . 1 . 1 69 69 LYS CA C 13 53.45 0 . 1 . . . . . 69 LYS CA . 52200 1 345 . 1 . 1 69 69 LYS CB C 13 29.84 0 . 1 . . . . . 69 LYS CB . 52200 1 346 . 1 . 1 69 69 LYS N N 15 115.69 0 . 1 . . . . . 69 LYS N . 52200 1 347 . 1 . 1 70 70 LYS H H 1 8.2018 0 . 1 . . . . . 70 LYS H . 52200 1 348 . 1 . 1 70 70 LYS C C 13 176.18 0 . 1 . . . . . 70 LYS C . 52200 1 349 . 1 . 1 70 70 LYS CA C 13 56.95 0 . 1 . . . . . 70 LYS CA . 52200 1 350 . 1 . 1 70 70 LYS CB C 13 28.22 0 . 1 . . . . . 70 LYS CB . 52200 1 351 . 1 . 1 70 70 LYS N N 15 115.27 0 . 1 . . . . . 70 LYS N . 52200 1 352 . 1 . 1 71 71 ALA H H 1 7.7325 0 . 1 . . . . . 71 ALA H . 52200 1 353 . 1 . 1 71 71 ALA C C 13 176.92 0 . 1 . . . . . 71 ALA C . 52200 1 354 . 1 . 1 71 71 ALA CA C 13 51.82 0 . 1 . . . . . 71 ALA CA . 52200 1 355 . 1 . 1 71 71 ALA CB C 13 20.67 0 . 1 . . . . . 71 ALA CB . 52200 1 356 . 1 . 1 71 71 ALA N N 15 117.59 0 . 1 . . . . . 71 ALA N . 52200 1 357 . 1 . 1 72 72 ILE H H 1 7.6799 0 . 1 . . . . . 72 ILE H . 52200 1 358 . 1 . 1 72 72 ILE C C 13 174.49 0 . 1 . . . . . 72 ILE C . 52200 1 359 . 1 . 1 72 72 ILE CA C 13 56.68 0 . 1 . . . . . 72 ILE CA . 52200 1 360 . 1 . 1 72 72 ILE CB C 13 40.85 0 . 1 . . . . . 72 ILE CB . 52200 1 361 . 1 . 1 72 72 ILE N N 15 118.4 0 . 1 . . . . . 72 ILE N . 52200 1 362 . 1 . 1 73 73 ASP H H 1 8.7281 0 . 1 . . . . . 73 ASP H . 52200 1 363 . 1 . 1 73 73 ASP C C 13 177.74 0 . 1 . . . . . 73 ASP C . 52200 1 364 . 1 . 1 73 73 ASP CA C 13 52.84 0 . 1 . . . . . 73 ASP CA . 52200 1 365 . 1 . 1 73 73 ASP CB C 13 40.4 0 . 1 . . . . . 73 ASP CB . 52200 1 366 . 1 . 1 73 73 ASP N N 15 125.75 0 . 1 . . . . . 73 ASP N . 52200 1 367 . 1 . 1 74 74 THR H H 1 8.6962 0 . 1 . . . . . 74 THR H . 52200 1 368 . 1 . 1 74 74 THR C C 13 176.15 0 . 1 . . . . . 74 THR C . 52200 1 369 . 1 . 1 74 74 THR CA C 13 65.82 0 . 1 . . . . . 74 THR CA . 52200 1 370 . 1 . 1 74 74 THR CB C 13 68.2 0 . 1 . . . . . 74 THR CB . 52200 1 371 . 1 . 1 74 74 THR N N 15 124.12 0 . 1 . . . . . 74 THR N . 52200 1 372 . 1 . 1 75 75 ALA H H 1 8.3937 0 . 1 . . . . . 75 ALA H . 52200 1 373 . 1 . 1 75 75 ALA C C 13 178.54 0 . 1 . . . . . 75 ALA C . 52200 1 374 . 1 . 1 75 75 ALA CA C 13 54.15 0 . 1 . . . . . 75 ALA CA . 52200 1 375 . 1 . 1 75 75 ALA CB C 13 18.6 0 . 1 . . . . . 75 ALA CB . 52200 1 376 . 1 . 1 75 75 ALA N N 15 125.21 0 . 1 . . . . . 75 ALA N . 52200 1 377 . 1 . 1 76 76 THR H H 1 7.8512 0 . 1 . . . . . 76 THR H . 52200 1 378 . 1 . 1 76 76 THR C C 13 175.23 0 . 1 . . . . . 76 THR C . 52200 1 379 . 1 . 1 76 76 THR CA C 13 61.11 0 . 1 . . . . . 76 THR CA . 52200 1 380 . 1 . 1 76 76 THR CB C 13 71.12 0 . 1 . . . . . 76 THR CB . 52200 1 381 . 1 . 1 76 76 THR N N 15 105.44 0 . 1 . . . . . 76 THR N . 52200 1 382 . 1 . 1 77 77 ARG H H 1 7.2804 0 . 1 . . . . . 77 ARG H . 52200 1 383 . 1 . 1 77 77 ARG C C 13 176.2 0 . 1 . . . . . 77 ARG C . 52200 1 384 . 1 . 1 77 77 ARG CA C 13 56.4 0 . 1 . . . . . 77 ARG CA . 52200 1 385 . 1 . 1 77 77 ARG CB C 13 30.75 0 . 1 . . . . . 77 ARG CB . 52200 1 386 . 1 . 1 77 77 ARG N N 15 126.26 0 . 1 . . . . . 77 ARG N . 52200 1 387 . 1 . 1 78 78 GLN H H 1 9.0807 0 . 1 . . . . . 78 GLN H . 52200 1 388 . 1 . 1 78 78 GLN HE21 H 1 7.3209 0 . 2 . . . . . 78 GLN HE21 . 52200 1 389 . 1 . 1 78 78 GLN HE22 H 1 6.9096 0 . 2 . . . . . 78 GLN HE22 . 52200 1 390 . 1 . 1 78 78 GLN C C 13 174.53 0 . 1 . . . . . 78 GLN C . 52200 1 391 . 1 . 1 78 78 GLN CA C 13 54.8 0 . 1 . . . . . 78 GLN CA . 52200 1 392 . 1 . 1 78 78 GLN CB C 13 33.07 0 . 1 . . . . . 78 GLN CB . 52200 1 393 . 1 . 1 78 78 GLN N N 15 127.41 0 . 1 . . . . . 78 GLN N . 52200 1 394 . 1 . 1 78 78 GLN NE2 N 15 112.0324 0 . 1 . . . . . 78 GLN NE2 . 52200 1 395 . 1 . 1 79 79 THR H H 1 9.1986 0 . 1 . . . . . 79 THR H . 52200 1 396 . 1 . 1 79 79 THR C C 13 172.6 0 . 1 . . . . . 79 THR C . 52200 1 397 . 1 . 1 79 79 THR CA C 13 64.69 0 . 1 . . . . . 79 THR CA . 52200 1 398 . 1 . 1 79 79 THR CB C 13 67.69 0 . 1 . . . . . 79 THR CB . 52200 1 399 . 1 . 1 79 79 THR N N 15 122.49 0 . 1 . . . . . 79 THR N . 52200 1 400 . 1 . 1 80 80 LEU H H 1 9.2788 0 . 1 . . . . . 80 LEU H . 52200 1 401 . 1 . 1 80 80 LEU C C 13 175.75 0 . 1 . . . . . 80 LEU C . 52200 1 402 . 1 . 1 80 80 LEU CA C 13 56.11 0 . 1 . . . . . 80 LEU CA . 52200 1 403 . 1 . 1 80 80 LEU CB C 13 46.44 0 . 1 . . . . . 80 LEU CB . 52200 1 404 . 1 . 1 80 80 LEU N N 15 131.95 0 . 1 . . . . . 80 LEU N . 52200 1 405 . 1 . 1 81 81 LEU H H 1 6.838 0 . 1 . . . . . 81 LEU H . 52200 1 406 . 1 . 1 81 81 LEU C C 13 176.34 0 . 1 . . . . . 81 LEU C . 52200 1 407 . 1 . 1 81 81 LEU CA C 13 52.54 0 . 1 . . . . . 81 LEU CA . 52200 1 408 . 1 . 1 81 81 LEU CB C 13 47.05 0 . 1 . . . . . 81 LEU CB . 52200 1 409 . 1 . 1 81 81 LEU N N 15 113.78 0 . 1 . . . . . 81 LEU N . 52200 1 410 . 1 . 1 82 82 GLY H H 1 8.807 0 . 1 . . . . . 82 GLY H . 52200 1 411 . 1 . 1 82 82 GLY C C 13 172.34 0 . 1 . . . . . 82 GLY C . 52200 1 412 . 1 . 1 82 82 GLY CA C 13 43.95 0 . 1 . . . . . 82 GLY CA . 52200 1 413 . 1 . 1 82 82 GLY N N 15 108.91 0 . 1 . . . . . 82 GLY N . 52200 1 414 . 1 . 1 83 83 ASN H H 1 7.524 0 . 1 . . . . . 83 ASN H . 52200 1 415 . 1 . 1 83 83 ASN C C 13 173.59 0 . 1 . . . . . 83 ASN C . 52200 1 416 . 1 . 1 83 83 ASN CA C 13 50.59 0 . 1 . . . . . 83 ASN CA . 52200 1 417 . 1 . 1 83 83 ASN CB C 13 45.72 0 . 1 . . . . . 83 ASN CB . 52200 1 418 . 1 . 1 83 83 ASN N N 15 116.57 0 . 1 . . . . . 83 ASN N . 52200 1 419 . 1 . 1 84 84 SER H H 1 8.8954 0 . 1 . . . . . 84 SER H . 52200 1 420 . 1 . 1 84 84 SER C C 13 172.49 0 . 1 . . . . . 84 SER C . 52200 1 421 . 1 . 1 84 84 SER CA C 13 56.09 0 . 1 . . . . . 84 SER CA . 52200 1 422 . 1 . 1 84 84 SER CB C 13 66.63 0 . 1 . . . . . 84 SER CB . 52200 1 423 . 1 . 1 84 84 SER N N 15 114.86 0 . 1 . . . . . 84 SER N . 52200 1 424 . 1 . 1 85 85 LEU H H 1 8.4557 0 . 1 . . . . . 85 LEU H . 52200 1 425 . 1 . 1 85 85 LEU C C 13 175.62 0 . 1 . . . . . 85 LEU C . 52200 1 426 . 1 . 1 85 85 LEU CA C 13 54.06 0 . 1 . . . . . 85 LEU CA . 52200 1 427 . 1 . 1 85 85 LEU CB C 13 47.08 0 . 1 . . . . . 85 LEU CB . 52200 1 428 . 1 . 1 85 85 LEU N N 15 124.22 0 . 1 . . . . . 85 LEU N . 52200 1 429 . 1 . 1 86 86 VAL H H 1 9.3438 0 . 1 . . . . . 86 VAL H . 52200 1 430 . 1 . 1 86 86 VAL C C 13 173.36 0 . 1 . . . . . 86 VAL C . 52200 1 431 . 1 . 1 86 86 VAL CA C 13 59.08 0 . 1 . . . . . 86 VAL CA . 52200 1 432 . 1 . 1 86 86 VAL CB C 13 35.91 0 . 1 . . . . . 86 VAL CB . 52200 1 433 . 1 . 1 86 86 VAL N N 15 119.02 0 . 1 . . . . . 86 VAL N . 52200 1 434 . 1 . 1 87 87 VAL H H 1 8.8428 0 . 1 . . . . . 87 VAL H . 52200 1 435 . 1 . 1 87 87 VAL C C 13 176.74 0 . 1 . . . . . 87 VAL C . 52200 1 436 . 1 . 1 87 87 VAL CA C 13 59.7 0 . 1 . . . . . 87 VAL CA . 52200 1 437 . 1 . 1 87 87 VAL CB C 13 33.09 0 . 1 . . . . . 87 VAL CB . 52200 1 438 . 1 . 1 87 87 VAL N N 15 118.98 0 . 1 . . . . . 87 VAL N . 52200 1 439 . 1 . 1 88 88 VAL H H 1 9.2418 0 . 1 . . . . . 88 VAL H . 52200 1 440 . 1 . 1 88 88 VAL C C 13 173.21 0 . 1 . . . . . 88 VAL C . 52200 1 441 . 1 . 1 88 88 VAL CA C 13 57.36 0 . 1 . . . . . 88 VAL CA . 52200 1 442 . 1 . 1 88 88 VAL CB C 13 35.95 0 . 1 . . . . . 88 VAL CB . 52200 1 443 . 1 . 1 88 88 VAL N N 15 118.15 0 . 1 . . . . . 88 VAL N . 52200 1 444 . 1 . 1 89 89 ALA H H 1 8.7743 0 . 1 . . . . . 89 ALA H . 52200 1 445 . 1 . 1 89 89 ALA C C 13 173.78 0 . 1 . . . . . 89 ALA C . 52200 1 446 . 1 . 1 89 89 ALA CA C 13 48.61 0 . 1 . . . . . 89 ALA CA . 52200 1 447 . 1 . 1 89 89 ALA CB C 13 21.87 0 . 1 . . . . . 89 ALA CB . 52200 1 448 . 1 . 1 89 89 ALA N N 15 122.24 0 . 1 . . . . . 89 ALA N . 52200 1 449 . 1 . 1 90 90 PRO C C 13 178.04 0 . 1 . . . . . 90 PRO C . 52200 1 450 . 1 . 1 90 90 PRO CA C 13 63.17 0 . 1 . . . . . 90 PRO CA . 52200 1 451 . 1 . 1 90 90 PRO CB C 13 32.22 0 . 1 . . . . . 90 PRO CB . 52200 1 452 . 1 . 1 91 91 LYS H H 1 7.7923 0 . 1 . . . . . 91 LYS H . 52200 1 453 . 1 . 1 91 91 LYS C C 13 176.2 0 . 1 . . . . . 91 LYS C . 52200 1 454 . 1 . 1 91 91 LYS CA C 13 59.96 0 . 1 . . . . . 91 LYS CA . 52200 1 455 . 1 . 1 91 91 LYS CB C 13 32.46 0 . 1 . . . . . 91 LYS CB . 52200 1 456 . 1 . 1 91 91 LYS N N 15 124.38 0 . 1 . . . . . 91 LYS N . 52200 1 457 . 1 . 1 92 92 ALA H H 1 8.4486 0 . 1 . . . . . 92 ALA H . 52200 1 458 . 1 . 1 92 92 ALA C C 13 177.78 0 . 1 . . . . . 92 ALA C . 52200 1 459 . 1 . 1 92 92 ALA CA C 13 51.89 0 . 1 . . . . . 92 ALA CA . 52200 1 460 . 1 . 1 92 92 ALA CB C 13 18.75 0 . 1 . . . . . 92 ALA CB . 52200 1 461 . 1 . 1 92 92 ALA N N 15 117.95 0 . 1 . . . . . 92 ALA N . 52200 1 462 . 1 . 1 93 93 SER H H 1 7.6899 0 . 1 . . . . . 93 SER H . 52200 1 463 . 1 . 1 93 93 SER C C 13 175.99 0 . 1 . . . . . 93 SER C . 52200 1 464 . 1 . 1 93 93 SER CA C 13 57.49 0 . 1 . . . . . 93 SER CA . 52200 1 465 . 1 . 1 93 93 SER CB C 13 64.24 0 . 1 . . . . . 93 SER CB . 52200 1 466 . 1 . 1 93 93 SER N N 15 113.89 0 . 1 . . . . . 93 SER N . 52200 1 467 . 1 . 1 94 94 VAL H H 1 8.448 0 . 1 . . . . . 94 VAL H . 52200 1 468 . 1 . 1 94 94 VAL C C 13 176.11 0 . 1 . . . . . 94 VAL C . 52200 1 469 . 1 . 1 94 94 VAL CA C 13 61.58 0 . 1 . . . . . 94 VAL CA . 52200 1 470 . 1 . 1 94 94 VAL CB C 13 31.11 0 . 1 . . . . . 94 VAL CB . 52200 1 471 . 1 . 1 94 94 VAL N N 15 121.09 0 . 1 . . . . . 94 VAL N . 52200 1 472 . 1 . 1 95 95 GLN H H 1 8.0283 0 . 1 . . . . . 95 GLN H . 52200 1 473 . 1 . 1 95 95 GLN HE21 H 1 6.616 0 . 2 . . . . . 95 GLN HE21 . 52200 1 474 . 1 . 1 95 95 GLN HE22 H 1 8.8201 0 . 2 . . . . . 95 GLN HE22 . 52200 1 475 . 1 . 1 95 95 GLN C C 13 174.79 0 . 1 . . . . . 95 GLN C . 52200 1 476 . 1 . 1 95 95 GLN CA C 13 55.98 0 . 1 . . . . . 95 GLN CA . 52200 1 477 . 1 . 1 95 95 GLN CB C 13 29.77 0 . 1 . . . . . 95 GLN CB . 52200 1 478 . 1 . 1 95 95 GLN N N 15 123.73 0 . 1 . . . . . 95 GLN N . 52200 1 479 . 1 . 1 95 95 GLN NE2 N 15 118.3494 0 . 1 . . . . . 95 GLN NE2 . 52200 1 480 . 1 . 1 96 96 LYS H H 1 8.2609 0 . 1 . . . . . 96 LYS H . 52200 1 481 . 1 . 1 96 96 LYS C C 13 176 0 . 1 . . . . . 96 LYS C . 52200 1 482 . 1 . 1 96 96 LYS CA C 13 55.18 0 . 1 . . . . . 96 LYS CA . 52200 1 483 . 1 . 1 96 96 LYS CB C 13 34.39 0 . 1 . . . . . 96 LYS CB . 52200 1 484 . 1 . 1 96 96 LYS N N 15 128.98 0 . 1 . . . . . 96 LYS N . 52200 1 485 . 1 . 1 97 97 ASP H H 1 8.1114 0 . 1 . . . . . 97 ASP H . 52200 1 486 . 1 . 1 97 97 ASP C C 13 176.43 0 . 1 . . . . . 97 ASP C . 52200 1 487 . 1 . 1 97 97 ASP CA C 13 54.73 0 . 1 . . . . . 97 ASP CA . 52200 1 488 . 1 . 1 97 97 ASP CB C 13 41.14 0 . 1 . . . . . 97 ASP CB . 52200 1 489 . 1 . 1 97 97 ASP N N 15 119.93 0 . 1 . . . . . 97 ASP N . 52200 1 490 . 1 . 1 98 98 PHE H H 1 8.5176 0 . 1 . . . . . 98 PHE H . 52200 1 491 . 1 . 1 98 98 PHE C C 13 173.1 0 . 1 . . . . . 98 PHE C . 52200 1 492 . 1 . 1 98 98 PHE CA C 13 55.29 0 . 1 . . . . . 98 PHE CA . 52200 1 493 . 1 . 1 98 98 PHE CB C 13 41.42 0 . 1 . . . . . 98 PHE CB . 52200 1 494 . 1 . 1 98 98 PHE N N 15 117.74 0 . 1 . . . . . 98 PHE N . 52200 1 495 . 1 . 1 99 99 THR H H 1 8.312 0 . 1 . . . . . 99 THR H . 52200 1 496 . 1 . 1 99 99 THR C C 13 173.98 0 . 1 . . . . . 99 THR C . 52200 1 497 . 1 . 1 99 99 THR CA C 13 61.28 0 . 1 . . . . . 99 THR CA . 52200 1 498 . 1 . 1 99 99 THR CB C 13 70.48 0 . 1 . . . . . 99 THR CB . 52200 1 499 . 1 . 1 99 99 THR N N 15 115.08 0 . 1 . . . . . 99 THR N . 52200 1 500 . 1 . 1 100 100 ILE H H 1 8.7767 0 . 1 . . . . . 100 ILE H . 52200 1 501 . 1 . 1 100 100 ILE C C 13 173.27 0 . 1 . . . . . 100 ILE C . 52200 1 502 . 1 . 1 100 100 ILE CA C 13 61.14 0 . 1 . . . . . 100 ILE CA . 52200 1 503 . 1 . 1 100 100 ILE CB C 13 38.66 0 . 1 . . . . . 100 ILE CB . 52200 1 504 . 1 . 1 100 100 ILE N N 15 127.91 0 . 1 . . . . . 100 ILE N . 52200 1 505 . 1 . 1 101 101 ASP H H 1 9.1144 0 . 1 . . . . . 101 ASP H . 52200 1 506 . 1 . 1 101 101 ASP C C 13 176.83 0 . 1 . . . . . 101 ASP C . 52200 1 507 . 1 . 1 101 101 ASP CA C 13 53.37 0 . 1 . . . . . 101 ASP CA . 52200 1 508 . 1 . 1 101 101 ASP CB C 13 41.53 0 . 1 . . . . . 101 ASP CB . 52200 1 509 . 1 . 1 101 101 ASP N N 15 128.44 0 . 1 . . . . . 101 ASP N . 52200 1 510 . 1 . 1 102 102 SER H H 1 8.6788 0 . 1 . . . . . 102 SER H . 52200 1 511 . 1 . 1 102 102 SER C C 13 175.14 0 . 1 . . . . . 102 SER C . 52200 1 512 . 1 . 1 102 102 SER CA C 13 60.92 0 . 1 . . . . . 102 SER CA . 52200 1 513 . 1 . 1 102 102 SER CB C 13 63.37 0 . 1 . . . . . 102 SER CB . 52200 1 514 . 1 . 1 102 102 SER N N 15 113.85 0 . 1 . . . . . 102 SER N . 52200 1 515 . 1 . 1 103 103 LYS H H 1 8.7301 0 . 1 . . . . . 103 LYS H . 52200 1 516 . 1 . 1 103 103 LYS C C 13 177.03 0 . 1 . . . . . 103 LYS C . 52200 1 517 . 1 . 1 103 103 LYS CA C 13 55.29 0 . 1 . . . . . 103 LYS CA . 52200 1 518 . 1 . 1 103 103 LYS CB C 13 32.73 0 . 1 . . . . . 103 LYS CB . 52200 1 519 . 1 . 1 103 103 LYS N N 15 121.98 0 . 1 . . . . . 103 LYS N . 52200 1 520 . 1 . 1 104 104 THR H H 1 7.6438 0 . 1 . . . . . 104 THR H . 52200 1 521 . 1 . 1 104 104 THR C C 13 173.63 0 . 1 . . . . . 104 THR C . 52200 1 522 . 1 . 1 104 104 THR CA C 13 65.55 0 . 1 . . . . . 104 THR CA . 52200 1 523 . 1 . 1 104 104 THR CB C 13 70.15 0 . 1 . . . . . 104 THR CB . 52200 1 524 . 1 . 1 104 104 THR N N 15 121.69 0 . 1 . . . . . 104 THR N . 52200 1 525 . 1 . 1 105 105 ASN H H 1 8.8317 0 . 1 . . . . . 105 ASN H . 52200 1 526 . 1 . 1 105 105 ASN HD21 H 1 6.8327 0 . 2 . . . . . 105 ASN HD21 . 52200 1 527 . 1 . 1 105 105 ASN HD22 H 1 7.6414 0 . 2 . . . . . 105 ASN HD22 . 52200 1 528 . 1 . 1 105 105 ASN C C 13 175.06 0 . 1 . . . . . 105 ASN C . 52200 1 529 . 1 . 1 105 105 ASN CA C 13 50.59 0 . 1 . . . . . 105 ASN CA . 52200 1 530 . 1 . 1 105 105 ASN CB C 13 36.33 0 . 1 . . . . . 105 ASN CB . 52200 1 531 . 1 . 1 105 105 ASN N N 15 127.68 0 . 1 . . . . . 105 ASN N . 52200 1 532 . 1 . 1 105 105 ASN ND2 N 15 112.1364 0 . 1 . . . . . 105 ASN ND2 . 52200 1 533 . 1 . 1 106 106 TRP H H 1 7.859 0 . 1 . . . . . 106 TRP H . 52200 1 534 . 1 . 1 106 106 TRP C C 13 177.76 0 . 1 . . . . . 106 TRP C . 52200 1 535 . 1 . 1 106 106 TRP CA C 13 60.59 0 . 1 . . . . . 106 TRP CA . 52200 1 536 . 1 . 1 106 106 TRP CB C 13 30.41 0 . 1 . . . . . 106 TRP CB . 52200 1 537 . 1 . 1 106 106 TRP N N 15 124.13 0 . 1 . . . . . 106 TRP N . 52200 1 538 . 1 . 1 107 107 THR H H 1 8.4673 0 . 1 . . . . . 107 THR H . 52200 1 539 . 1 . 1 107 107 THR C C 13 177.66 0 . 1 . . . . . 107 THR C . 52200 1 540 . 1 . 1 107 107 THR CA C 13 66.73 0 . 1 . . . . . 107 THR CA . 52200 1 541 . 1 . 1 107 107 THR CB C 13 68.23 0 . 1 . . . . . 107 THR CB . 52200 1 542 . 1 . 1 107 107 THR N N 15 113.29 0 . 1 . . . . . 107 THR N . 52200 1 543 . 1 . 1 108 108 SER H H 1 7.4865 0 . 1 . . . . . 108 SER H . 52200 1 544 . 1 . 1 108 108 SER C C 13 176.51 0 . 1 . . . . . 108 SER C . 52200 1 545 . 1 . 1 108 108 SER CA C 13 60.56 0 . 1 . . . . . 108 SER CA . 52200 1 546 . 1 . 1 108 108 SER CB C 13 63.07 0 . 1 . . . . . 108 SER CB . 52200 1 547 . 1 . 1 108 108 SER N N 15 118.37 0 . 1 . . . . . 108 SER N . 52200 1 548 . 1 . 1 109 109 LEU H H 1 7.4131 0 . 1 . . . . . 109 LEU H . 52200 1 549 . 1 . 1 109 109 LEU C C 13 178.32 0 . 1 . . . . . 109 LEU C . 52200 1 550 . 1 . 1 109 109 LEU CA C 13 56.95 0 . 1 . . . . . 109 LEU CA . 52200 1 551 . 1 . 1 109 109 LEU CB C 13 42.21 0 . 1 . . . . . 109 LEU CB . 52200 1 552 . 1 . 1 109 109 LEU N N 15 121.38 0 . 1 . . . . . 109 LEU N . 52200 1 553 . 1 . 1 110 110 LEU H H 1 7.7404 0 . 1 . . . . . 110 LEU H . 52200 1 554 . 1 . 1 110 110 LEU C C 13 178.83 0 . 1 . . . . . 110 LEU C . 52200 1 555 . 1 . 1 110 110 LEU CA C 13 56.21 0 . 1 . . . . . 110 LEU CA . 52200 1 556 . 1 . 1 110 110 LEU CB C 13 42.1 0 . 1 . . . . . 110 LEU CB . 52200 1 557 . 1 . 1 110 110 LEU N N 15 116.17 0 . 1 . . . . . 110 LEU N . 52200 1 558 . 1 . 1 111 111 ASN H H 1 7.7153 0 . 1 . . . . . 111 ASN H . 52200 1 559 . 1 . 1 111 111 ASN HD21 H 1 6.7519 0 . 2 . . . . . 111 ASN HD21 . 52200 1 560 . 1 . 1 111 111 ASN HD22 H 1 7.5526 0 . 2 . . . . . 111 ASN HD22 . 52200 1 561 . 1 . 1 111 111 ASN C C 13 175.19 0 . 1 . . . . . 111 ASN C . 52200 1 562 . 1 . 1 111 111 ASN CA C 13 53.77 0 . 1 . . . . . 111 ASN CA . 52200 1 563 . 1 . 1 111 111 ASN CB C 13 38.17 0 . 1 . . . . . 111 ASN CB . 52200 1 564 . 1 . 1 111 111 ASN N N 15 117.37 0 . 1 . . . . . 111 ASN N . 52200 1 565 . 1 . 1 111 111 ASN ND2 N 15 112.5846 0 . 1 . . . . . 111 ASN ND2 . 52200 1 566 . 1 . 1 112 112 GLY H H 1 8.9246 0 . 1 . . . . . 112 GLY H . 52200 1 567 . 1 . 1 112 112 GLY C C 13 175.02 0 . 1 . . . . . 112 GLY C . 52200 1 568 . 1 . 1 112 112 GLY CA C 13 45.25 0 . 1 . . . . . 112 GLY CA . 52200 1 569 . 1 . 1 112 112 GLY N N 15 106.57 0 . 1 . . . . . 112 GLY N . 52200 1 570 . 1 . 1 113 113 GLY H H 1 7.9775 0 . 1 . . . . . 113 GLY H . 52200 1 571 . 1 . 1 113 113 GLY C C 13 171.55 0 . 1 . . . . . 113 GLY C . 52200 1 572 . 1 . 1 113 113 GLY CA C 13 43.48 0 . 1 . . . . . 113 GLY CA . 52200 1 573 . 1 . 1 113 113 GLY N N 15 109.46 0 . 1 . . . . . 113 GLY N . 52200 1 574 . 1 . 1 114 114 ARG H H 1 7.9744 0 . 1 . . . . . 114 ARG H . 52200 1 575 . 1 . 1 114 114 ARG C C 13 173.65 0 . 1 . . . . . 114 ARG C . 52200 1 576 . 1 . 1 114 114 ARG CA C 13 54.73 0 . 1 . . . . . 114 ARG CA . 52200 1 577 . 1 . 1 114 114 ARG CB C 13 34.6 0 . 1 . . . . . 114 ARG CB . 52200 1 578 . 1 . 1 114 114 ARG N N 15 117.5 0 . 1 . . . . . 114 ARG N . 52200 1 579 . 1 . 1 115 115 LEU H H 1 8.0492 0 . 1 . . . . . 115 LEU H . 52200 1 580 . 1 . 1 115 115 LEU C C 13 175.77 0 . 1 . . . . . 115 LEU C . 52200 1 581 . 1 . 1 115 115 LEU CA C 13 52.28 0 . 1 . . . . . 115 LEU CA . 52200 1 582 . 1 . 1 115 115 LEU CB C 13 44.87 0 . 1 . . . . . 115 LEU CB . 52200 1 583 . 1 . 1 115 115 LEU N N 15 119.11 0 . 1 . . . . . 115 LEU N . 52200 1 584 . 1 . 1 116 116 ALA H H 1 8.7878 0 . 1 . . . . . 116 ALA H . 52200 1 585 . 1 . 1 116 116 ALA C C 13 176.33 0 . 1 . . . . . 116 ALA C . 52200 1 586 . 1 . 1 116 116 ALA CA C 13 52.15 0 . 1 . . . . . 116 ALA CA . 52200 1 587 . 1 . 1 116 116 ALA CB C 13 21.03 0 . 1 . . . . . 116 ALA CB . 52200 1 588 . 1 . 1 116 116 ALA N N 15 132.94 0 . 1 . . . . . 116 ALA N . 52200 1 589 . 1 . 1 117 117 VAL H H 1 7.9206 0 . 1 . . . . . 117 VAL H . 52200 1 590 . 1 . 1 117 117 VAL C C 13 176.88 0 . 1 . . . . . 117 VAL C . 52200 1 591 . 1 . 1 117 117 VAL CA C 13 58.4 0 . 1 . . . . . 117 VAL CA . 52200 1 592 . 1 . 1 117 117 VAL CB C 13 37.19 0 . 1 . . . . . 117 VAL CB . 52200 1 593 . 1 . 1 117 117 VAL N N 15 115.35 0 . 1 . . . . . 117 VAL N . 52200 1 594 . 1 . 1 118 118 GLY H H 1 8.9985 0 . 1 . . . . . 118 GLY H . 52200 1 595 . 1 . 1 118 118 GLY C C 13 172.49 0 . 1 . . . . . 118 GLY C . 52200 1 596 . 1 . 1 118 118 GLY CA C 13 44.93 0 . 1 . . . . . 118 GLY CA . 52200 1 597 . 1 . 1 118 118 GLY N N 15 109 0 . 1 . . . . . 118 GLY N . 52200 1 598 . 1 . 1 119 119 ASP H H 1 8.5572 0 . 1 . . . . . 119 ASP H . 52200 1 599 . 1 . 1 119 119 ASP C C 13 176.38 0 . 1 . . . . . 119 ASP C . 52200 1 600 . 1 . 1 119 119 ASP CA C 13 52.8 0 . 1 . . . . . 119 ASP CA . 52200 1 601 . 1 . 1 119 119 ASP CB C 13 41.8 0 . 1 . . . . . 119 ASP CB . 52200 1 602 . 1 . 1 119 119 ASP N N 15 123.43 0 . 1 . . . . . 119 ASP N . 52200 1 603 . 1 . 1 120 120 PRO C C 13 175.02 0 . 1 . . . . . 120 PRO C . 52200 1 604 . 1 . 1 120 120 PRO CA C 13 64.18 0 . 1 . . . . . 120 PRO CA . 52200 1 605 . 1 . 1 120 120 PRO CB C 13 32.69 0 . 1 . . . . . 120 PRO CB . 52200 1 606 . 1 . 1 121 121 GLU H H 1 8.3552 0 . 1 . . . . . 121 GLU H . 52200 1 607 . 1 . 1 121 121 GLU C C 13 177.59 0 . 1 . . . . . 121 GLU C . 52200 1 608 . 1 . 1 121 121 GLU CA C 13 56.74 0 . 1 . . . . . 121 GLU CA . 52200 1 609 . 1 . 1 121 121 GLU CB C 13 30.39 0 . 1 . . . . . 121 GLU CB . 52200 1 610 . 1 . 1 121 121 GLU N N 15 115.09 0 . 1 . . . . . 121 GLU N . 52200 1 611 . 1 . 1 122 122 HIS H H 1 7.6255 0 . 1 . . . . . 122 HIS H . 52200 1 612 . 1 . 1 122 122 HIS C C 13 172.16 0 . 1 . . . . . 122 HIS C . 52200 1 613 . 1 . 1 122 122 HIS CA C 13 58.23 0 . 1 . . . . . 122 HIS CA . 52200 1 614 . 1 . 1 122 122 HIS CB C 13 34.12 0 . 1 . . . . . 122 HIS CB . 52200 1 615 . 1 . 1 122 122 HIS N N 15 111.33 0 . 1 . . . . . 122 HIS N . 52200 1 616 . 1 . 1 123 123 VAL H H 1 8.3493 0 . 1 . . . . . 123 VAL H . 52200 1 617 . 1 . 1 123 123 VAL C C 13 176.02 0 . 1 . . . . . 123 VAL C . 52200 1 618 . 1 . 1 123 123 VAL CA C 13 60.08 0 . 1 . . . . . 123 VAL CA . 52200 1 619 . 1 . 1 123 123 VAL CB C 13 33.32 0 . 1 . . . . . 123 VAL CB . 52200 1 620 . 1 . 1 123 123 VAL N N 15 125.57 0 . 1 . . . . . 123 VAL N . 52200 1 621 . 1 . 1 124 124 PRO C C 13 176.83 0 . 1 . . . . . 124 PRO C . 52200 1 622 . 1 . 1 124 124 PRO CA C 13 66.44 0 . 1 . . . . . 124 PRO CA . 52200 1 623 . 1 . 1 124 124 PRO CB C 13 31.97 0 . 1 . . . . . 124 PRO CB . 52200 1 624 . 1 . 1 125 125 ALA H H 1 8.4569 0 . 1 . . . . . 125 ALA H . 52200 1 625 . 1 . 1 125 125 ALA C C 13 181.46 0 . 1 . . . . . 125 ALA C . 52200 1 626 . 1 . 1 125 125 ALA CA C 13 56.56 0 . 1 . . . . . 125 ALA CA . 52200 1 627 . 1 . 1 125 125 ALA CB C 13 20.33 0 . 1 . . . . . 125 ALA CB . 52200 1 628 . 1 . 1 125 125 ALA N N 15 120.14 0 . 1 . . . . . 125 ALA N . 52200 1 629 . 1 . 1 126 126 GLY H H 1 7.6071 0 . 1 . . . . . 126 GLY H . 52200 1 630 . 1 . 1 126 126 GLY C C 13 174.56 0 . 1 . . . . . 126 GLY C . 52200 1 631 . 1 . 1 126 126 GLY CA C 13 47.38 0 . 1 . . . . . 126 GLY CA . 52200 1 632 . 1 . 1 126 126 GLY N N 15 104.84 0 . 1 . . . . . 126 GLY N . 52200 1 633 . 1 . 1 127 127 ILE H H 1 8.2063 0 . 1 . . . . . 127 ILE H . 52200 1 634 . 1 . 1 127 127 ILE C C 13 180.32 0 . 1 . . . . . 127 ILE C . 52200 1 635 . 1 . 1 127 127 ILE CA C 13 65.66 0 . 1 . . . . . 127 ILE CA . 52200 1 636 . 1 . 1 127 127 ILE CB C 13 37.53 0 . 1 . . . . . 127 ILE CB . 52200 1 637 . 1 . 1 127 127 ILE N N 15 127.07 0 . 1 . . . . . 127 ILE N . 52200 1 638 . 1 . 1 128 128 TYR H H 1 9.0023 0 . 1 . . . . . 128 TYR H . 52200 1 639 . 1 . 1 128 128 TYR C C 13 177.37 0 . 1 . . . . . 128 TYR C . 52200 1 640 . 1 . 1 128 128 TYR CA C 13 60.77 0 . 1 . . . . . 128 TYR CA . 52200 1 641 . 1 . 1 128 128 TYR CB C 13 39.88 0 . 1 . . . . . 128 TYR CB . 52200 1 642 . 1 . 1 128 128 TYR N N 15 119.22 0 . 1 . . . . . 128 TYR N . 52200 1 643 . 1 . 1 129 129 ALA H H 1 7.0524 0 . 1 . . . . . 129 ALA H . 52200 1 644 . 1 . 1 129 129 ALA C C 13 177.76 0 . 1 . . . . . 129 ALA C . 52200 1 645 . 1 . 1 129 129 ALA CA C 13 54.96 0 . 1 . . . . . 129 ALA CA . 52200 1 646 . 1 . 1 129 129 ALA CB C 13 18.69 0 . 1 . . . . . 129 ALA CB . 52200 1 647 . 1 . 1 129 129 ALA N N 15 118.59 0 . 1 . . . . . 129 ALA N . 52200 1 648 . 1 . 1 130 130 LYS H H 1 8.6518 0 . 1 . . . . . 130 LYS H . 52200 1 649 . 1 . 1 130 130 LYS C C 13 177.28 0 . 1 . . . . . 130 LYS C . 52200 1 650 . 1 . 1 130 130 LYS CA C 13 59.42 0 . 1 . . . . . 130 LYS CA . 52200 1 651 . 1 . 1 130 130 LYS CB C 13 32.59 0 . 1 . . . . . 130 LYS CB . 52200 1 652 . 1 . 1 130 130 LYS N N 15 119.7 0 . 1 . . . . . 130 LYS N . 52200 1 653 . 1 . 1 131 131 GLU H H 1 7.7165 0 . 1 . . . . . 131 GLU H . 52200 1 654 . 1 . 1 131 131 GLU C C 13 179.14 0 . 1 . . . . . 131 GLU C . 52200 1 655 . 1 . 1 131 131 GLU CA C 13 59.2 0 . 1 . . . . . 131 GLU CA . 52200 1 656 . 1 . 1 131 131 GLU CB C 13 29.45 0 . 1 . . . . . 131 GLU CB . 52200 1 657 . 1 . 1 131 131 GLU N N 15 118.63 0 . 1 . . . . . 131 GLU N . 52200 1 658 . 1 . 1 132 132 ALA H H 1 7.7216 0 . 1 . . . . . 132 ALA H . 52200 1 659 . 1 . 1 132 132 ALA C C 13 180 0 . 1 . . . . . 132 ALA C . 52200 1 660 . 1 . 1 132 132 ALA CA C 13 54.32 0 . 1 . . . . . 132 ALA CA . 52200 1 661 . 1 . 1 132 132 ALA CB C 13 19.54 0 . 1 . . . . . 132 ALA CB . 52200 1 662 . 1 . 1 132 132 ALA N N 15 122.41 0 . 1 . . . . . 132 ALA N . 52200 1 663 . 1 . 1 133 133 LEU H H 1 8.8623 0 . 1 . . . . . 133 LEU H . 52200 1 664 . 1 . 1 133 133 LEU C C 13 180.42 0 . 1 . . . . . 133 LEU C . 52200 1 665 . 1 . 1 133 133 LEU CA C 13 57.84 0 . 1 . . . . . 133 LEU CA . 52200 1 666 . 1 . 1 133 133 LEU CB C 13 42.14 0 . 1 . . . . . 133 LEU CB . 52200 1 667 . 1 . 1 133 133 LEU N N 15 116.66 0 . 1 . . . . . 133 LEU N . 52200 1 668 . 1 . 1 134 134 GLN H H 1 8.9879 0 . 1 . . . . . 134 GLN H . 52200 1 669 . 1 . 1 134 134 GLN HE21 H 1 6.3438 0 . 2 . . . . . 134 GLN HE21 . 52200 1 670 . 1 . 1 134 134 GLN C C 13 179.92 0 . 1 . . . . . 134 GLN C . 52200 1 671 . 1 . 1 134 134 GLN CA C 13 59.72 0 . 1 . . . . . 134 GLN CA . 52200 1 672 . 1 . 1 134 134 GLN CB C 13 28.71 0 . 1 . . . . . 134 GLN CB . 52200 1 673 . 1 . 1 134 134 GLN N N 15 121.37 0 . 1 . . . . . 134 GLN N . 52200 1 674 . 1 . 1 134 134 GLN NE2 N 15 111.1999 0 . 1 . . . . . 134 GLN NE2 . 52200 1 675 . 1 . 1 135 135 LYS H H 1 8.4014 0 . 1 . . . . . 135 LYS H . 52200 1 676 . 1 . 1 135 135 LYS C C 13 179.25 0 . 1 . . . . . 135 LYS C . 52200 1 677 . 1 . 1 135 135 LYS CA C 13 59.72 0 . 1 . . . . . 135 LYS CA . 52200 1 678 . 1 . 1 135 135 LYS CB C 13 32.24 0 . 1 . . . . . 135 LYS CB . 52200 1 679 . 1 . 1 135 135 LYS N N 15 124.62 0 . 1 . . . . . 135 LYS N . 52200 1 680 . 1 . 1 136 136 LEU H H 1 8.1954 0 . 1 . . . . . 136 LEU H . 52200 1 681 . 1 . 1 136 136 LEU C C 13 177.09 0 . 1 . . . . . 136 LEU C . 52200 1 682 . 1 . 1 136 136 LEU CA C 13 55.55 0 . 1 . . . . . 136 LEU CA . 52200 1 683 . 1 . 1 136 136 LEU CB C 13 43.02 0 . 1 . . . . . 136 LEU CB . 52200 1 684 . 1 . 1 136 136 LEU N N 15 117.45 0 . 1 . . . . . 136 LEU N . 52200 1 685 . 1 . 1 137 137 GLY H H 1 7.7707 0 . 1 . . . . . 137 GLY H . 52200 1 686 . 1 . 1 137 137 GLY C C 13 174.6 0 . 1 . . . . . 137 GLY C . 52200 1 687 . 1 . 1 137 137 GLY CA C 13 46.14 0 . 1 . . . . . 137 GLY CA . 52200 1 688 . 1 . 1 137 137 GLY N N 15 107.44 0 . 1 . . . . . 137 GLY N . 52200 1 689 . 1 . 1 138 138 ALA H H 1 8.3275 0 . 1 . . . . . 138 ALA H . 52200 1 690 . 1 . 1 138 138 ALA C C 13 177.24 0 . 1 . . . . . 138 ALA C . 52200 1 691 . 1 . 1 138 138 ALA CA C 13 51.84 0 . 1 . . . . . 138 ALA CA . 52200 1 692 . 1 . 1 138 138 ALA CB C 13 22.43 0 . 1 . . . . . 138 ALA CB . 52200 1 693 . 1 . 1 138 138 ALA N N 15 121.77 0 . 1 . . . . . 138 ALA N . 52200 1 694 . 1 . 1 139 139 TRP H H 1 7.4942 0 . 1 . . . . . 139 TRP H . 52200 1 695 . 1 . 1 139 139 TRP C C 13 176.11 0 . 1 . . . . . 139 TRP C . 52200 1 696 . 1 . 1 139 139 TRP CA C 13 60.04 0 . 1 . . . . . 139 TRP CA . 52200 1 697 . 1 . 1 139 139 TRP CB C 13 30.88 0 . 1 . . . . . 139 TRP CB . 52200 1 698 . 1 . 1 139 139 TRP N N 15 121.07 0 . 1 . . . . . 139 TRP N . 52200 1 699 . 1 . 1 140 140 ASP H H 1 8.6845 0 . 1 . . . . . 140 ASP H . 52200 1 700 . 1 . 1 140 140 ASP C C 13 178.32 0 . 1 . . . . . 140 ASP C . 52200 1 701 . 1 . 1 140 140 ASP CA C 13 57.51 0 . 1 . . . . . 140 ASP CA . 52200 1 702 . 1 . 1 140 140 ASP CB C 13 39.77 0 . 1 . . . . . 140 ASP CB . 52200 1 703 . 1 . 1 140 140 ASP N N 15 118.14 0 . 1 . . . . . 140 ASP N . 52200 1 704 . 1 . 1 141 141 THR H H 1 7.5893 0 . 1 . . . . . 141 THR H . 52200 1 705 . 1 . 1 141 141 THR C C 13 174.97 0 . 1 . . . . . 141 THR C . 52200 1 706 . 1 . 1 141 141 THR CA C 13 64.49 0 . 1 . . . . . 141 THR CA . 52200 1 707 . 1 . 1 141 141 THR CB C 13 69.27 0 . 1 . . . . . 141 THR CB . 52200 1 708 . 1 . 1 141 141 THR N N 15 113.45 0 . 1 . . . . . 141 THR N . 52200 1 709 . 1 . 1 142 142 LEU H H 1 7.3748 0 . 1 . . . . . 142 LEU H . 52200 1 710 . 1 . 1 142 142 LEU C C 13 177.14 0 . 1 . . . . . 142 LEU C . 52200 1 711 . 1 . 1 142 142 LEU CA C 13 55.29 0 . 1 . . . . . 142 LEU CA . 52200 1 712 . 1 . 1 142 142 LEU CB C 13 44.08 0 . 1 . . . . . 142 LEU CB . 52200 1 713 . 1 . 1 142 142 LEU N N 15 120.4 0 . 1 . . . . . 142 LEU N . 52200 1 714 . 1 . 1 143 143 SER H H 1 8.0787 0 . 1 . . . . . 143 SER H . 52200 1 715 . 1 . 1 143 143 SER C C 13 174.14 0 . 1 . . . . . 143 SER C . 52200 1 716 . 1 . 1 143 143 SER CA C 13 60.98 0 . 1 . . . . . 143 SER CA . 52200 1 717 . 1 . 1 143 143 SER CB C 13 63.17 0 . 1 . . . . . 143 SER CB . 52200 1 718 . 1 . 1 143 143 SER N N 15 117.22 0 . 1 . . . . . 143 SER N . 52200 1 719 . 1 . 1 144 144 PRO C C 13 177.02 0 . 1 . . . . . 144 PRO C . 52200 1 720 . 1 . 1 144 144 PRO CA C 13 64.2 0 . 1 . . . . . 144 PRO CA . 52200 1 721 . 1 . 1 144 144 PRO CB C 13 31.87 0 . 1 . . . . . 144 PRO CB . 52200 1 722 . 1 . 1 145 145 LYS H H 1 8.163 0 . 1 . . . . . 145 LYS H . 52200 1 723 . 1 . 1 145 145 LYS C C 13 174.56 0 . 1 . . . . . 145 LYS C . 52200 1 724 . 1 . 1 145 145 LYS CA C 13 54.09 0 . 1 . . . . . 145 LYS CA . 52200 1 725 . 1 . 1 145 145 LYS CB C 13 33.03 0 . 1 . . . . . 145 LYS CB . 52200 1 726 . 1 . 1 145 145 LYS N N 15 118.76 0 . 1 . . . . . 145 LYS N . 52200 1 727 . 1 . 1 146 146 LEU H H 1 7.1612 0 . 1 . . . . . 146 LEU H . 52200 1 728 . 1 . 1 146 146 LEU C C 13 177.47 0 . 1 . . . . . 146 LEU C . 52200 1 729 . 1 . 1 146 146 LEU CA C 13 54.51 0 . 1 . . . . . 146 LEU CA . 52200 1 730 . 1 . 1 146 146 LEU CB C 13 43.14 0 . 1 . . . . . 146 LEU CB . 52200 1 731 . 1 . 1 146 146 LEU N N 15 117.4 0 . 1 . . . . . 146 LEU N . 52200 1 732 . 1 . 1 147 147 ALA H H 1 8.6362 0 . 1 . . . . . 147 ALA H . 52200 1 733 . 1 . 1 147 147 ALA C C 13 172.81 0 . 1 . . . . . 147 ALA C . 52200 1 734 . 1 . 1 147 147 ALA CA C 13 48.4 0 . 1 . . . . . 147 ALA CA . 52200 1 735 . 1 . 1 147 147 ALA CB C 13 19.23 0 . 1 . . . . . 147 ALA CB . 52200 1 736 . 1 . 1 147 147 ALA N N 15 126.55 0 . 1 . . . . . 147 ALA N . 52200 1 737 . 1 . 1 148 148 PRO C C 13 176.8 0 . 1 . . . . . 148 PRO C . 52200 1 738 . 1 . 1 148 148 PRO CA C 13 61.62 0 . 1 . . . . . 148 PRO CA . 52200 1 739 . 1 . 1 148 148 PRO CB C 13 33.03 0 . 1 . . . . . 148 PRO CB . 52200 1 740 . 1 . 1 149 149 ALA H H 1 8.5144 0 . 1 . . . . . 149 ALA H . 52200 1 741 . 1 . 1 149 149 ALA C C 13 177.58 0 . 1 . . . . . 149 ALA C . 52200 1 742 . 1 . 1 149 149 ALA CA C 13 49.9 0 . 1 . . . . . 149 ALA CA . 52200 1 743 . 1 . 1 149 149 ALA CB C 13 23.07 0 . 1 . . . . . 149 ALA CB . 52200 1 744 . 1 . 1 149 149 ALA N N 15 124.31 0 . 1 . . . . . 149 ALA N . 52200 1 745 . 1 . 1 150 150 GLU H H 1 8.9125 0 . 1 . . . . . 150 GLU H . 52200 1 746 . 1 . 1 150 150 GLU C C 13 175.52 0 . 1 . . . . . 150 GLU C . 52200 1 747 . 1 . 1 150 150 GLU CA C 13 58.32 0 . 1 . . . . . 150 GLU CA . 52200 1 748 . 1 . 1 150 150 GLU CB C 13 30.21 0 . 1 . . . . . 150 GLU CB . 52200 1 749 . 1 . 1 150 150 GLU N N 15 118.46 0 . 1 . . . . . 150 GLU N . 52200 1 750 . 1 . 1 151 151 ASP H H 1 7.7362 0 . 1 . . . . . 151 ASP H . 52200 1 751 . 1 . 1 151 151 ASP C C 13 176.64 0 . 1 . . . . . 151 ASP C . 52200 1 752 . 1 . 1 151 151 ASP CA C 13 53.82 0 . 1 . . . . . 151 ASP CA . 52200 1 753 . 1 . 1 151 151 ASP CB C 13 42.27 0 . 1 . . . . . 151 ASP CB . 52200 1 754 . 1 . 1 151 151 ASP N N 15 110.66 0 . 1 . . . . . 151 ASP N . 52200 1 755 . 1 . 1 152 152 VAL H H 1 9.8263 0 . 1 . . . . . 152 VAL H . 52200 1 756 . 1 . 1 152 152 VAL C C 13 176.74 0 . 1 . . . . . 152 VAL C . 52200 1 757 . 1 . 1 152 152 VAL CA C 13 65.93 0 . 1 . . . . . 152 VAL CA . 52200 1 758 . 1 . 1 152 152 VAL CB C 13 31.98 0 . 1 . . . . . 152 VAL CB . 52200 1 759 . 1 . 1 152 152 VAL N N 15 121.61 0 . 1 . . . . . 152 VAL N . 52200 1 760 . 1 . 1 153 153 ARG H H 1 7.9141 0 . 1 . . . . . 153 ARG H . 52200 1 761 . 1 . 1 153 153 ARG C C 13 180.06 0 . 1 . . . . . 153 ARG C . 52200 1 762 . 1 . 1 153 153 ARG CA C 13 55 0 . 1 . . . . . 153 ARG CA . 52200 1 763 . 1 . 1 153 153 ARG CB C 13 28.49 0 . 1 . . . . . 153 ARG CB . 52200 1 764 . 1 . 1 153 153 ARG N N 15 121.11 0 . 1 . . . . . 153 ARG N . 52200 1 765 . 1 . 1 154 154 GLY H H 1 8.5836 0 . 1 . . . . . 154 GLY H . 52200 1 766 . 1 . 1 154 154 GLY C C 13 176.12 0 . 1 . . . . . 154 GLY C . 52200 1 767 . 1 . 1 154 154 GLY CA C 13 46.69 0 . 1 . . . . . 154 GLY CA . 52200 1 768 . 1 . 1 154 154 GLY N N 15 114.62 0 . 1 . . . . . 154 GLY N . 52200 1 769 . 1 . 1 155 155 ALA H H 1 7.2081 0 . 1 . . . . . 155 ALA H . 52200 1 770 . 1 . 1 155 155 ALA C C 13 177.84 0 . 1 . . . . . 155 ALA C . 52200 1 771 . 1 . 1 155 155 ALA CA C 13 55.05 0 . 1 . . . . . 155 ALA CA . 52200 1 772 . 1 . 1 155 155 ALA CB C 13 16.61 0 . 1 . . . . . 155 ALA CB . 52200 1 773 . 1 . 1 155 155 ALA N N 15 127.16 0 . 1 . . . . . 155 ALA N . 52200 1 774 . 1 . 1 156 156 LEU H H 1 7.8943 0 . 1 . . . . . 156 LEU H . 52200 1 775 . 1 . 1 156 156 LEU C C 13 178.33 0 . 1 . . . . . 156 LEU C . 52200 1 776 . 1 . 1 156 156 LEU CA C 13 57.72 0 . 1 . . . . . 156 LEU CA . 52200 1 777 . 1 . 1 156 156 LEU CB C 13 43.04 0 . 1 . . . . . 156 LEU CB . 52200 1 778 . 1 . 1 156 156 LEU N N 15 117.64 0 . 1 . . . . . 156 LEU N . 52200 1 779 . 1 . 1 157 157 ALA H H 1 7.9058 0 . 1 . . . . . 157 ALA H . 52200 1 780 . 1 . 1 157 157 ALA C C 13 179.3 0 . 1 . . . . . 157 ALA C . 52200 1 781 . 1 . 1 157 157 ALA CA C 13 54.52 0 . 1 . . . . . 157 ALA CA . 52200 1 782 . 1 . 1 157 157 ALA CB C 13 18.36 0 . 1 . . . . . 157 ALA CB . 52200 1 783 . 1 . 1 157 157 ALA N N 15 120.36 0 . 1 . . . . . 157 ALA N . 52200 1 784 . 1 . 1 158 158 LEU H H 1 7.1778 0 . 1 . . . . . 158 LEU H . 52200 1 785 . 1 . 1 158 158 LEU C C 13 178.84 0 . 1 . . . . . 158 LEU C . 52200 1 786 . 1 . 1 158 158 LEU CA C 13 58.29 0 . 1 . . . . . 158 LEU CA . 52200 1 787 . 1 . 1 158 158 LEU CB C 13 42.85 0 . 1 . . . . . 158 LEU CB . 52200 1 788 . 1 . 1 158 158 LEU N N 15 116.74 0 . 1 . . . . . 158 LEU N . 52200 1 789 . 1 . 1 159 159 VAL H H 1 7.121 0 . 1 . . . . . 159 VAL H . 52200 1 790 . 1 . 1 159 159 VAL C C 13 179.58 0 . 1 . . . . . 159 VAL C . 52200 1 791 . 1 . 1 159 159 VAL CA C 13 64.52 0 . 1 . . . . . 159 VAL CA . 52200 1 792 . 1 . 1 159 159 VAL CB C 13 31.55 0 . 1 . . . . . 159 VAL CB . 52200 1 793 . 1 . 1 159 159 VAL N N 15 119.28 0 . 1 . . . . . 159 VAL N . 52200 1 794 . 1 . 1 160 160 GLU H H 1 8.69 0 . 1 . . . . . 160 GLU H . 52200 1 795 . 1 . 1 160 160 GLU C C 13 179.37 0 . 1 . . . . . 160 GLU C . 52200 1 796 . 1 . 1 160 160 GLU CA C 13 59.86 0 . 1 . . . . . 160 GLU CA . 52200 1 797 . 1 . 1 160 160 GLU CB C 13 30.29 0 . 1 . . . . . 160 GLU CB . 52200 1 798 . 1 . 1 160 160 GLU N N 15 120.98 0 . 1 . . . . . 160 GLU N . 52200 1 799 . 1 . 1 161 161 ARG H H 1 7.9591 0 . 1 . . . . . 161 ARG H . 52200 1 800 . 1 . 1 161 161 ARG C C 13 175.61 0 . 1 . . . . . 161 ARG C . 52200 1 801 . 1 . 1 161 161 ARG CA C 13 56.37 0 . 1 . . . . . 161 ARG CA . 52200 1 802 . 1 . 1 161 161 ARG CB C 13 31.02 0 . 1 . . . . . 161 ARG CB . 52200 1 803 . 1 . 1 161 161 ARG N N 15 114.69 0 . 1 . . . . . 161 ARG N . 52200 1 804 . 1 . 1 162 162 ASN H H 1 8.5004 0 . 1 . . . . . 162 ASN H . 52200 1 805 . 1 . 1 162 162 ASN HD21 H 1 6.6234 0 . 2 . . . . . 162 ASN HD21 . 52200 1 806 . 1 . 1 162 162 ASN HD22 H 1 7.4497 0 . 2 . . . . . 162 ASN HD22 . 52200 1 807 . 1 . 1 162 162 ASN C C 13 174.88 0 . 1 . . . . . 162 ASN C . 52200 1 808 . 1 . 1 162 162 ASN CA C 13 54.56 0 . 1 . . . . . 162 ASN CA . 52200 1 809 . 1 . 1 162 162 ASN CB C 13 37.9 0 . 1 . . . . . 162 ASN CB . 52200 1 810 . 1 . 1 162 162 ASN N N 15 117.78 0 . 1 . . . . . 162 ASN N . 52200 1 811 . 1 . 1 162 162 ASN ND2 N 15 111.2638 0 . 1 . . . . . 162 ASN ND2 . 52200 1 812 . 1 . 1 163 163 GLU H H 1 8.5083 0 . 1 . . . . . 163 GLU H . 52200 1 813 . 1 . 1 163 163 GLU C C 13 175.83 0 . 1 . . . . . 163 GLU C . 52200 1 814 . 1 . 1 163 163 GLU CA C 13 56.94 0 . 1 . . . . . 163 GLU CA . 52200 1 815 . 1 . 1 163 163 GLU CB C 13 30.65 0 . 1 . . . . . 163 GLU CB . 52200 1 816 . 1 . 1 163 163 GLU N N 15 117.28 0 . 1 . . . . . 163 GLU N . 52200 1 817 . 1 . 1 164 164 ALA H H 1 7.3457 0 . 1 . . . . . 164 ALA H . 52200 1 818 . 1 . 1 164 164 ALA C C 13 174.94 0 . 1 . . . . . 164 ALA C . 52200 1 819 . 1 . 1 164 164 ALA CA C 13 49.24 0 . 1 . . . . . 164 ALA CA . 52200 1 820 . 1 . 1 164 164 ALA CB C 13 22.18 0 . 1 . . . . . 164 ALA CB . 52200 1 821 . 1 . 1 164 164 ALA N N 15 124.03 0 . 1 . . . . . 164 ALA N . 52200 1 822 . 1 . 1 165 165 PRO C C 13 176.42 0 . 1 . . . . . 165 PRO C . 52200 1 823 . 1 . 1 165 165 PRO CA C 13 63.47 0 . 1 . . . . . 165 PRO CA . 52200 1 824 . 1 . 1 165 165 PRO CB C 13 32.91 0 . 1 . . . . . 165 PRO CB . 52200 1 825 . 1 . 1 166 166 LEU H H 1 7.1275 0 . 1 . . . . . 166 LEU H . 52200 1 826 . 1 . 1 166 166 LEU C C 13 175.99 0 . 1 . . . . . 166 LEU C . 52200 1 827 . 1 . 1 166 166 LEU CA C 13 52.32 0 . 1 . . . . . 166 LEU CA . 52200 1 828 . 1 . 1 166 166 LEU CB C 13 49.6 0 . 1 . . . . . 166 LEU CB . 52200 1 829 . 1 . 1 166 166 LEU N N 15 114.44 0 . 1 . . . . . 166 LEU N . 52200 1 830 . 1 . 1 167 167 GLY H H 1 8.6479 0 . 1 . . . . . 167 GLY H . 52200 1 831 . 1 . 1 167 167 GLY C C 13 171.21 0 . 1 . . . . . 167 GLY C . 52200 1 832 . 1 . 1 167 167 GLY CA C 13 45.5 0 . 1 . . . . . 167 GLY CA . 52200 1 833 . 1 . 1 167 167 GLY N N 15 107.15 0 . 1 . . . . . 167 GLY N . 52200 1 834 . 1 . 1 168 168 ILE H H 1 8.5618 0 . 1 . . . . . 168 ILE H . 52200 1 835 . 1 . 1 168 168 ILE C C 13 175.2 0 . 1 . . . . . 168 ILE C . 52200 1 836 . 1 . 1 168 168 ILE CA C 13 60.77 0 . 1 . . . . . 168 ILE CA . 52200 1 837 . 1 . 1 168 168 ILE CB C 13 38.47 0 . 1 . . . . . 168 ILE CB . 52200 1 838 . 1 . 1 168 168 ILE N N 15 122.28 0 . 1 . . . . . 168 ILE N . 52200 1 839 . 1 . 1 169 169 VAL H H 1 8.2952 0 . 1 . . . . . 169 VAL H . 52200 1 840 . 1 . 1 169 169 VAL C C 13 173.64 0 . 1 . . . . . 169 VAL C . 52200 1 841 . 1 . 1 169 169 VAL CA C 13 57.29 0 . 1 . . . . . 169 VAL CA . 52200 1 842 . 1 . 1 169 169 VAL CB C 13 34.36 0 . 1 . . . . . 169 VAL CB . 52200 1 843 . 1 . 1 169 169 VAL N N 15 120.28 0 . 1 . . . . . 169 VAL N . 52200 1 844 . 1 . 1 170 170 TYR H H 1 9.2815 0 . 1 . . . . . 170 TYR H . 52200 1 845 . 1 . 1 170 170 TYR C C 13 180.08 0 . 1 . . . . . 170 TYR C . 52200 1 846 . 1 . 1 170 170 TYR CA C 13 57.44 0 . 1 . . . . . 170 TYR CA . 52200 1 847 . 1 . 1 170 170 TYR CB C 13 39.85 0 . 1 . . . . . 170 TYR CB . 52200 1 848 . 1 . 1 170 170 TYR N N 15 118.25 0 . 1 . . . . . 170 TYR N . 52200 1 849 . 1 . 1 171 171 GLY H H 1 8.4107 0 . 1 . . . . . 171 GLY H . 52200 1 850 . 1 . 1 171 171 GLY C C 13 177.74 0 . 1 . . . . . 171 GLY C . 52200 1 851 . 1 . 1 171 171 GLY CA C 13 48.22 0 . 1 . . . . . 171 GLY CA . 52200 1 852 . 1 . 1 171 171 GLY N N 15 110.7 0 . 1 . . . . . 171 GLY N . 52200 1 853 . 1 . 1 172 172 SER H H 1 7.8615 0 . 1 . . . . . 172 SER H . 52200 1 854 . 1 . 1 172 172 SER C C 13 177 0 . 1 . . . . . 172 SER C . 52200 1 855 . 1 . 1 172 172 SER CA C 13 61.04 0 . 1 . . . . . 172 SER CA . 52200 1 856 . 1 . 1 172 172 SER CB C 13 60.03 0 . 1 . . . . . 172 SER CB . 52200 1 857 . 1 . 1 172 172 SER N N 15 115.82 0 . 1 . . . . . 172 SER N . 52200 1 858 . 1 . 1 173 173 ASP H H 1 7.5108 0 . 1 . . . . . 173 ASP H . 52200 1 859 . 1 . 1 173 173 ASP C C 13 177.25 0 . 1 . . . . . 173 ASP C . 52200 1 860 . 1 . 1 173 173 ASP CA C 13 58.32 0 . 1 . . . . . 173 ASP CA . 52200 1 861 . 1 . 1 173 173 ASP CB C 13 42.48 0 . 1 . . . . . 173 ASP CB . 52200 1 862 . 1 . 1 173 173 ASP N N 15 125.61 0 . 1 . . . . . 173 ASP N . 52200 1 863 . 1 . 1 174 174 ALA H H 1 6.9637 0 . 1 . . . . . 174 ALA H . 52200 1 864 . 1 . 1 174 174 ALA C C 13 178.56 0 . 1 . . . . . 174 ALA C . 52200 1 865 . 1 . 1 174 174 ALA CA C 13 53.7 0 . 1 . . . . . 174 ALA CA . 52200 1 866 . 1 . 1 174 174 ALA CB C 13 18.91 0 . 1 . . . . . 174 ALA CB . 52200 1 867 . 1 . 1 174 174 ALA N N 15 118.26 0 . 1 . . . . . 174 ALA N . 52200 1 868 . 1 . 1 175 175 VAL H H 1 7.2576 0 . 1 . . . . . 175 VAL H . 52200 1 869 . 1 . 1 175 175 VAL C C 13 177.74 0 . 1 . . . . . 175 VAL C . 52200 1 870 . 1 . 1 175 175 VAL CA C 13 65.24 0 . 1 . . . . . 175 VAL CA . 52200 1 871 . 1 . 1 175 175 VAL CB C 13 31.47 0 . 1 . . . . . 175 VAL CB . 52200 1 872 . 1 . 1 175 175 VAL N N 15 118.12 0 . 1 . . . . . 175 VAL N . 52200 1 873 . 1 . 1 176 176 ALA H H 1 7.4355 0 . 1 . . . . . 176 ALA H . 52200 1 874 . 1 . 1 176 176 ALA C C 13 177.62 0 . 1 . . . . . 176 ALA C . 52200 1 875 . 1 . 1 176 176 ALA CA C 13 53.44 0 . 1 . . . . . 176 ALA CA . 52200 1 876 . 1 . 1 176 176 ALA CB C 13 19.44 0 . 1 . . . . . 176 ALA CB . 52200 1 877 . 1 . 1 176 176 ALA N N 15 120.48 0 . 1 . . . . . 176 ALA N . 52200 1 878 . 1 . 1 177 177 SER H H 1 7.3394 0 . 1 . . . . . 177 SER H . 52200 1 879 . 1 . 1 177 177 SER C C 13 175.04 0 . 1 . . . . . 177 SER C . 52200 1 880 . 1 . 1 177 177 SER CA C 13 56.75 0 . 1 . . . . . 177 SER CA . 52200 1 881 . 1 . 1 177 177 SER N N 15 112.01 0 . 1 . . . . . 177 SER N . 52200 1 882 . 1 . 1 178 178 LYS H H 1 8.7813 0 . 1 . . . . . 178 LYS H . 52200 1 883 . 1 . 1 178 178 LYS C C 13 177.61 0 . 1 . . . . . 178 LYS C . 52200 1 884 . 1 . 1 178 178 LYS CA C 13 55.69 0 . 1 . . . . . 178 LYS CA . 52200 1 885 . 1 . 1 178 178 LYS CB C 13 32.35 0 . 1 . . . . . 178 LYS CB . 52200 1 886 . 1 . 1 178 178 LYS N N 15 125.34 0 . 1 . . . . . 178 LYS N . 52200 1 887 . 1 . 1 179 179 GLY H H 1 8.8282 0 . 1 . . . . . 179 GLY H . 52200 1 888 . 1 . 1 179 179 GLY C C 13 174.87 0 . 1 . . . . . 179 GLY C . 52200 1 889 . 1 . 1 179 179 GLY CA C 13 45.47 0 . 1 . . . . . 179 GLY CA . 52200 1 890 . 1 . 1 179 179 GLY N N 15 106.49 0 . 1 . . . . . 179 GLY N . 52200 1 891 . 1 . 1 180 180 VAL H H 1 7.4232 0 . 1 . . . . . 180 VAL H . 52200 1 892 . 1 . 1 180 180 VAL C C 13 173.3 0 . 1 . . . . . 180 VAL C . 52200 1 893 . 1 . 1 180 180 VAL CA C 13 58.31 0 . 1 . . . . . 180 VAL CA . 52200 1 894 . 1 . 1 180 180 VAL CB C 13 36.58 0 . 1 . . . . . 180 VAL CB . 52200 1 895 . 1 . 1 180 180 VAL N N 15 113.03 0 . 1 . . . . . 180 VAL N . 52200 1 896 . 1 . 1 181 181 LYS H H 1 9.1924 0 . 1 . . . . . 181 LYS H . 52200 1 897 . 1 . 1 181 181 LYS C C 13 174.44 0 . 1 . . . . . 181 LYS C . 52200 1 898 . 1 . 1 181 181 LYS CA C 13 53.36 0 . 1 . . . . . 181 LYS CA . 52200 1 899 . 1 . 1 181 181 LYS CB C 13 36.28 0 . 1 . . . . . 181 LYS CB . 52200 1 900 . 1 . 1 181 181 LYS N N 15 117.92 0 . 1 . . . . . 181 LYS N . 52200 1 901 . 1 . 1 182 182 VAL H H 1 8.9166 0 . 1 . . . . . 182 VAL H . 52200 1 902 . 1 . 1 182 182 VAL C C 13 177.05 0 . 1 . . . . . 182 VAL C . 52200 1 903 . 1 . 1 182 182 VAL CA C 13 63.55 0 . 1 . . . . . 182 VAL CA . 52200 1 904 . 1 . 1 182 182 VAL CB C 13 32.25 0 . 1 . . . . . 182 VAL CB . 52200 1 905 . 1 . 1 182 182 VAL N N 15 124.31 0 . 1 . . . . . 182 VAL N . 52200 1 906 . 1 . 1 183 183 VAL H H 1 8.706 0 . 1 . . . . . 183 VAL H . 52200 1 907 . 1 . 1 183 183 VAL C C 13 173.12 0 . 1 . . . . . 183 VAL C . 52200 1 908 . 1 . 1 183 183 VAL CA C 13 60.21 0 . 1 . . . . . 183 VAL CA . 52200 1 909 . 1 . 1 183 183 VAL CB C 13 32.9 0 . 1 . . . . . 183 VAL CB . 52200 1 910 . 1 . 1 183 183 VAL N N 15 120.16 0 . 1 . . . . . 183 VAL N . 52200 1 911 . 1 . 1 184 184 ALA H H 1 7.4875 0 . 1 . . . . . 184 ALA H . 52200 1 912 . 1 . 1 184 184 ALA C C 13 175.55 0 . 1 . . . . . 184 ALA C . 52200 1 913 . 1 . 1 184 184 ALA CA C 13 52.55 0 . 1 . . . . . 184 ALA CA . 52200 1 914 . 1 . 1 184 184 ALA CB C 13 22.44 0 . 1 . . . . . 184 ALA CB . 52200 1 915 . 1 . 1 184 184 ALA N N 15 120.76 0 . 1 . . . . . 184 ALA N . 52200 1 916 . 1 . 1 185 185 THR H H 1 8.3552 0 . 1 . . . . . 185 THR H . 52200 1 917 . 1 . 1 185 185 THR C C 13 174.55 0 . 1 . . . . . 185 THR C . 52200 1 918 . 1 . 1 185 185 THR CA C 13 61.41 0 . 1 . . . . . 185 THR CA . 52200 1 919 . 1 . 1 185 185 THR CB C 13 70.85 0 . 1 . . . . . 185 THR CB . 52200 1 920 . 1 . 1 185 185 THR N N 15 114.95 0 . 1 . . . . . 185 THR N . 52200 1 921 . 1 . 1 186 186 PHE H H 1 9.0518 0 . 1 . . . . . 186 PHE H . 52200 1 922 . 1 . 1 186 186 PHE C C 13 174.52 0 . 1 . . . . . 186 PHE C . 52200 1 923 . 1 . 1 186 186 PHE CA C 13 58.06 0 . 1 . . . . . 186 PHE CA . 52200 1 924 . 1 . 1 186 186 PHE CB C 13 38.13 0 . 1 . . . . . 186 PHE CB . 52200 1 925 . 1 . 1 186 186 PHE N N 15 126.23 0 . 1 . . . . . 186 PHE N . 52200 1 926 . 1 . 1 187 187 PRO C C 13 179.11 0 . 1 . . . . . 187 PRO C . 52200 1 927 . 1 . 1 187 187 PRO CA C 13 62.22 0 . 1 . . . . . 187 PRO CA . 52200 1 928 . 1 . 1 187 187 PRO CB C 13 32.55 0 . 1 . . . . . 187 PRO CB . 52200 1 929 . 1 . 1 188 188 GLU H H 1 9.3579 0 . 1 . . . . . 188 GLU H . 52200 1 930 . 1 . 1 188 188 GLU C C 13 176.08 0 . 1 . . . . . 188 GLU C . 52200 1 931 . 1 . 1 188 188 GLU CA C 13 58.99 0 . 1 . . . . . 188 GLU CA . 52200 1 932 . 1 . 1 188 188 GLU CB C 13 29.62 0 . 1 . . . . . 188 GLU CB . 52200 1 933 . 1 . 1 188 188 GLU N N 15 127.69 0 . 1 . . . . . 188 GLU N . 52200 1 934 . 1 . 1 189 189 ASP H H 1 8.2166 0 . 1 . . . . . 189 ASP H . 52200 1 935 . 1 . 1 189 189 ASP C C 13 176.71 0 . 1 . . . . . 189 ASP C . 52200 1 936 . 1 . 1 189 189 ASP CA C 13 53.76 0 . 1 . . . . . 189 ASP CA . 52200 1 937 . 1 . 1 189 189 ASP CB C 13 39.9 0 . 1 . . . . . 189 ASP CB . 52200 1 938 . 1 . 1 189 189 ASP N N 15 113.89 0 . 1 . . . . . 189 ASP N . 52200 1 939 . 1 . 1 190 190 SER H H 1 7.7539 0 . 1 . . . . . 190 SER H . 52200 1 940 . 1 . 1 190 190 SER C C 13 171.85 0 . 1 . . . . . 190 SER C . 52200 1 941 . 1 . 1 190 190 SER CA C 13 59.81 0 . 1 . . . . . 190 SER CA . 52200 1 942 . 1 . 1 190 190 SER CB C 13 65.08 0 . 1 . . . . . 190 SER CB . 52200 1 943 . 1 . 1 190 190 SER N N 15 113.72 0 . 1 . . . . . 190 SER N . 52200 1 944 . 1 . 1 191 191 HIS H H 1 6.9909 0 . 1 . . . . . 191 HIS H . 52200 1 945 . 1 . 1 191 191 HIS C C 13 173.24 0 . 1 . . . . . 191 HIS C . 52200 1 946 . 1 . 1 191 191 HIS CA C 13 53.09 0 . 1 . . . . . 191 HIS CA . 52200 1 947 . 1 . 1 191 191 HIS CB C 13 31.99 0 . 1 . . . . . 191 HIS CB . 52200 1 948 . 1 . 1 191 191 HIS N N 15 112.62 0 . 1 . . . . . 191 HIS N . 52200 1 949 . 1 . 1 192 192 LYS H H 1 9.7372 0 . 1 . . . . . 192 LYS H . 52200 1 950 . 1 . 1 192 192 LYS C C 13 177.59 0 . 1 . . . . . 192 LYS C . 52200 1 951 . 1 . 1 192 192 LYS CA C 13 56.56 0 . 1 . . . . . 192 LYS CA . 52200 1 952 . 1 . 1 192 192 LYS CB C 13 32.28 0 . 1 . . . . . 192 LYS CB . 52200 1 953 . 1 . 1 192 192 LYS N N 15 122.92 0 . 1 . . . . . 192 LYS N . 52200 1 954 . 1 . 1 193 193 LYS H H 1 8.844 0 . 1 . . . . . 193 LYS H . 52200 1 955 . 1 . 1 193 193 LYS C C 13 176.88 0 . 1 . . . . . 193 LYS C . 52200 1 956 . 1 . 1 193 193 LYS CA C 13 57.38 0 . 1 . . . . . 193 LYS CA . 52200 1 957 . 1 . 1 193 193 LYS CB C 13 32.93 0 . 1 . . . . . 193 LYS CB . 52200 1 958 . 1 . 1 193 193 LYS N N 15 126.88 0 . 1 . . . . . 193 LYS N . 52200 1 959 . 1 . 1 194 194 VAL H H 1 8.8877 0 . 1 . . . . . 194 VAL H . 52200 1 960 . 1 . 1 194 194 VAL C C 13 175.9 0 . 1 . . . . . 194 VAL C . 52200 1 961 . 1 . 1 194 194 VAL CA C 13 62.6 0 . 1 . . . . . 194 VAL CA . 52200 1 962 . 1 . 1 194 194 VAL CB C 13 29.52 0 . 1 . . . . . 194 VAL CB . 52200 1 963 . 1 . 1 194 194 VAL N N 15 125.52 0 . 1 . . . . . 194 VAL N . 52200 1 964 . 1 . 1 195 195 GLU H H 1 7.1727 0 . 1 . . . . . 195 GLU H . 52200 1 965 . 1 . 1 195 195 GLU C C 13 172.51 0 . 1 . . . . . 195 GLU C . 52200 1 966 . 1 . 1 195 195 GLU CA C 13 54.29 0 . 1 . . . . . 195 GLU CA . 52200 1 967 . 1 . 1 195 195 GLU CB C 13 36.68 0 . 1 . . . . . 195 GLU CB . 52200 1 968 . 1 . 1 195 195 GLU N N 15 128.94 0 . 1 . . . . . 195 GLU N . 52200 1 969 . 1 . 1 196 196 TYR H H 1 8.4302 0 . 1 . . . . . 196 TYR H . 52200 1 970 . 1 . 1 196 196 TYR N N 15 117.78 0 . 1 . . . . . 196 TYR N . 52200 1 971 . 1 . 1 197 197 PRO C C 13 172.94 0 . 1 . . . . . 197 PRO C . 52200 1 972 . 1 . 1 197 197 PRO CA C 13 60.75 0 . 1 . . . . . 197 PRO CA . 52200 1 973 . 1 . 1 197 197 PRO CB C 13 33 0 . 1 . . . . . 197 PRO CB . 52200 1 974 . 1 . 1 198 198 VAL H H 1 8.8951 0 . 1 . . . . . 198 VAL H . 52200 1 975 . 1 . 1 198 198 VAL C C 13 172.17 0 . 1 . . . . . 198 VAL C . 52200 1 976 . 1 . 1 198 198 VAL CA C 13 57.11 0 . 1 . . . . . 198 VAL CA . 52200 1 977 . 1 . 1 198 198 VAL CB C 13 35.17 0 . 1 . . . . . 198 VAL CB . 52200 1 978 . 1 . 1 198 198 VAL N N 15 119.01 0 . 1 . . . . . 198 VAL N . 52200 1 979 . 1 . 1 199 199 ALA H H 1 8.3744 0 . 1 . . . . . 199 ALA H . 52200 1 980 . 1 . 1 199 199 ALA C C 13 174.71 0 . 1 . . . . . 199 ALA C . 52200 1 981 . 1 . 1 199 199 ALA CA C 13 51.74 0 . 1 . . . . . 199 ALA CA . 52200 1 982 . 1 . 1 199 199 ALA CB C 13 25.5 0 . 1 . . . . . 199 ALA CB . 52200 1 983 . 1 . 1 199 199 ALA N N 15 123.41 0 . 1 . . . . . 199 ALA N . 52200 1 984 . 1 . 1 200 200 VAL H H 1 8.8192 0 . 1 . . . . . 200 VAL H . 52200 1 985 . 1 . 1 200 200 VAL C C 13 175.06 0 . 1 . . . . . 200 VAL C . 52200 1 986 . 1 . 1 200 200 VAL CA C 13 61.68 0 . 1 . . . . . 200 VAL CA . 52200 1 987 . 1 . 1 200 200 VAL N N 15 121.5 0 . 1 . . . . . 200 VAL N . 52200 1 988 . 1 . 1 201 201 VAL H H 1 7.9172 0 . 1 . . . . . 201 VAL H . 52200 1 989 . 1 . 1 201 201 VAL C C 13 175.65 0 . 1 . . . . . 201 VAL C . 52200 1 990 . 1 . 1 201 201 VAL CA C 13 63.38 0 . 1 . . . . . 201 VAL CA . 52200 1 991 . 1 . 1 201 201 VAL CB C 13 32.39 0 . 1 . . . . . 201 VAL CB . 52200 1 992 . 1 . 1 201 201 VAL N N 15 130.33 0 . 1 . . . . . 201 VAL N . 52200 1 993 . 1 . 1 202 202 GLU H H 1 8.3008 0 . 1 . . . . . 202 GLU H . 52200 1 994 . 1 . 1 202 202 GLU C C 13 177.5 0 . 1 . . . . . 202 GLU C . 52200 1 995 . 1 . 1 202 202 GLU CA C 13 58.33 0 . 1 . . . . . 202 GLU CA . 52200 1 996 . 1 . 1 202 202 GLU CB C 13 28.85 0 . 1 . . . . . 202 GLU CB . 52200 1 997 . 1 . 1 202 202 GLU N N 15 129.23 0 . 1 . . . . . 202 GLU N . 52200 1 998 . 1 . 1 203 203 GLY H H 1 8.863 0 . 1 . . . . . 203 GLY H . 52200 1 999 . 1 . 1 203 203 GLY C C 13 176.51 0 . 1 . . . . . 203 GLY C . 52200 1 1000 . 1 . 1 203 203 GLY CA C 13 45.17 0 . 1 . . . . . 203 GLY CA . 52200 1 1001 . 1 . 1 203 203 GLY N N 15 116.42 0 . 1 . . . . . 203 GLY N . 52200 1 1002 . 1 . 1 204 204 HIS H H 1 8.6428 0 . 1 . . . . . 204 HIS H . 52200 1 1003 . 1 . 1 204 204 HIS C C 13 172.93 0 . 1 . . . . . 204 HIS C . 52200 1 1004 . 1 . 1 204 204 HIS CA C 13 55.12 0 . 1 . . . . . 204 HIS CA . 52200 1 1005 . 1 . 1 204 204 HIS CB C 13 28.35 0 . 1 . . . . . 204 HIS CB . 52200 1 1006 . 1 . 1 204 204 HIS N N 15 119.04 0 . 1 . . . . . 204 HIS N . 52200 1 1007 . 1 . 1 205 205 ASN H H 1 8.3277 0 . 1 . . . . . 205 ASN H . 52200 1 1008 . 1 . 1 205 205 ASN HD21 H 1 7.4074 0 . 2 . . . . . 205 ASN HD21 . 52200 1 1009 . 1 . 1 205 205 ASN HD22 H 1 6.2919 0 . 2 . . . . . 205 ASN HD22 . 52200 1 1010 . 1 . 1 205 205 ASN C C 13 174.82 0 . 1 . . . . . 205 ASN C . 52200 1 1011 . 1 . 1 205 205 ASN CA C 13 52.77 0 . 1 . . . . . 205 ASN CA . 52200 1 1012 . 1 . 1 205 205 ASN CB C 13 37.58 0 . 1 . . . . . 205 ASN CB . 52200 1 1013 . 1 . 1 205 205 ASN N N 15 119.56 0 . 1 . . . . . 205 ASN N . 52200 1 1014 . 1 . 1 205 205 ASN ND2 N 15 109.1139 0 . 1 . . . . . 205 ASN ND2 . 52200 1 1015 . 1 . 1 206 206 ASN H H 1 7.7039 0 . 1 . . . . . 206 ASN H . 52200 1 1016 . 1 . 1 206 206 ASN HD21 H 1 7.572 0 . 2 . . . . . 206 ASN HD21 . 52200 1 1017 . 1 . 1 206 206 ASN HD22 H 1 7.0068 0 . 2 . . . . . 206 ASN HD22 . 52200 1 1018 . 1 . 1 206 206 ASN C C 13 174.81 0 . 1 . . . . . 206 ASN C . 52200 1 1019 . 1 . 1 206 206 ASN CA C 13 51.71 0 . 1 . . . . . 206 ASN CA . 52200 1 1020 . 1 . 1 206 206 ASN CB C 13 39.93 0 . 1 . . . . . 206 ASN CB . 52200 1 1021 . 1 . 1 206 206 ASN N N 15 120.31 0 . 1 . . . . . 206 ASN N . 52200 1 1022 . 1 . 1 206 206 ASN ND2 N 15 116.6286 0 . 1 . . . . . 206 ASN ND2 . 52200 1 1023 . 1 . 1 207 207 ALA H H 1 8.7706 0 . 1 . . . . . 207 ALA H . 52200 1 1024 . 1 . 1 207 207 ALA C C 13 180.28 0 . 1 . . . . . 207 ALA C . 52200 1 1025 . 1 . 1 207 207 ALA CA C 13 55.71 0 . 1 . . . . . 207 ALA CA . 52200 1 1026 . 1 . 1 207 207 ALA CB C 13 19.05 0 . 1 . . . . . 207 ALA CB . 52200 1 1027 . 1 . 1 207 207 ALA N N 15 120.43 0 . 1 . . . . . 207 ALA N . 52200 1 1028 . 1 . 1 208 208 THR H H 1 8.2777 0 . 1 . . . . . 208 THR H . 52200 1 1029 . 1 . 1 208 208 THR C C 13 175.47 0 . 1 . . . . . 208 THR C . 52200 1 1030 . 1 . 1 208 208 THR CA C 13 66.56 0 . 1 . . . . . 208 THR CA . 52200 1 1031 . 1 . 1 208 208 THR CB C 13 68.4 0 . 1 . . . . . 208 THR CB . 52200 1 1032 . 1 . 1 208 208 THR N N 15 118.52 0 . 1 . . . . . 208 THR N . 52200 1 1033 . 1 . 1 209 209 VAL H H 1 8.1743 0 . 1 . . . . . 209 VAL H . 52200 1 1034 . 1 . 1 209 209 VAL C C 13 178.51 0 . 1 . . . . . 209 VAL C . 52200 1 1035 . 1 . 1 209 209 VAL CA C 13 66.99 0 . 1 . . . . . 209 VAL CA . 52200 1 1036 . 1 . 1 209 209 VAL CB C 13 33.23 0 . 1 . . . . . 209 VAL CB . 52200 1 1037 . 1 . 1 209 209 VAL N N 15 124.07 0 . 1 . . . . . 209 VAL N . 52200 1 1038 . 1 . 1 210 210 LYS H H 1 8.8822 0 . 1 . . . . . 210 LYS H . 52200 1 1039 . 1 . 1 210 210 LYS C C 13 177.57 0 . 1 . . . . . 210 LYS C . 52200 1 1040 . 1 . 1 210 210 LYS CA C 13 58.81 0 . 1 . . . . . 210 LYS CA . 52200 1 1041 . 1 . 1 210 210 LYS CB C 13 32.54 0 . 1 . . . . . 210 LYS CB . 52200 1 1042 . 1 . 1 210 210 LYS N N 15 120.27 0 . 1 . . . . . 210 LYS N . 52200 1 1043 . 1 . 1 211 211 ALA H H 1 7.7031 0 . 1 . . . . . 211 ALA H . 52200 1 1044 . 1 . 1 211 211 ALA C C 13 181.17 0 . 1 . . . . . 211 ALA C . 52200 1 1045 . 1 . 1 211 211 ALA CA C 13 55.04 0 . 1 . . . . . 211 ALA CA . 52200 1 1046 . 1 . 1 211 211 ALA CB C 13 18.16 0 . 1 . . . . . 211 ALA CB . 52200 1 1047 . 1 . 1 211 211 ALA N N 15 120.15 0 . 1 . . . . . 211 ALA N . 52200 1 1048 . 1 . 1 212 212 PHE H H 1 7.7875 0 . 1 . . . . . 212 PHE H . 52200 1 1049 . 1 . 1 212 212 PHE C C 13 175.47 0 . 1 . . . . . 212 PHE C . 52200 1 1050 . 1 . 1 212 212 PHE CA C 13 60.56 0 . 1 . . . . . 212 PHE CA . 52200 1 1051 . 1 . 1 212 212 PHE CB C 13 40.03 0 . 1 . . . . . 212 PHE CB . 52200 1 1052 . 1 . 1 212 212 PHE N N 15 120.66 0 . 1 . . . . . 212 PHE N . 52200 1 1053 . 1 . 1 213 213 TYR H H 1 8.8181 0 . 1 . . . . . 213 TYR H . 52200 1 1054 . 1 . 1 213 213 TYR C C 13 177.13 0 . 1 . . . . . 213 TYR C . 52200 1 1055 . 1 . 1 213 213 TYR CA C 13 61.48 0 . 1 . . . . . 213 TYR CA . 52200 1 1056 . 1 . 1 213 213 TYR CB C 13 38.68 0 . 1 . . . . . 213 TYR CB . 52200 1 1057 . 1 . 1 213 213 TYR N N 15 122.32 0 . 1 . . . . . 213 TYR N . 52200 1 1058 . 1 . 1 214 214 ASP H H 1 9.0117 0 . 1 . . . . . 214 ASP H . 52200 1 1059 . 1 . 1 214 214 ASP C C 13 179.63 0 . 1 . . . . . 214 ASP C . 52200 1 1060 . 1 . 1 214 214 ASP CA C 13 56.93 0 . 1 . . . . . 214 ASP CA . 52200 1 1061 . 1 . 1 214 214 ASP CB C 13 39.91 0 . 1 . . . . . 214 ASP CB . 52200 1 1062 . 1 . 1 214 214 ASP N N 15 118.39 0 . 1 . . . . . 214 ASP N . 52200 1 1063 . 1 . 1 215 215 TYR H H 1 7.8509 0 . 1 . . . . . 215 TYR H . 52200 1 1064 . 1 . 1 215 215 TYR C C 13 178.96 0 . 1 . . . . . 215 TYR C . 52200 1 1065 . 1 . 1 215 215 TYR CA C 13 61.54 0 . 1 . . . . . 215 TYR CA . 52200 1 1066 . 1 . 1 215 215 TYR CB C 13 39.35 0 . 1 . . . . . 215 TYR CB . 52200 1 1067 . 1 . 1 215 215 TYR N N 15 124.85 0 . 1 . . . . . 215 TYR N . 52200 1 1068 . 1 . 1 216 216 LEU H H 1 7.8454 0 . 1 . . . . . 216 LEU H . 52200 1 1069 . 1 . 1 216 216 LEU C C 13 175.83 0 . 1 . . . . . 216 LEU C . 52200 1 1070 . 1 . 1 216 216 LEU CA C 13 57.06 0 . 1 . . . . . 216 LEU CA . 52200 1 1071 . 1 . 1 216 216 LEU CB C 13 41.63 0 . 1 . . . . . 216 LEU CB . 52200 1 1072 . 1 . 1 216 216 LEU N N 15 119.1 0 . 1 . . . . . 216 LEU N . 52200 1 1073 . 1 . 1 217 217 LYS H H 1 6.8334 0 . 1 . . . . . 217 LYS H . 52200 1 1074 . 1 . 1 217 217 LYS C C 13 176.96 0 . 1 . . . . . 217 LYS C . 52200 1 1075 . 1 . 1 217 217 LYS CA C 13 55.14 0 . 1 . . . . . 217 LYS CA . 52200 1 1076 . 1 . 1 217 217 LYS CB C 13 32.52 0 . 1 . . . . . 217 LYS CB . 52200 1 1077 . 1 . 1 217 217 LYS N N 15 113.28 0 . 1 . . . . . 217 LYS N . 52200 1 1078 . 1 . 1 218 218 GLY H H 1 7.6501 0 . 1 . . . . . 218 GLY H . 52200 1 1079 . 1 . 1 218 218 GLY C C 13 173.36 0 . 1 . . . . . 218 GLY C . 52200 1 1080 . 1 . 1 218 218 GLY CA C 13 44.95 0 . 1 . . . . . 218 GLY CA . 52200 1 1081 . 1 . 1 218 218 GLY N N 15 109.62 0 . 1 . . . . . 218 GLY N . 52200 1 1082 . 1 . 1 219 219 PRO C C 13 179.58 0 . 1 . . . . . 219 PRO C . 52200 1 1083 . 1 . 1 219 219 PRO CA C 13 64.49 0 . 1 . . . . . 219 PRO CA . 52200 1 1084 . 1 . 1 219 219 PRO CB C 13 32.06 0 . 1 . . . . . 219 PRO CB . 52200 1 1085 . 1 . 1 220 220 GLN H H 1 7.7653 0 . 1 . . . . . 220 GLN H . 52200 1 1086 . 1 . 1 220 220 GLN HE21 H 1 7.701 0 . 2 . . . . . 220 GLN HE21 . 52200 1 1087 . 1 . 1 220 220 GLN HE22 H 1 7.0276 0 . 2 . . . . . 220 GLN HE22 . 52200 1 1088 . 1 . 1 220 220 GLN C C 13 179.32 0 . 1 . . . . . 220 GLN C . 52200 1 1089 . 1 . 1 220 220 GLN CA C 13 59.42 0 . 1 . . . . . 220 GLN CA . 52200 1 1090 . 1 . 1 220 220 GLN CB C 13 27.44 0 . 1 . . . . . 220 GLN CB . 52200 1 1091 . 1 . 1 220 220 GLN N N 15 120.83 0 . 1 . . . . . 220 GLN N . 52200 1 1092 . 1 . 1 220 220 GLN NE2 N 15 113.6297 0 . 1 . . . . . 220 GLN NE2 . 52200 1 1093 . 1 . 1 221 221 ALA H H 1 8.2858 0 . 1 . . . . . 221 ALA H . 52200 1 1094 . 1 . 1 221 221 ALA C C 13 178.3 0 . 1 . . . . . 221 ALA C . 52200 1 1095 . 1 . 1 221 221 ALA CA C 13 54.51 0 . 1 . . . . . 221 ALA CA . 52200 1 1096 . 1 . 1 221 221 ALA CB C 13 18.44 0 . 1 . . . . . 221 ALA CB . 52200 1 1097 . 1 . 1 221 221 ALA N N 15 123.28 0 . 1 . . . . . 221 ALA N . 52200 1 1098 . 1 . 1 222 222 ALA H H 1 7.9929 0 . 1 . . . . . 222 ALA H . 52200 1 1099 . 1 . 1 222 222 ALA C C 13 179.5 0 . 1 . . . . . 222 ALA C . 52200 1 1100 . 1 . 1 222 222 ALA CA C 13 55.88 0 . 1 . . . . . 222 ALA CA . 52200 1 1101 . 1 . 1 222 222 ALA CB C 13 18.6 0 . 1 . . . . . 222 ALA CB . 52200 1 1102 . 1 . 1 222 222 ALA N N 15 119.59 0 . 1 . . . . . 222 ALA N . 52200 1 1103 . 1 . 1 223 223 GLU H H 1 7.383 0 . 1 . . . . . 223 GLU H . 52200 1 1104 . 1 . 1 223 223 GLU C C 13 179.27 0 . 1 . . . . . 223 GLU C . 52200 1 1105 . 1 . 1 223 223 GLU CA C 13 59.03 0 . 1 . . . . . 223 GLU CA . 52200 1 1106 . 1 . 1 223 223 GLU CB C 13 29.77 0 . 1 . . . . . 223 GLU CB . 52200 1 1107 . 1 . 1 223 223 GLU N N 15 115.81 0 . 1 . . . . . 223 GLU N . 52200 1 1108 . 1 . 1 224 224 ILE H H 1 7.2351 0 . 1 . . . . . 224 ILE H . 52200 1 1109 . 1 . 1 224 224 ILE C C 13 177.8 0 . 1 . . . . . 224 ILE C . 52200 1 1110 . 1 . 1 224 224 ILE CA C 13 65.58 0 . 1 . . . . . 224 ILE CA . 52200 1 1111 . 1 . 1 224 224 ILE CB C 13 37.99 0 . 1 . . . . . 224 ILE CB . 52200 1 1112 . 1 . 1 224 224 ILE N N 15 122.02 0 . 1 . . . . . 224 ILE N . 52200 1 1113 . 1 . 1 225 225 PHE H H 1 8.9805 0 . 1 . . . . . 225 PHE H . 52200 1 1114 . 1 . 1 225 225 PHE C C 13 179.16 0 . 1 . . . . . 225 PHE C . 52200 1 1115 . 1 . 1 225 225 PHE CA C 13 61.68 0 . 1 . . . . . 225 PHE CA . 52200 1 1116 . 1 . 1 225 225 PHE CB C 13 38.27 0 . 1 . . . . . 225 PHE CB . 52200 1 1117 . 1 . 1 225 225 PHE N N 15 119.15 0 . 1 . . . . . 225 PHE N . 52200 1 1118 . 1 . 1 226 226 LYS H H 1 8.5672 0 . 1 . . . . . 226 LYS H . 52200 1 1119 . 1 . 1 226 226 LYS C C 13 180.97 0 . 1 . . . . . 226 LYS C . 52200 1 1120 . 1 . 1 226 226 LYS CA C 13 59.71 0 . 1 . . . . . 226 LYS CA . 52200 1 1121 . 1 . 1 226 226 LYS CB C 13 32.61 0 . 1 . . . . . 226 LYS CB . 52200 1 1122 . 1 . 1 226 226 LYS N N 15 118.79 0 . 1 . . . . . 226 LYS N . 52200 1 1123 . 1 . 1 227 227 ARG H H 1 8.0198 0 . 1 . . . . . 227 ARG H . 52200 1 1124 . 1 . 1 227 227 ARG C C 13 178.07 0 . 1 . . . . . 227 ARG C . 52200 1 1125 . 1 . 1 227 227 ARG CA C 13 58.84 0 . 1 . . . . . 227 ARG CA . 52200 1 1126 . 1 . 1 227 227 ARG CB C 13 29.76 0 . 1 . . . . . 227 ARG CB . 52200 1 1127 . 1 . 1 227 227 ARG N N 15 123.25 0 . 1 . . . . . 227 ARG N . 52200 1 1128 . 1 . 1 228 228 TYR H H 1 7.7153 0 . 1 . . . . . 228 TYR H . 52200 1 1129 . 1 . 1 228 228 TYR C C 13 173.88 0 . 1 . . . . . 228 TYR C . 52200 1 1130 . 1 . 1 228 228 TYR N N 15 117.37 0 . 1 . . . . . 228 TYR N . 52200 1 1131 . 1 . 1 229 229 GLY H H 1 7.7387 0 . 1 . . . . . 229 GLY H . 52200 1 1132 . 1 . 1 229 229 GLY C C 13 173.96 0 . 1 . . . . . 229 GLY C . 52200 1 1133 . 1 . 1 229 229 GLY CA C 13 45.68 0 . 1 . . . . . 229 GLY CA . 52200 1 1134 . 1 . 1 229 229 GLY N N 15 103.48 0 . 1 . . . . . 229 GLY N . 52200 1 1135 . 1 . 1 230 230 PHE H H 1 7.9172 0 . 1 . . . . . 230 PHE H . 52200 1 1136 . 1 . 1 230 230 PHE C C 13 175.85 0 . 1 . . . . . 230 PHE C . 52200 1 1137 . 1 . 1 230 230 PHE CA C 13 58.49 0 . 1 . . . . . 230 PHE CA . 52200 1 1138 . 1 . 1 230 230 PHE CB C 13 40.92 0 . 1 . . . . . 230 PHE CB . 52200 1 1139 . 1 . 1 230 230 PHE N N 15 118.71 0 . 1 . . . . . 230 PHE N . 52200 1 1140 . 1 . 1 231 231 THR H H 1 7.8959 0 . 1 . . . . . 231 THR H . 52200 1 1141 . 1 . 1 231 231 THR C C 13 173.72 0 . 1 . . . . . 231 THR C . 52200 1 1142 . 1 . 1 231 231 THR CA C 13 60.24 0 . 1 . . . . . 231 THR CA . 52200 1 1143 . 1 . 1 231 231 THR CB C 13 70.08 0 . 1 . . . . . 231 THR CB . 52200 1 1144 . 1 . 1 231 231 THR N N 15 112.97 0 . 1 . . . . . 231 THR N . 52200 1 1145 . 1 . 1 232 232 ILE H H 1 8.5038 0 . 1 . . . . . 232 ILE H . 52200 1 1146 . 1 . 1 232 232 ILE C C 13 175.91 0 . 1 . . . . . 232 ILE C . 52200 1 1147 . 1 . 1 232 232 ILE CA C 13 59.67 0 . 1 . . . . . 232 ILE CA . 52200 1 1148 . 1 . 1 232 232 ILE CB C 13 37.95 0 . 1 . . . . . 232 ILE CB . 52200 1 1149 . 1 . 1 232 232 ILE N N 15 123.83 0 . 1 . . . . . 232 ILE N . 52200 1 1150 . 1 . 1 233 233 LYS H H 1 7.4733 0 . 1 . . . . . 233 LYS H . 52200 1 1151 . 1 . 1 233 233 LYS C C 13 181.12 0 . 1 . . . . . 233 LYS C . 52200 1 1152 . 1 . 1 233 233 LYS CA C 13 56.94 0 . 1 . . . . . 233 LYS CA . 52200 1 1153 . 1 . 1 233 233 LYS CB C 13 32.55 0 . 1 . . . . . 233 LYS CB . 52200 1 1154 . 1 . 1 233 233 LYS N N 15 132.58 0 . 1 . . . . . 233 LYS N . 52200 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52200 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'ModA-molybdate at pH 4.5' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 6 '2D 1H-15N HSQC' . . . 52200 2 7 '3D CBCA(CO)NH' . . . 52200 2 8 '3D HNCACB' . . . 52200 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52200 2 2 $software_2 . . 52200 2 3 $software_3 . . 52200 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ASP CA C 13 53.39 0 . 1 . . . . . 1 ASP CA . 52200 2 2 . 1 . 1 1 1 ASP CB C 13 39.90 0 . 1 . . . . . 1 ASP CB . 52200 2 3 . 1 . 1 2 2 GLU H H 1 8.7835 0 . 1 . . . . . 2 GLU H . 52200 2 4 . 1 . 1 2 2 GLU CA C 13 50.84 0 . 1 . . . . . 2 GLU CA . 52200 2 5 . 1 . 1 2 2 GLU CB C 13 29.99 0 . 1 . . . . . 2 GLU CB . 52200 2 6 . 1 . 1 2 2 GLU N N 15 121.18 0 . 1 . . . . . 2 GLU N . 52200 2 7 . 1 . 1 3 3 GLY H H 1 8.6057 0 . 1 . . . . . 3 GLY H . 52200 2 8 . 1 . 1 3 3 GLY CA C 13 45.38 0 . 1 . . . . . 3 GLY CA . 52200 2 9 . 1 . 1 3 3 GLY N N 15 110.21 0 . 1 . . . . . 3 GLY N . 52200 2 10 . 1 . 1 4 4 LYS H H 1 7.899 0 . 1 . . . . . 4 LYS H . 52200 2 11 . 1 . 1 4 4 LYS CA C 13 54.83 0 . 1 . . . . . 4 LYS CA . 52200 2 12 . 1 . 1 4 4 LYS CB C 13 35.64 0 . 1 . . . . . 4 LYS CB . 52200 2 13 . 1 . 1 4 4 LYS N N 15 120.57 0 . 1 . . . . . 4 LYS N . 52200 2 14 . 1 . 1 5 5 ILE H H 1 8.4165 0 . 1 . . . . . 5 ILE H . 52200 2 15 . 1 . 1 5 5 ILE CA C 13 59.41 0 . 1 . . . . . 5 ILE CA . 52200 2 16 . 1 . 1 5 5 ILE CB C 13 41.80 0 . 1 . . . . . 5 ILE CB . 52200 2 17 . 1 . 1 5 5 ILE N N 15 123.11 0 . 1 . . . . . 5 ILE N . 52200 2 18 . 1 . 1 6 6 THR H H 1 9.7891 0 . 1 . . . . . 6 THR H . 52200 2 19 . 1 . 1 6 6 THR CA C 13 61.34 0 . 1 . . . . . 6 THR CA . 52200 2 20 . 1 . 1 6 6 THR CB C 13 69.45 0 . 1 . . . . . 6 THR CB . 52200 2 21 . 1 . 1 6 6 THR N N 15 123.88 0 . 1 . . . . . 6 THR N . 52200 2 22 . 1 . 1 7 7 VAL H H 1 9.2767 0 . 1 . . . . . 7 VAL H . 52200 2 23 . 1 . 1 7 7 VAL CA C 13 60.55 0 . 1 . . . . . 7 VAL CA . 52200 2 24 . 1 . 1 7 7 VAL CB C 13 34.62 0 . 1 . . . . . 7 VAL CB . 52200 2 25 . 1 . 1 7 7 VAL N N 15 129.61 0 . 1 . . . . . 7 VAL N . 52200 2 26 . 1 . 1 8 8 PHE H H 1 8.9443 0 . 1 . . . . . 8 PHE H . 52200 2 27 . 1 . 1 8 8 PHE CA C 13 54.04 0 . 1 . . . . . 8 PHE CA . 52200 2 28 . 1 . 1 8 8 PHE CB C 13 38.55 0 . 1 . . . . . 8 PHE CB . 52200 2 29 . 1 . 1 8 8 PHE N N 15 131.06 0 . 1 . . . . . 8 PHE N . 52200 2 30 . 1 . 1 9 9 ALA H H 1 8.8687 0 . 1 . . . . . 9 ALA H . 52200 2 31 . 1 . 1 9 9 ALA CA C 13 49.48 0 . 1 . . . . . 9 ALA CA . 52200 2 32 . 1 . 1 9 9 ALA CB C 13 22.95 0 . 1 . . . . . 9 ALA CB . 52200 2 33 . 1 . 1 9 9 ALA N N 15 128.33 0 . 1 . . . . . 9 ALA N . 52200 2 34 . 1 . 1 10 10 ALA H H 1 7.6952 0 . 1 . . . . . 10 ALA H . 52200 2 35 . 1 . 1 10 10 ALA CA C 13 52.70 0 . 1 . . . . . 10 ALA CA . 52200 2 36 . 1 . 1 10 10 ALA CB C 13 20.82 0 . 1 . . . . . 10 ALA CB . 52200 2 37 . 1 . 1 10 10 ALA N N 15 123.89 0 . 1 . . . . . 10 ALA N . 52200 2 38 . 1 . 1 11 11 ALA H H 1 7.8678 0 . 1 . . . . . 11 ALA H . 52200 2 39 . 1 . 1 11 11 ALA CA C 13 55.84 0 . 1 . . . . . 11 ALA CA . 52200 2 40 . 1 . 1 11 11 ALA CB C 13 19.08 0 . 1 . . . . . 11 ALA CB . 52200 2 41 . 1 . 1 11 11 ALA N N 15 125.09 0 . 1 . . . . . 11 ALA N . 52200 2 42 . 1 . 1 12 12 SER H H 1 9.7883 0 . 1 . . . . . 12 SER H . 52200 2 43 . 1 . 1 12 12 SER CA C 13 60.05 0 . 1 . . . . . 12 SER CA . 52200 2 44 . 1 . 1 12 12 SER CB C 13 63.42 0 . 1 . . . . . 12 SER CB . 52200 2 45 . 1 . 1 12 12 SER N N 15 113.04 0 . 1 . . . . . 12 SER N . 52200 2 46 . 1 . 1 13 13 LEU H H 1 9.3039 0 . 1 . . . . . 13 LEU H . 52200 2 47 . 1 . 1 13 13 LEU CA C 13 55.50 0 . 1 . . . . . 13 LEU CA . 52200 2 48 . 1 . 1 13 13 LEU CB C 13 42.40 0 . 1 . . . . . 13 LEU CB . 52200 2 49 . 1 . 1 13 13 LEU N N 15 125.41 0 . 1 . . . . . 13 LEU N . 52200 2 50 . 1 . 1 14 14 THR H H 1 7.2284 0 . 1 . . . . . 14 THR H . 52200 2 51 . 1 . 1 14 14 THR CA C 13 65.96 0 . 1 . . . . . 14 THR CA . 52200 2 52 . 1 . 1 14 14 THR CB C 13 70.37 0 . 1 . . . . . 14 THR CB . 52200 2 53 . 1 . 1 14 14 THR N N 15 115.56 0 . 1 . . . . . 14 THR N . 52200 2 54 . 1 . 1 15 15 ASN H H 1 7.1245 0 . 1 . . . . . 15 ASN H . 52200 2 55 . 1 . 1 15 15 ASN CA C 13 57.01 0 . 1 . . . . . 15 ASN CA . 52200 2 56 . 1 . 1 15 15 ASN CB C 13 38.82 0 . 1 . . . . . 15 ASN CB . 52200 2 57 . 1 . 1 15 15 ASN N N 15 116.41 0 . 1 . . . . . 15 ASN N . 52200 2 58 . 1 . 1 16 16 ALA H H 1 7.8024 0 . 1 . . . . . 16 ALA H . 52200 2 59 . 1 . 1 16 16 ALA CA C 13 54.80 0 . 1 . . . . . 16 ALA CA . 52200 2 60 . 1 . 1 16 16 ALA CB C 13 18.74 0 . 1 . . . . . 16 ALA CB . 52200 2 61 . 1 . 1 16 16 ALA N N 15 120.76 0 . 1 . . . . . 16 ALA N . 52200 2 62 . 1 . 1 17 17 MET H H 1 8.644 0 . 1 . . . . . 17 MET H . 52200 2 63 . 1 . 1 17 17 MET CA C 13 55.15 0 . 1 . . . . . 17 MET CA . 52200 2 64 . 1 . 1 17 17 MET CB C 13 29.48 0 . 1 . . . . . 17 MET CB . 52200 2 65 . 1 . 1 17 17 MET N N 15 113.02 0 . 1 . . . . . 17 MET N . 52200 2 66 . 1 . 1 18 18 GLN H H 1 7.7157 0 . 1 . . . . . 18 GLN H . 52200 2 67 . 1 . 1 18 18 GLN CA C 13 59.63 0 . 1 . . . . . 18 GLN CA . 52200 2 68 . 1 . 1 18 18 GLN CB C 13 28.38 0 . 1 . . . . . 18 GLN CB . 52200 2 69 . 1 . 1 18 18 GLN N N 15 120.53 0 . 1 . . . . . 18 GLN N . 52200 2 70 . 1 . 1 19 19 ASP H H 1 7.4758 0 . 1 . . . . . 19 ASP H . 52200 2 71 . 1 . 1 19 19 ASP CA C 13 57.33 0 . 1 . . . . . 19 ASP CA . 52200 2 72 . 1 . 1 19 19 ASP CB C 13 40.47 0 . 1 . . . . . 19 ASP CB . 52200 2 73 . 1 . 1 19 19 ASP N N 15 121.57 0 . 1 . . . . . 19 ASP N . 52200 2 74 . 1 . 1 20 20 ILE H H 1 8.594 0 . 1 . . . . . 20 ILE H . 52200 2 75 . 1 . 1 20 20 ILE CA C 13 65.73 0 . 1 . . . . . 20 ILE CA . 52200 2 76 . 1 . 1 20 20 ILE CB C 13 38.21 0 . 1 . . . . . 20 ILE CB . 52200 2 77 . 1 . 1 20 20 ILE N N 15 123.84 0 . 1 . . . . . 20 ILE N . 52200 2 78 . 1 . 1 21 21 ALA H H 1 8.8292 0 . 1 . . . . . 21 ALA H . 52200 2 79 . 1 . 1 21 21 ALA CA C 13 55.86 0 . 1 . . . . . 21 ALA CA . 52200 2 80 . 1 . 1 21 21 ALA CB C 13 18.92 0 . 1 . . . . . 21 ALA CB . 52200 2 81 . 1 . 1 21 21 ALA N N 15 123.06 0 . 1 . . . . . 21 ALA N . 52200 2 82 . 1 . 1 22 22 THR H H 1 8.1577 0 . 1 . . . . . 22 THR H . 52200 2 83 . 1 . 1 22 22 THR CA C 13 66.51 0 . 1 . . . . . 22 THR CA . 52200 2 84 . 1 . 1 22 22 THR CB C 13 68.87 0 . 1 . . . . . 22 THR CB . 52200 2 85 . 1 . 1 22 22 THR N N 15 117.09 0 . 1 . . . . . 22 THR N . 52200 2 86 . 1 . 1 23 23 GLN H H 1 8.0367 0 . 1 . . . . . 23 GLN H . 52200 2 87 . 1 . 1 23 23 GLN CA C 13 58.85 0 . 1 . . . . . 23 GLN CA . 52200 2 88 . 1 . 1 23 23 GLN CB C 13 28.43 0 . 1 . . . . . 23 GLN CB . 52200 2 89 . 1 . 1 23 23 GLN N N 15 123.36 0 . 1 . . . . . 23 GLN N . 52200 2 90 . 1 . 1 24 24 PHE H H 1 9.1843 0 . 1 . . . . . 24 PHE H . 52200 2 91 . 1 . 1 24 24 PHE CA C 13 62.13 0 . 1 . . . . . 24 PHE CA . 52200 2 92 . 1 . 1 24 24 PHE CB C 13 39.99 0 . 1 . . . . . 24 PHE CB . 52200 2 93 . 1 . 1 24 24 PHE N N 15 121.87 0 . 1 . . . . . 24 PHE N . 52200 2 94 . 1 . 1 25 25 LYS H H 1 8.1967 0 . 1 . . . . . 25 LYS H . 52200 2 95 . 1 . 1 25 25 LYS CA C 13 59.20 0 . 1 . . . . . 25 LYS CA . 52200 2 96 . 1 . 1 25 25 LYS CB C 13 32.25 0 . 1 . . . . . 25 LYS CB . 52200 2 97 . 1 . 1 25 25 LYS N N 15 120.40 0 . 1 . . . . . 25 LYS N . 52200 2 98 . 1 . 1 26 26 LYS H H 1 7.6765 0 . 1 . . . . . 26 LYS H . 52200 2 99 . 1 . 1 26 26 LYS CA C 13 59.31 0 . 1 . . . . . 26 LYS CA . 52200 2 100 . 1 . 1 26 26 LYS CB C 13 32.59 0 . 1 . . . . . 26 LYS CB . 52200 2 101 . 1 . 1 26 26 LYS N N 15 120.54 0 . 1 . . . . . 26 LYS N . 52200 2 102 . 1 . 1 27 27 GLU H H 1 8.0264 0 . 1 . . . . . 27 GLU H . 52200 2 103 . 1 . 1 27 27 GLU CA C 13 58.29 0 . 1 . . . . . 27 GLU CA . 52200 2 104 . 1 . 1 27 27 GLU CB C 13 30.76 0 . 1 . . . . . 27 GLU CB . 52200 2 105 . 1 . 1 27 27 GLU N N 15 116.27 0 . 1 . . . . . 27 GLU N . 52200 2 106 . 1 . 1 28 28 LYS H H 1 8.3803 0 . 1 . . . . . 28 LYS H . 52200 2 107 . 1 . 1 28 28 LYS CA C 13 54.18 0 . 1 . . . . . 28 LYS CA . 52200 2 108 . 1 . 1 28 28 LYS CB C 13 33.58 0 . 1 . . . . . 28 LYS CB . 52200 2 109 . 1 . 1 28 28 LYS N N 15 115.41 0 . 1 . . . . . 28 LYS N . 52200 2 110 . 1 . 1 29 29 GLY H H 1 8.0561 0 . 1 . . . . . 29 GLY H . 52200 2 111 . 1 . 1 29 29 GLY CA C 13 46.16 0 . 1 . . . . . 29 GLY CA . 52200 2 112 . 1 . 1 29 29 GLY N N 15 108.99 0 . 1 . . . . . 29 GLY N . 52200 2 113 . 1 . 1 30 30 VAL H H 1 6.0651 0 . 1 . . . . . 30 VAL H . 52200 2 114 . 1 . 1 30 30 VAL CA C 13 60.86 0 . 1 . . . . . 30 VAL CA . 52200 2 115 . 1 . 1 30 30 VAL CB C 13 35.19 0 . 1 . . . . . 30 VAL CB . 52200 2 116 . 1 . 1 30 30 VAL N N 15 120.83 0 . 1 . . . . . 30 VAL N . 52200 2 117 . 1 . 1 31 31 ASP H H 1 8.153 0 . 1 . . . . . 31 ASP H . 52200 2 118 . 1 . 1 31 31 ASP CA C 13 54.48 0 . 1 . . . . . 31 ASP CA . 52200 2 119 . 1 . 1 31 31 ASP CB C 13 41.89 0 . 1 . . . . . 31 ASP CB . 52200 2 120 . 1 . 1 31 31 ASP N N 15 124.96 0 . 1 . . . . . 31 ASP N . 52200 2 121 . 1 . 1 32 32 VAL H H 1 8.193 0 . 1 . . . . . 32 VAL H . 52200 2 122 . 1 . 1 32 32 VAL CA C 13 61.02 0 . 1 . . . . . 32 VAL CA . 52200 2 123 . 1 . 1 32 32 VAL CB C 13 33.10 0 . 1 . . . . . 32 VAL CB . 52200 2 124 . 1 . 1 32 32 VAL N N 15 124.66 0 . 1 . . . . . 32 VAL N . 52200 2 125 . 1 . 1 33 33 VAL H H 1 9.3329 0 . 1 . . . . . 33 VAL H . 52200 2 126 . 1 . 1 33 33 VAL CA C 13 61.10 0 . 1 . . . . . 33 VAL CA . 52200 2 127 . 1 . 1 33 33 VAL CB C 13 33.16 0 . 1 . . . . . 33 VAL CB . 52200 2 128 . 1 . 1 33 33 VAL N N 15 131.44 0 . 1 . . . . . 33 VAL N . 52200 2 129 . 1 . 1 34 34 SER H H 1 8.2133 0 . 1 . . . . . 34 SER H . 52200 2 130 . 1 . 1 34 34 SER CA C 13 57.03 0 . 1 . . . . . 34 SER CA . 52200 2 131 . 1 . 1 34 34 SER CB C 13 66.45 0 . 1 . . . . . 34 SER CB . 52200 2 132 . 1 . 1 34 34 SER N N 15 122.63 0 . 1 . . . . . 34 SER N . 52200 2 133 . 1 . 1 35 35 SER H H 1 8.4648 0 . 1 . . . . . 35 SER H . 52200 2 134 . 1 . 1 35 35 SER CA C 13 57.01 0 . 1 . . . . . 35 SER CA . 52200 2 135 . 1 . 1 35 35 SER CB C 13 64.94 0 . 1 . . . . . 35 SER CB . 52200 2 136 . 1 . 1 35 35 SER N N 15 120.41 0 . 1 . . . . . 35 SER N . 52200 2 137 . 1 . 1 36 36 PHE H H 1 8.352 0 . 1 . . . . . 36 PHE H . 52200 2 138 . 1 . 1 36 36 PHE CA C 13 55.43 0 . 1 . . . . . 36 PHE CA . 52200 2 139 . 1 . 1 36 36 PHE CB C 13 42.59 0 . 1 . . . . . 36 PHE CB . 52200 2 140 . 1 . 1 36 36 PHE N N 15 123.09 0 . 1 . . . . . 36 PHE N . 52200 2 141 . 1 . 1 37 37 ALA H H 1 7.9307 0 . 1 . . . . . 37 ALA H . 52200 2 142 . 1 . 1 37 37 ALA CA C 13 51.00 0 . 1 . . . . . 37 ALA CA . 52200 2 143 . 1 . 1 37 37 ALA CB C 13 20.91 0 . 1 . . . . . 37 ALA CB . 52200 2 144 . 1 . 1 37 37 ALA N N 15 122.53 0 . 1 . . . . . 37 ALA N . 52200 2 145 . 1 . 1 38 38 SER H H 1 8.7232 0 . 1 . . . . . 38 SER H . 52200 2 146 . 1 . 1 38 38 SER CA C 13 58.73 0 . 1 . . . . . 38 SER CA . 52200 2 147 . 1 . 1 38 38 SER CB C 13 63.05 0 . 1 . . . . . 38 SER CB . 52200 2 148 . 1 . 1 38 38 SER N N 15 114.97 0 . 1 . . . . . 38 SER N . 52200 2 149 . 1 . 1 39 39 SER H H 1 10.3908 0 . 1 . . . . . 39 SER H . 52200 2 150 . 1 . 1 39 39 SER CA C 13 53.64 0 . 1 . . . . . 39 SER CA . 52200 2 151 . 1 . 1 39 39 SER CB C 13 62.87 0 . 1 . . . . . 39 SER CB . 52200 2 152 . 1 . 1 39 39 SER N N 15 125.79 0 . 1 . . . . . 39 SER N . 52200 2 153 . 1 . 1 40 40 SER CA C 13 58.91 0 . 1 . . . . . 40 SER CA . 52200 2 154 . 1 . 1 40 40 SER CB C 13 60.79 0 . 1 . . . . . 40 SER CB . 52200 2 155 . 1 . 1 41 41 THR H H 1 6.982 0 . 1 . . . . . 41 THR H . 52200 2 156 . 1 . 1 41 41 THR CA C 13 65.26 0 . 1 . . . . . 41 THR CA . 52200 2 157 . 1 . 1 41 41 THR CB C 13 68.82 0 . 1 . . . . . 41 THR CB . 52200 2 158 . 1 . 1 41 41 THR N N 15 123.07 0 . 1 . . . . . 41 THR N . 52200 2 159 . 1 . 1 42 42 LEU H H 1 7.7962 0 . 1 . . . . . 42 LEU H . 52200 2 160 . 1 . 1 42 42 LEU CA C 13 57.14 0 . 1 . . . . . 42 LEU CA . 52200 2 161 . 1 . 1 42 42 LEU CB C 13 42.67 0 . 1 . . . . . 42 LEU CB . 52200 2 162 . 1 . 1 42 42 LEU N N 15 120.14 0 . 1 . . . . . 42 LEU N . 52200 2 163 . 1 . 1 43 43 ALA H H 1 7.94 0 . 1 . . . . . 43 ALA H . 52200 2 164 . 1 . 1 43 43 ALA CA C 13 55.61 0 . 1 . . . . . 43 ALA CA . 52200 2 165 . 1 . 1 43 43 ALA CB C 13 20.24 0 . 1 . . . . . 43 ALA CB . 52200 2 166 . 1 . 1 43 43 ALA N N 15 121.78 0 . 1 . . . . . 43 ALA N . 52200 2 167 . 1 . 1 44 44 ARG H H 1 7.6623 0 . 1 . . . . . 44 ARG H . 52200 2 168 . 1 . 1 44 44 ARG CA C 13 59.05 0 . 1 . . . . . 44 ARG CA . 52200 2 169 . 1 . 1 44 44 ARG CB C 13 29.87 0 . 1 . . . . . 44 ARG CB . 52200 2 170 . 1 . 1 44 44 ARG N N 15 116.88 0 . 1 . . . . . 44 ARG N . 52200 2 171 . 1 . 1 45 45 GLN H H 1 8.1944 0 . 1 . . . . . 45 GLN H . 52200 2 172 . 1 . 1 45 45 GLN CA C 13 59.00 0 . 1 . . . . . 45 GLN CA . 52200 2 173 . 1 . 1 45 45 GLN CB C 13 28.43 0 . 1 . . . . . 45 GLN CB . 52200 2 174 . 1 . 1 45 45 GLN N N 15 121.75 0 . 1 . . . . . 45 GLN N . 52200 2 175 . 1 . 1 46 46 ILE H H 1 8.3378 0 . 1 . . . . . 46 ILE H . 52200 2 176 . 1 . 1 46 46 ILE CA C 13 65.75 0 . 1 . . . . . 46 ILE CA . 52200 2 177 . 1 . 1 46 46 ILE CB C 13 37.99 0 . 1 . . . . . 46 ILE CB . 52200 2 178 . 1 . 1 46 46 ILE N N 15 122.32 0 . 1 . . . . . 46 ILE N . 52200 2 179 . 1 . 1 47 47 GLU H H 1 8.4033 0 . 1 . . . . . 47 GLU H . 52200 2 180 . 1 . 1 47 47 GLU CA C 13 59.08 0 . 1 . . . . . 47 GLU CA . 52200 2 181 . 1 . 1 47 47 GLU CB C 13 29.25 0 . 1 . . . . . 47 GLU CB . 52200 2 182 . 1 . 1 47 47 GLU N N 15 124.31 0 . 1 . . . . . 47 GLU N . 52200 2 183 . 1 . 1 48 48 ALA H H 1 7.4738 0 . 1 . . . . . 48 ALA H . 52200 2 184 . 1 . 1 48 48 ALA CA C 13 52.27 0 . 1 . . . . . 48 ALA CA . 52200 2 185 . 1 . 1 48 48 ALA CB C 13 18.98 0 . 1 . . . . . 48 ALA CB . 52200 2 186 . 1 . 1 48 48 ALA N N 15 119.71 0 . 1 . . . . . 48 ALA N . 52200 2 187 . 1 . 1 49 49 GLY H H 1 7.7638 0 . 1 . . . . . 49 GLY H . 52200 2 188 . 1 . 1 49 49 GLY CA C 13 45.20 0 . 1 . . . . . 49 GLY CA . 52200 2 189 . 1 . 1 49 49 GLY N N 15 107.11 0 . 1 . . . . . 49 GLY N . 52200 2 190 . 1 . 1 50 50 ALA H H 1 8.1871 0 . 1 . . . . . 50 ALA H . 52200 2 191 . 1 . 1 50 50 ALA CA C 13 50.62 0 . 1 . . . . . 50 ALA CA . 52200 2 192 . 1 . 1 50 50 ALA CB C 13 19.14 0 . 1 . . . . . 50 ALA CB . 52200 2 193 . 1 . 1 50 50 ALA N N 15 126.16 0 . 1 . . . . . 50 ALA N . 52200 2 194 . 1 . 1 51 51 PRO CA C 13 62.85 0 . 1 . . . . . 51 PRO CA . 52200 2 195 . 1 . 1 51 51 PRO CB C 13 29.59 0 . 1 . . . . . 51 PRO CB . 52200 2 196 . 1 . 1 52 52 ALA H H 1 6.7675 0 . 1 . . . . . 52 ALA H . 52200 2 197 . 1 . 1 52 52 ALA CA C 13 51.64 0 . 1 . . . . . 52 ALA CA . 52200 2 198 . 1 . 1 52 52 ALA CB C 13 18.24 0 . 1 . . . . . 52 ALA CB . 52200 2 199 . 1 . 1 52 52 ALA N N 15 124.77 0 . 1 . . . . . 52 ALA N . 52200 2 200 . 1 . 1 53 53 ASP H H 1 8.4374 0 . 1 . . . . . 53 ASP H . 52200 2 201 . 1 . 1 53 53 ASP CA C 13 55.29 0 . 1 . . . . . 53 ASP CA . 52200 2 202 . 1 . 1 53 53 ASP CB C 13 44.34 0 . 1 . . . . . 53 ASP CB . 52200 2 203 . 1 . 1 53 53 ASP N N 15 115.20 0 . 1 . . . . . 53 ASP N . 52200 2 204 . 1 . 1 54 54 LEU H H 1 7.3967 0 . 1 . . . . . 54 LEU H . 52200 2 205 . 1 . 1 54 54 LEU CA C 13 53.84 0 . 1 . . . . . 54 LEU CA . 52200 2 206 . 1 . 1 54 54 LEU CB C 13 48.31 0 . 1 . . . . . 54 LEU CB . 52200 2 207 . 1 . 1 54 54 LEU N N 15 116.81 0 . 1 . . . . . 54 LEU N . 52200 2 208 . 1 . 1 55 55 PHE H H 1 8.7961 0 . 1 . . . . . 55 PHE H . 52200 2 209 . 1 . 1 55 55 PHE CA C 13 52.41 0 . 1 . . . . . 55 PHE CA . 52200 2 210 . 1 . 1 55 55 PHE CB C 13 42.96 0 . 1 . . . . . 55 PHE CB . 52200 2 211 . 1 . 1 55 55 PHE N N 15 123.86 0 . 1 . . . . . 55 PHE N . 52200 2 212 . 1 . 1 56 56 ILE H H 1 8.5956 0 . 1 . . . . . 56 ILE H . 52200 2 213 . 1 . 1 56 56 ILE CA C 13 60.18 0 . 1 . . . . . 56 ILE CA . 52200 2 214 . 1 . 1 56 56 ILE CB C 13 40.19 0 . 1 . . . . . 56 ILE CB . 52200 2 215 . 1 . 1 56 56 ILE N N 15 127.05 0 . 1 . . . . . 56 ILE N . 52200 2 216 . 1 . 1 57 57 SER H H 1 7.3921 0 . 1 . . . . . 57 SER H . 52200 2 217 . 1 . 1 57 57 SER CA C 13 54.09 0 . 1 . . . . . 57 SER CA . 52200 2 218 . 1 . 1 57 57 SER CB C 13 65.03 0 . 1 . . . . . 57 SER CB . 52200 2 219 . 1 . 1 57 57 SER N N 15 119.34 0 . 1 . . . . . 57 SER N . 52200 2 220 . 1 . 1 58 58 ALA H H 1 8.6478 0 . 1 . . . . . 58 ALA H . 52200 2 221 . 1 . 1 58 58 ALA CA C 13 51.41 0 . 1 . . . . . 58 ALA CA . 52200 2 222 . 1 . 1 58 58 ALA CB C 13 20.12 0 . 1 . . . . . 58 ALA CB . 52200 2 223 . 1 . 1 58 58 ALA N N 15 124.72 0 . 1 . . . . . 58 ALA N . 52200 2 224 . 1 . 1 59 59 ASP H H 1 8.1977 0 . 1 . . . . . 59 ASP H . 52200 2 225 . 1 . 1 59 59 ASP CA C 13 51.55 0 . 1 . . . . . 59 ASP CA . 52200 2 226 . 1 . 1 59 59 ASP CB C 13 41.83 0 . 1 . . . . . 59 ASP CB . 52200 2 227 . 1 . 1 59 59 ASP N N 15 111.24 0 . 1 . . . . . 59 ASP N . 52200 2 228 . 1 . 1 60 60 GLN H H 1 8.7286 0 . 1 . . . . . 60 GLN H . 52200 2 229 . 1 . 1 60 60 GLN CB C 13 26.77 0 . 1 . . . . . 60 GLN CB . 52200 2 230 . 1 . 1 60 60 GLN N N 15 118.50 0 . 1 . . . . . 60 GLN N . 52200 2 231 . 1 . 1 61 61 LYS H H 1 7.8814 0 . 1 . . . . . 61 LYS H . 52200 2 232 . 1 . 1 61 61 LYS CA C 13 59.53 0 . 1 . . . . . 61 LYS CA . 52200 2 233 . 1 . 1 61 61 LYS CB C 13 32.60 0 . 1 . . . . . 61 LYS CB . 52200 2 234 . 1 . 1 61 61 LYS N N 15 120.57 0 . 1 . . . . . 61 LYS N . 52200 2 235 . 1 . 1 62 62 TRP H H 1 7.8555 0 . 1 . . . . . 62 TRP H . 52200 2 236 . 1 . 1 62 62 TRP CA C 13 59.90 0 . 1 . . . . . 62 TRP CA . 52200 2 237 . 1 . 1 62 62 TRP CB C 13 28.26 0 . 1 . . . . . 62 TRP CB . 52200 2 238 . 1 . 1 62 62 TRP N N 15 116.88 0 . 1 . . . . . 62 TRP N . 52200 2 239 . 1 . 1 63 63 MET H H 1 7.1121 0 . 1 . . . . . 63 MET H . 52200 2 240 . 1 . 1 63 63 MET CA C 13 56.44 0 . 1 . . . . . 63 MET CA . 52200 2 241 . 1 . 1 63 63 MET CB C 13 31.96 0 . 1 . . . . . 63 MET CB . 52200 2 242 . 1 . 1 63 63 MET N N 15 120.25 0 . 1 . . . . . 63 MET N . 52200 2 243 . 1 . 1 64 64 ASP H H 1 9.042 0 . 1 . . . . . 64 ASP H . 52200 2 244 . 1 . 1 64 64 ASP CA C 13 57.58 0 . 1 . . . . . 64 ASP CA . 52200 2 245 . 1 . 1 64 64 ASP CB C 13 39.30 0 . 1 . . . . . 64 ASP CB . 52200 2 246 . 1 . 1 64 64 ASP N N 15 121.73 0 . 1 . . . . . 64 ASP N . 52200 2 247 . 1 . 1 65 65 TYR H H 1 8.0328 0 . 1 . . . . . 65 TYR H . 52200 2 248 . 1 . 1 65 65 TYR CA C 13 61.27 0 . 1 . . . . . 65 TYR CA . 52200 2 249 . 1 . 1 65 65 TYR CB C 13 39.16 0 . 1 . . . . . 65 TYR CB . 52200 2 250 . 1 . 1 65 65 TYR N N 15 120.62 0 . 1 . . . . . 65 TYR N . 52200 2 251 . 1 . 1 66 66 ALA H H 1 7.5239 0 . 1 . . . . . 66 ALA H . 52200 2 252 . 1 . 1 66 66 ALA CA C 13 55.60 0 . 1 . . . . . 66 ALA CA . 52200 2 253 . 1 . 1 66 66 ALA CB C 13 18.06 0 . 1 . . . . . 66 ALA CB . 52200 2 254 . 1 . 1 66 66 ALA N N 15 122.04 0 . 1 . . . . . 66 ALA N . 52200 2 255 . 1 . 1 67 67 VAL H H 1 8.7025 0 . 1 . . . . . 67 VAL H . 52200 2 256 . 1 . 1 67 67 VAL CA C 13 65.70 0 . 1 . . . . . 67 VAL CA . 52200 2 257 . 1 . 1 67 67 VAL CB C 13 32.10 0 . 1 . . . . . 67 VAL CB . 52200 2 258 . 1 . 1 67 67 VAL N N 15 120.85 0 . 1 . . . . . 67 VAL N . 52200 2 259 . 1 . 1 68 68 ASP H H 1 8.716 0 . 1 . . . . . 68 ASP H . 52200 2 260 . 1 . 1 68 68 ASP CA C 13 56.58 0 . 1 . . . . . 68 ASP CA . 52200 2 261 . 1 . 1 68 68 ASP CB C 13 40.10 0 . 1 . . . . . 68 ASP CB . 52200 2 262 . 1 . 1 68 68 ASP N N 15 124.87 0 . 1 . . . . . 68 ASP N . 52200 2 263 . 1 . 1 69 69 LYS H H 1 7.3407 0 . 1 . . . . . 69 LYS H . 52200 2 264 . 1 . 1 69 69 LYS CA C 13 53.57 0 . 1 . . . . . 69 LYS CA . 52200 2 265 . 1 . 1 69 69 LYS CB C 13 30.19 0 . 1 . . . . . 69 LYS CB . 52200 2 266 . 1 . 1 69 69 LYS N N 15 116.11 0 . 1 . . . . . 69 LYS N . 52200 2 267 . 1 . 1 70 70 LYS H H 1 8.173 0 . 1 . . . . . 70 LYS H . 52200 2 268 . 1 . 1 70 70 LYS CA C 13 56.97 0 . 1 . . . . . 70 LYS CA . 52200 2 269 . 1 . 1 70 70 LYS CB C 13 28.43 0 . 1 . . . . . 70 LYS CB . 52200 2 270 . 1 . 1 70 70 LYS N N 15 115.02 0 . 1 . . . . . 70 LYS N . 52200 2 271 . 1 . 1 71 71 ALA H H 1 7.754 0 . 1 . . . . . 71 ALA H . 52200 2 272 . 1 . 1 71 71 ALA CA C 13 51.90 0 . 1 . . . . . 71 ALA CA . 52200 2 273 . 1 . 1 71 71 ALA CB C 13 20.68 0 . 1 . . . . . 71 ALA CB . 52200 2 274 . 1 . 1 71 71 ALA N N 15 117.65 0 . 1 . . . . . 71 ALA N . 52200 2 275 . 1 . 1 72 72 ILE H H 1 7.7009 0 . 1 . . . . . 72 ILE H . 52200 2 276 . 1 . 1 72 72 ILE CA C 13 56.65 0 . 1 . . . . . 72 ILE CA . 52200 2 277 . 1 . 1 72 72 ILE CB C 13 40.75 0 . 1 . . . . . 72 ILE CB . 52200 2 278 . 1 . 1 72 72 ILE N N 15 118.44 0 . 1 . . . . . 72 ILE N . 52200 2 279 . 1 . 1 73 73 ASP H H 1 8.7461 0 . 1 . . . . . 73 ASP H . 52200 2 280 . 1 . 1 73 73 ASP CA C 13 52.84 0 . 1 . . . . . 73 ASP CA . 52200 2 281 . 1 . 1 73 73 ASP CB C 13 39.81 0 . 1 . . . . . 73 ASP CB . 52200 2 282 . 1 . 1 73 73 ASP N N 15 125.61 0 . 1 . . . . . 73 ASP N . 52200 2 283 . 1 . 1 74 74 THR H H 1 8.6302 0 . 1 . . . . . 74 THR H . 52200 2 284 . 1 . 1 74 74 THR CA C 13 65.87 0 . 1 . . . . . 74 THR CA . 52200 2 285 . 1 . 1 74 74 THR CB C 13 68.14 0 . 1 . . . . . 74 THR CB . 52200 2 286 . 1 . 1 74 74 THR N N 15 124.22 0 . 1 . . . . . 74 THR N . 52200 2 287 . 1 . 1 75 75 ALA H H 1 8.3705 0 . 1 . . . . . 75 ALA H . 52200 2 288 . 1 . 1 75 75 ALA CA C 13 54.18 0 . 1 . . . . . 75 ALA CA . 52200 2 289 . 1 . 1 75 75 ALA CB C 13 18.65 0 . 1 . . . . . 75 ALA CB . 52200 2 290 . 1 . 1 75 75 ALA N N 15 125.11 0 . 1 . . . . . 75 ALA N . 52200 2 291 . 1 . 1 76 76 THR H H 1 7.8308 0 . 1 . . . . . 76 THR H . 52200 2 292 . 1 . 1 76 76 THR CA C 13 61.13 0 . 1 . . . . . 76 THR CA . 52200 2 293 . 1 . 1 76 76 THR CB C 13 71.14 0 . 1 . . . . . 76 THR CB . 52200 2 294 . 1 . 1 76 76 THR N N 15 105.29 0 . 1 . . . . . 76 THR N . 52200 2 295 . 1 . 1 77 77 ARG H H 1 7.301 0 . 1 . . . . . 77 ARG H . 52200 2 296 . 1 . 1 77 77 ARG CA C 13 56.38 0 . 1 . . . . . 77 ARG CA . 52200 2 297 . 1 . 1 77 77 ARG CB C 13 30.86 0 . 1 . . . . . 77 ARG CB . 52200 2 298 . 1 . 1 77 77 ARG N N 15 126.25 0 . 1 . . . . . 77 ARG N . 52200 2 299 . 1 . 1 78 78 GLN H H 1 9.072 0 . 1 . . . . . 78 GLN H . 52200 2 300 . 1 . 1 78 78 GLN CA C 13 54.81 0 . 1 . . . . . 78 GLN CA . 52200 2 301 . 1 . 1 78 78 GLN CB C 13 33.09 0 . 1 . . . . . 78 GLN CB . 52200 2 302 . 1 . 1 78 78 GLN N N 15 127.23 0 . 1 . . . . . 78 GLN N . 52200 2 303 . 1 . 1 79 79 THR H H 1 9.2 0 . 1 . . . . . 79 THR H . 52200 2 304 . 1 . 1 79 79 THR CA C 13 64.67 0 . 1 . . . . . 79 THR CA . 52200 2 305 . 1 . 1 79 79 THR CB C 13 67.75 0 . 1 . . . . . 79 THR CB . 52200 2 306 . 1 . 1 79 79 THR N N 15 122.35 0 . 1 . . . . . 79 THR N . 52200 2 307 . 1 . 1 80 80 LEU H H 1 9.2009 0 . 1 . . . . . 80 LEU H . 52200 2 308 . 1 . 1 80 80 LEU CA C 13 56.06 0 . 1 . . . . . 80 LEU CA . 52200 2 309 . 1 . 1 80 80 LEU CB C 13 46.55 0 . 1 . . . . . 80 LEU CB . 52200 2 310 . 1 . 1 80 80 LEU N N 15 131.72 0 . 1 . . . . . 80 LEU N . 52200 2 311 . 1 . 1 81 81 LEU H H 1 6.7953 0 . 1 . . . . . 81 LEU H . 52200 2 312 . 1 . 1 81 81 LEU CA C 13 52.52 0 . 1 . . . . . 81 LEU CA . 52200 2 313 . 1 . 1 81 81 LEU CB C 13 47.03 0 . 1 . . . . . 81 LEU CB . 52200 2 314 . 1 . 1 81 81 LEU N N 15 113.55 0 . 1 . . . . . 81 LEU N . 52200 2 315 . 1 . 1 82 82 GLY H H 1 8.7739 0 . 1 . . . . . 82 GLY H . 52200 2 316 . 1 . 1 82 82 GLY CA C 13 44.02 0 . 1 . . . . . 82 GLY CA . 52200 2 317 . 1 . 1 82 82 GLY N N 15 109.03 0 . 1 . . . . . 82 GLY N . 52200 2 318 . 1 . 1 83 83 ASN H H 1 7.5397 0 . 1 . . . . . 83 ASN H . 52200 2 319 . 1 . 1 83 83 ASN CA C 13 50.80 0 . 1 . . . . . 83 ASN CA . 52200 2 320 . 1 . 1 83 83 ASN CB C 13 45.87 0 . 1 . . . . . 83 ASN CB . 52200 2 321 . 1 . 1 83 83 ASN N N 15 116.38 0 . 1 . . . . . 83 ASN N . 52200 2 322 . 1 . 1 84 84 SER H H 1 8.92 0 . 1 . . . . . 84 SER H . 52200 2 323 . 1 . 1 84 84 SER CA C 13 56.06 0 . 1 . . . . . 84 SER CA . 52200 2 324 . 1 . 1 84 84 SER CB C 13 66.66 0 . 1 . . . . . 84 SER CB . 52200 2 325 . 1 . 1 84 84 SER N N 15 114.84 0 . 1 . . . . . 84 SER N . 52200 2 326 . 1 . 1 85 85 LEU H H 1 8.3248 0 . 1 . . . . . 85 LEU H . 52200 2 327 . 1 . 1 85 85 LEU CA C 13 54.04 0 . 1 . . . . . 85 LEU CA . 52200 2 328 . 1 . 1 85 85 LEU CB C 13 47.08 0 . 1 . . . . . 85 LEU CB . 52200 2 329 . 1 . 1 85 85 LEU N N 15 124.16 0 . 1 . . . . . 85 LEU N . 52200 2 330 . 1 . 1 86 86 VAL H H 1 9.347 0 . 1 . . . . . 86 VAL H . 52200 2 331 . 1 . 1 86 86 VAL CA C 13 59.11 0 . 1 . . . . . 86 VAL CA . 52200 2 332 . 1 . 1 86 86 VAL CB C 13 36.04 0 . 1 . . . . . 86 VAL CB . 52200 2 333 . 1 . 1 86 86 VAL N N 15 119.31 0 . 1 . . . . . 86 VAL N . 52200 2 334 . 1 . 1 87 87 VAL H H 1 8.8351 0 . 1 . . . . . 87 VAL H . 52200 2 335 . 1 . 1 87 87 VAL CA C 13 59.60 0 . 1 . . . . . 87 VAL CA . 52200 2 336 . 1 . 1 87 87 VAL CB C 13 33.16 0 . 1 . . . . . 87 VAL CB . 52200 2 337 . 1 . 1 87 87 VAL N N 15 119.00 0 . 1 . . . . . 87 VAL N . 52200 2 338 . 1 . 1 88 88 VAL H H 1 9.2418 0 . 1 . . . . . 88 VAL H . 52200 2 339 . 1 . 1 88 88 VAL CA C 13 57.24 0 . 1 . . . . . 88 VAL CA . 52200 2 340 . 1 . 1 88 88 VAL CB C 13 35.99 0 . 1 . . . . . 88 VAL CB . 52200 2 341 . 1 . 1 88 88 VAL N N 15 118.09 0 . 1 . . . . . 88 VAL N . 52200 2 342 . 1 . 1 89 89 ALA H H 1 8.7673 0 . 1 . . . . . 89 ALA H . 52200 2 343 . 1 . 1 89 89 ALA CA C 13 48.68 0 . 1 . . . . . 89 ALA CA . 52200 2 344 . 1 . 1 89 89 ALA CB C 13 21.91 0 . 1 . . . . . 89 ALA CB . 52200 2 345 . 1 . 1 89 89 ALA N N 15 122.28 0 . 1 . . . . . 89 ALA N . 52200 2 346 . 1 . 1 90 90 PRO CA C 13 62.91 0 . 1 . . . . . 90 PRO CA . 52200 2 347 . 1 . 1 90 90 PRO CB C 13 32.20 0 . 1 . . . . . 90 PRO CB . 52200 2 348 . 1 . 1 91 91 LYS H H 1 7.7973 0 . 1 . . . . . 91 LYS H . 52200 2 349 . 1 . 1 91 91 LYS CA C 13 60.01 0 . 1 . . . . . 91 LYS CA . 52200 2 350 . 1 . 1 91 91 LYS CB C 13 32.43 0 . 1 . . . . . 91 LYS CB . 52200 2 351 . 1 . 1 91 91 LYS N N 15 124.43 0 . 1 . . . . . 91 LYS N . 52200 2 352 . 1 . 1 92 92 ALA H H 1 8.4561 0 . 1 . . . . . 92 ALA H . 52200 2 353 . 1 . 1 92 92 ALA CA C 13 51.81 0 . 1 . . . . . 92 ALA CA . 52200 2 354 . 1 . 1 92 92 ALA CB C 13 18.69 0 . 1 . . . . . 92 ALA CB . 52200 2 355 . 1 . 1 92 92 ALA N N 15 117.95 0 . 1 . . . . . 92 ALA N . 52200 2 356 . 1 . 1 93 93 SER H H 1 7.6761 0 . 1 . . . . . 93 SER H . 52200 2 357 . 1 . 1 93 93 SER CA C 13 57.52 0 . 1 . . . . . 93 SER CA . 52200 2 358 . 1 . 1 93 93 SER CB C 13 64.42 0 . 1 . . . . . 93 SER CB . 52200 2 359 . 1 . 1 93 93 SER N N 15 113.82 0 . 1 . . . . . 93 SER N . 52200 2 360 . 1 . 1 94 94 VAL H H 1 8.4536 0 . 1 . . . . . 94 VAL H . 52200 2 361 . 1 . 1 94 94 VAL CA C 13 61.62 0 . 1 . . . . . 94 VAL CA . 52200 2 362 . 1 . 1 94 94 VAL CB C 13 31.08 0 . 1 . . . . . 94 VAL CB . 52200 2 363 . 1 . 1 94 94 VAL N N 15 121.06 0 . 1 . . . . . 94 VAL N . 52200 2 364 . 1 . 1 95 95 GLN H H 1 8.0107 0 . 1 . . . . . 95 GLN H . 52200 2 365 . 1 . 1 95 95 GLN CA C 13 56.00 0 . 1 . . . . . 95 GLN CA . 52200 2 366 . 1 . 1 95 95 GLN CB C 13 29.83 0 . 1 . . . . . 95 GLN CB . 52200 2 367 . 1 . 1 95 95 GLN N N 15 123.75 0 . 1 . . . . . 95 GLN N . 52200 2 368 . 1 . 1 96 96 LYS H H 1 8.2622 0 . 1 . . . . . 96 LYS H . 52200 2 369 . 1 . 1 96 96 LYS CA C 13 55.16 0 . 1 . . . . . 96 LYS CA . 52200 2 370 . 1 . 1 96 96 LYS CB C 13 34.37 0 . 1 . . . . . 96 LYS CB . 52200 2 371 . 1 . 1 96 96 LYS N N 15 128.86 0 . 1 . . . . . 96 LYS N . 52200 2 372 . 1 . 1 97 97 ASP H H 1 8.2423 0 . 1 . . . . . 97 ASP H . 52200 2 373 . 1 . 1 97 97 ASP CA C 13 54.14 0 . 1 . . . . . 97 ASP CA . 52200 2 374 . 1 . 1 97 97 ASP CB C 13 39.82 0 . 1 . . . . . 97 ASP CB . 52200 2 375 . 1 . 1 97 97 ASP N N 15 119.69 0 . 1 . . . . . 97 ASP N . 52200 2 376 . 1 . 1 98 98 PHE H H 1 8.4984 0 . 1 . . . . . 98 PHE H . 52200 2 377 . 1 . 1 98 98 PHE CA C 13 55.18 0 . 1 . . . . . 98 PHE CA . 52200 2 378 . 1 . 1 98 98 PHE CB C 13 41.38 0 . 1 . . . . . 98 PHE CB . 52200 2 379 . 1 . 1 98 98 PHE N N 15 117.87 0 . 1 . . . . . 98 PHE N . 52200 2 380 . 1 . 1 99 99 THR H H 1 8.3296 0 . 1 . . . . . 99 THR H . 52200 2 381 . 1 . 1 99 99 THR CA C 13 61.33 0 . 1 . . . . . 99 THR CA . 52200 2 382 . 1 . 1 99 99 THR CB C 13 70.52 0 . 1 . . . . . 99 THR CB . 52200 2 383 . 1 . 1 99 99 THR N N 15 115.26 0 . 1 . . . . . 99 THR N . 52200 2 384 . 1 . 1 100 100 ILE H H 1 8.7729 0 . 1 . . . . . 100 ILE H . 52200 2 385 . 1 . 1 100 100 ILE CA C 13 61.09 0 . 1 . . . . . 100 ILE CA . 52200 2 386 . 1 . 1 100 100 ILE CB C 13 38.70 0 . 1 . . . . . 100 ILE CB . 52200 2 387 . 1 . 1 100 100 ILE N N 15 127.89 0 . 1 . . . . . 100 ILE N . 52200 2 388 . 1 . 1 101 101 ASP H H 1 9.1197 0 . 1 . . . . . 101 ASP H . 52200 2 389 . 1 . 1 101 101 ASP CA C 13 53.29 0 . 1 . . . . . 101 ASP CA . 52200 2 390 . 1 . 1 101 101 ASP CB C 13 41.40 0 . 1 . . . . . 101 ASP CB . 52200 2 391 . 1 . 1 101 101 ASP N N 15 128.27 0 . 1 . . . . . 101 ASP N . 52200 2 392 . 1 . 1 102 102 SER H H 1 8.7191 0 . 1 . . . . . 102 SER H . 52200 2 393 . 1 . 1 102 102 SER CA C 13 60.91 0 . 1 . . . . . 102 SER CA . 52200 2 394 . 1 . 1 102 102 SER CB C 13 63.33 0 . 1 . . . . . 102 SER CB . 52200 2 395 . 1 . 1 102 102 SER N N 15 114.06 0 . 1 . . . . . 102 SER N . 52200 2 396 . 1 . 1 103 103 LYS H H 1 8.6579 0 . 1 . . . . . 103 LYS H . 52200 2 397 . 1 . 1 103 103 LYS CA C 13 55.21 0 . 1 . . . . . 103 LYS CA . 52200 2 398 . 1 . 1 103 103 LYS CB C 13 32.78 0 . 1 . . . . . 103 LYS CB . 52200 2 399 . 1 . 1 103 103 LYS N N 15 121.79 0 . 1 . . . . . 103 LYS N . 52200 2 400 . 1 . 1 104 104 THR H H 1 7.6391 0 . 1 . . . . . 104 THR H . 52200 2 401 . 1 . 1 104 104 THR CA C 13 65.51 0 . 1 . . . . . 104 THR CA . 52200 2 402 . 1 . 1 104 104 THR CB C 13 70.05 0 . 1 . . . . . 104 THR CB . 52200 2 403 . 1 . 1 104 104 THR N N 15 121.66 0 . 1 . . . . . 104 THR N . 52200 2 404 . 1 . 1 105 105 ASN H H 1 8.819 0 . 1 . . . . . 105 ASN H . 52200 2 405 . 1 . 1 105 105 ASN CA C 13 50.59 0 . 1 . . . . . 105 ASN CA . 52200 2 406 . 1 . 1 105 105 ASN CB C 13 36.32 0 . 1 . . . . . 105 ASN CB . 52200 2 407 . 1 . 1 105 105 ASN N N 15 127.67 0 . 1 . . . . . 105 ASN N . 52200 2 408 . 1 . 1 106 106 TRP H H 1 7.8584 0 . 1 . . . . . 106 TRP H . 52200 2 409 . 1 . 1 106 106 TRP CA C 13 60.59 0 . 1 . . . . . 106 TRP CA . 52200 2 410 . 1 . 1 106 106 TRP CB C 13 30.38 0 . 1 . . . . . 106 TRP CB . 52200 2 411 . 1 . 1 106 106 TRP N N 15 124.14 0 . 1 . . . . . 106 TRP N . 52200 2 412 . 1 . 1 107 107 THR H H 1 8.4644 0 . 1 . . . . . 107 THR H . 52200 2 413 . 1 . 1 107 107 THR CA C 13 66.59 0 . 1 . . . . . 107 THR CA . 52200 2 414 . 1 . 1 107 107 THR CB C 13 67.58 0 . 1 . . . . . 107 THR CB . 52200 2 415 . 1 . 1 107 107 THR N N 15 113.31 0 . 1 . . . . . 107 THR N . 52200 2 416 . 1 . 1 108 108 SER H H 1 7.4891 0 . 1 . . . . . 108 SER H . 52200 2 417 . 1 . 1 108 108 SER CA C 13 60.55 0 . 1 . . . . . 108 SER CA . 52200 2 418 . 1 . 1 108 108 SER CB C 13 63.05 0 . 1 . . . . . 108 SER CB . 52200 2 419 . 1 . 1 108 108 SER N N 15 118.38 0 . 1 . . . . . 108 SER N . 52200 2 420 . 1 . 1 109 109 LEU H H 1 7.4131 0 . 1 . . . . . 109 LEU H . 52200 2 421 . 1 . 1 109 109 LEU CA C 13 56.99 0 . 1 . . . . . 109 LEU CA . 52200 2 422 . 1 . 1 109 109 LEU CB C 13 42.18 0 . 1 . . . . . 109 LEU CB . 52200 2 423 . 1 . 1 109 109 LEU N N 15 121.38 0 . 1 . . . . . 109 LEU N . 52200 2 424 . 1 . 1 110 110 LEU H H 1 7.7387 0 . 1 . . . . . 110 LEU H . 52200 2 425 . 1 . 1 110 110 LEU CA C 13 56.14 0 . 1 . . . . . 110 LEU CA . 52200 2 426 . 1 . 1 110 110 LEU CB C 13 42.09 0 . 1 . . . . . 110 LEU CB . 52200 2 427 . 1 . 1 110 110 LEU N N 15 116.14 0 . 1 . . . . . 110 LEU N . 52200 2 428 . 1 . 1 111 111 ASN H H 1 7.7157 0 . 1 . . . . . 111 ASN H . 52200 2 429 . 1 . 1 111 111 ASN CA C 13 53.86 0 . 1 . . . . . 111 ASN CA . 52200 2 430 . 1 . 1 111 111 ASN CB C 13 38.10 0 . 1 . . . . . 111 ASN CB . 52200 2 431 . 1 . 1 111 111 ASN N N 15 117.35 0 . 1 . . . . . 111 ASN N . 52200 2 432 . 1 . 1 112 112 GLY H H 1 8.9222 0 . 1 . . . . . 112 GLY H . 52200 2 433 . 1 . 1 112 112 GLY CA C 13 45.24 0 . 1 . . . . . 112 GLY CA . 52200 2 434 . 1 . 1 112 112 GLY N N 15 106.55 0 . 1 . . . . . 112 GLY N . 52200 2 435 . 1 . 1 113 113 GLY H H 1 7.9749 0 . 1 . . . . . 113 GLY H . 52200 2 436 . 1 . 1 113 113 GLY CA C 13 43.52 0 . 1 . . . . . 113 GLY CA . 52200 2 437 . 1 . 1 113 113 GLY N N 15 109.44 0 . 1 . . . . . 113 GLY N . 52200 2 438 . 1 . 1 114 114 ARG H H 1 7.9847 0 . 1 . . . . . 114 ARG H . 52200 2 439 . 1 . 1 114 114 ARG CA C 13 54.73 0 . 1 . . . . . 114 ARG CA . 52200 2 440 . 1 . 1 114 114 ARG CB C 13 34.58 0 . 1 . . . . . 114 ARG CB . 52200 2 441 . 1 . 1 114 114 ARG N N 15 117.46 0 . 1 . . . . . 114 ARG N . 52200 2 442 . 1 . 1 115 115 LEU H H 1 8.0395 0 . 1 . . . . . 115 LEU H . 52200 2 443 . 1 . 1 115 115 LEU CA C 13 52.40 0 . 1 . . . . . 115 LEU CA . 52200 2 444 . 1 . 1 115 115 LEU CB C 13 44.62 0 . 1 . . . . . 115 LEU CB . 52200 2 445 . 1 . 1 115 115 LEU N N 15 119.09 0 . 1 . . . . . 115 LEU N . 52200 2 446 . 1 . 1 116 116 ALA H H 1 8.7861 0 . 1 . . . . . 116 ALA H . 52200 2 447 . 1 . 1 116 116 ALA CA C 13 52.17 0 . 1 . . . . . 116 ALA CA . 52200 2 448 . 1 . 1 116 116 ALA CB C 13 20.90 0 . 1 . . . . . 116 ALA CB . 52200 2 449 . 1 . 1 116 116 ALA N N 15 132.86 0 . 1 . . . . . 116 ALA N . 52200 2 450 . 1 . 1 117 117 VAL H H 1 7.9362 0 . 1 . . . . . 117 VAL H . 52200 2 451 . 1 . 1 117 117 VAL CA C 13 58.40 0 . 1 . . . . . 117 VAL CA . 52200 2 452 . 1 . 1 117 117 VAL CB C 13 37.29 0 . 1 . . . . . 117 VAL CB . 52200 2 453 . 1 . 1 117 117 VAL N N 15 115.53 0 . 1 . . . . . 117 VAL N . 52200 2 454 . 1 . 1 118 118 GLY H H 1 8.9934 0 . 1 . . . . . 118 GLY H . 52200 2 455 . 1 . 1 118 118 GLY CA C 13 45.06 0 . 1 . . . . . 118 GLY CA . 52200 2 456 . 1 . 1 118 118 GLY N N 15 108.75 0 . 1 . . . . . 118 GLY N . 52200 2 457 . 1 . 1 119 119 ASP H H 1 8.5431 0 . 1 . . . . . 119 ASP H . 52200 2 458 . 1 . 1 119 119 ASP CA C 13 52.55 0 . 1 . . . . . 119 ASP CA . 52200 2 459 . 1 . 1 119 119 ASP CB C 13 42.02 0 . 1 . . . . . 119 ASP CB . 52200 2 460 . 1 . 1 119 119 ASP N N 15 122.80 0 . 1 . . . . . 119 ASP N . 52200 2 461 . 1 . 1 120 120 PRO CA C 13 64.38 0 . 1 . . . . . 120 PRO CA . 52200 2 462 . 1 . 1 120 120 PRO CB C 13 32.71 0 . 1 . . . . . 120 PRO CB . 52200 2 463 . 1 . 1 121 121 GLU H H 1 8.045 0 . 1 . . . . . 121 GLU H . 52200 2 464 . 1 . 1 121 121 GLU CA C 13 56.18 0 . 1 . . . . . 121 GLU CA . 52200 2 465 . 1 . 1 121 121 GLU CB C 13 30.16 0 . 1 . . . . . 121 GLU CB . 52200 2 466 . 1 . 1 121 121 GLU N N 15 114.09 0 . 1 . . . . . 121 GLU N . 52200 2 467 . 1 . 1 122 122 HIS H H 1 7.5497 0 . 1 . . . . . 122 HIS H . 52200 2 468 . 1 . 1 122 122 HIS CA C 13 58.13 0 . 1 . . . . . 122 HIS CA . 52200 2 469 . 1 . 1 122 122 HIS CB C 13 33.28 0 . 1 . . . . . 122 HIS CB . 52200 2 470 . 1 . 1 122 122 HIS N N 15 111.25 0 . 1 . . . . . 122 HIS N . 52200 2 471 . 1 . 1 123 123 VAL H H 1 8.5926 0 . 1 . . . . . 123 VAL H . 52200 2 472 . 1 . 1 123 123 VAL CA C 13 60.07 0 . 1 . . . . . 123 VAL CA . 52200 2 473 . 1 . 1 123 123 VAL CB C 13 33.45 0 . 1 . . . . . 123 VAL CB . 52200 2 474 . 1 . 1 123 123 VAL N N 15 124.21 0 . 1 . . . . . 123 VAL N . 52200 2 475 . 1 . 1 124 124 PRO CA C 13 66.40 0 . 1 . . . . . 124 PRO CA . 52200 2 476 . 1 . 1 125 125 ALA H H 1 8.5242 0 . 1 . . . . . 125 ALA H . 52200 2 477 . 1 . 1 125 125 ALA CA C 13 56.47 0 . 1 . . . . . 125 ALA CA . 52200 2 478 . 1 . 1 125 125 ALA CB C 13 20.35 0 . 1 . . . . . 125 ALA CB . 52200 2 479 . 1 . 1 125 125 ALA N N 15 120.50 0 . 1 . . . . . 125 ALA N . 52200 2 480 . 1 . 1 126 126 GLY H H 1 7.6076 0 . 1 . . . . . 126 GLY H . 52200 2 481 . 1 . 1 126 126 GLY CA C 13 47.40 0 . 1 . . . . . 126 GLY CA . 52200 2 482 . 1 . 1 126 126 GLY N N 15 104.98 0 . 1 . . . . . 126 GLY N . 52200 2 483 . 1 . 1 127 127 ILE H H 1 8.172 0 . 1 . . . . . 127 ILE H . 52200 2 484 . 1 . 1 127 127 ILE CA C 13 65.56 0 . 1 . . . . . 127 ILE CA . 52200 2 485 . 1 . 1 127 127 ILE CB C 13 37.57 0 . 1 . . . . . 127 ILE CB . 52200 2 486 . 1 . 1 127 127 ILE N N 15 126.67 0 . 1 . . . . . 127 ILE N . 52200 2 487 . 1 . 1 128 128 TYR H H 1 8.8542 0 . 1 . . . . . 128 TYR H . 52200 2 488 . 1 . 1 128 128 TYR CA C 13 60.31 0 . 1 . . . . . 128 TYR CA . 52200 2 489 . 1 . 1 128 128 TYR CB C 13 39.78 0 . 1 . . . . . 128 TYR CB . 52200 2 490 . 1 . 1 128 128 TYR N N 15 118.34 0 . 1 . . . . . 128 TYR N . 52200 2 491 . 1 . 1 129 129 ALA H H 1 7.0732 0 . 1 . . . . . 129 ALA H . 52200 2 492 . 1 . 1 129 129 ALA CA C 13 55.05 0 . 1 . . . . . 129 ALA CA . 52200 2 493 . 1 . 1 129 129 ALA CB C 13 18.64 0 . 1 . . . . . 129 ALA CB . 52200 2 494 . 1 . 1 129 129 ALA N N 15 118.77 0 . 1 . . . . . 129 ALA N . 52200 2 495 . 1 . 1 130 130 LYS H H 1 8.604 0 . 1 . . . . . 130 LYS H . 52200 2 496 . 1 . 1 130 130 LYS CA C 13 59.42 0 . 1 . . . . . 130 LYS CA . 52200 2 497 . 1 . 1 130 130 LYS CB C 13 32.29 0 . 1 . . . . . 130 LYS CB . 52200 2 498 . 1 . 1 130 130 LYS N N 15 119.99 0 . 1 . . . . . 130 LYS N . 52200 2 499 . 1 . 1 131 131 GLU H H 1 7.7867 0 . 1 . . . . . 131 GLU H . 52200 2 500 . 1 . 1 131 131 GLU CA C 13 58.95 0 . 1 . . . . . 131 GLU CA . 52200 2 501 . 1 . 1 131 131 GLU CB C 13 28.99 0 . 1 . . . . . 131 GLU CB . 52200 2 502 . 1 . 1 131 131 GLU N N 15 118.12 0 . 1 . . . . . 131 GLU N . 52200 2 503 . 1 . 1 132 132 ALA H H 1 7.6776 0 . 1 . . . . . 132 ALA H . 52200 2 504 . 1 . 1 132 132 ALA CA C 13 54.23 0 . 1 . . . . . 132 ALA CA . 52200 2 505 . 1 . 1 132 132 ALA CB C 13 19.71 0 . 1 . . . . . 132 ALA CB . 52200 2 506 . 1 . 1 132 132 ALA N N 15 122.25 0 . 1 . . . . . 132 ALA N . 52200 2 507 . 1 . 1 133 133 LEU H H 1 8.8664 0 . 1 . . . . . 133 LEU H . 52200 2 508 . 1 . 1 133 133 LEU CA C 13 57.62 0 . 1 . . . . . 133 LEU CA . 52200 2 509 . 1 . 1 133 133 LEU CB C 13 42.17 0 . 1 . . . . . 133 LEU CB . 52200 2 510 . 1 . 1 133 133 LEU N N 15 116.77 0 . 1 . . . . . 133 LEU N . 52200 2 511 . 1 . 1 134 134 GLN H H 1 8.9902 0 . 1 . . . . . 134 GLN H . 52200 2 512 . 1 . 1 134 134 GLN CA C 13 59.51 0 . 1 . . . . . 134 GLN CA . 52200 2 513 . 1 . 1 134 134 GLN CB C 13 28.94 0 . 1 . . . . . 134 GLN CB . 52200 2 514 . 1 . 1 134 134 GLN N N 15 121.12 0 . 1 . . . . . 134 GLN N . 52200 2 515 . 1 . 1 135 135 LYS H H 1 8.324 0 . 1 . . . . . 135 LYS H . 52200 2 516 . 1 . 1 135 135 LYS CA C 13 59.63 0 . 1 . . . . . 135 LYS CA . 52200 2 517 . 1 . 1 135 135 LYS CB C 13 32.17 0 . 1 . . . . . 135 LYS CB . 52200 2 518 . 1 . 1 135 135 LYS N N 15 124.52 0 . 1 . . . . . 135 LYS N . 52200 2 519 . 1 . 1 136 136 LEU H H 1 8.1981 0 . 1 . . . . . 136 LEU H . 52200 2 520 . 1 . 1 136 136 LEU CA C 13 55.39 0 . 1 . . . . . 136 LEU CA . 52200 2 521 . 1 . 1 136 136 LEU CB C 13 43.01 0 . 1 . . . . . 136 LEU CB . 52200 2 522 . 1 . 1 136 136 LEU N N 15 117.18 0 . 1 . . . . . 136 LEU N . 52200 2 523 . 1 . 1 137 137 GLY H H 1 7.7558 0 . 1 . . . . . 137 GLY H . 52200 2 524 . 1 . 1 137 137 GLY CA C 13 46.02 0 . 1 . . . . . 137 GLY CA . 52200 2 525 . 1 . 1 137 137 GLY N N 15 107.37 0 . 1 . . . . . 137 GLY N . 52200 2 526 . 1 . 1 138 138 ALA H H 1 8.3185 0 . 1 . . . . . 138 ALA H . 52200 2 527 . 1 . 1 138 138 ALA CA C 13 51.76 0 . 1 . . . . . 138 ALA CA . 52200 2 528 . 1 . 1 138 138 ALA CB C 13 22.40 0 . 1 . . . . . 138 ALA CB . 52200 2 529 . 1 . 1 138 138 ALA N N 15 121.74 0 . 1 . . . . . 138 ALA N . 52200 2 530 . 1 . 1 139 139 TRP H H 1 7.4903 0 . 1 . . . . . 139 TRP H . 52200 2 531 . 1 . 1 139 139 TRP CA C 13 60.08 0 . 1 . . . . . 139 TRP CA . 52200 2 532 . 1 . 1 139 139 TRP CB C 13 30.86 0 . 1 . . . . . 139 TRP CB . 52200 2 533 . 1 . 1 139 139 TRP N N 15 121.06 0 . 1 . . . . . 139 TRP N . 52200 2 534 . 1 . 1 140 140 ASP H H 1 8.7241 0 . 1 . . . . . 140 ASP H . 52200 2 535 . 1 . 1 140 140 ASP CA C 13 57.42 0 . 1 . . . . . 140 ASP CA . 52200 2 536 . 1 . 1 140 140 ASP CB C 13 39.62 0 . 1 . . . . . 140 ASP CB . 52200 2 537 . 1 . 1 140 140 ASP N N 15 118.09 0 . 1 . . . . . 140 ASP N . 52200 2 538 . 1 . 1 141 141 THR H H 1 7.606 0 . 1 . . . . . 141 THR H . 52200 2 539 . 1 . 1 141 141 THR CA C 13 64.48 0 . 1 . . . . . 141 THR CA . 52200 2 540 . 1 . 1 141 141 THR CB C 13 69.27 0 . 1 . . . . . 141 THR CB . 52200 2 541 . 1 . 1 141 141 THR N N 15 113.50 0 . 1 . . . . . 141 THR N . 52200 2 542 . 1 . 1 142 142 LEU H H 1 7.396 0 . 1 . . . . . 142 LEU H . 52200 2 543 . 1 . 1 142 142 LEU CA C 13 55.18 0 . 1 . . . . . 142 LEU CA . 52200 2 544 . 1 . 1 142 142 LEU CB C 13 43.94 0 . 1 . . . . . 142 LEU CB . 52200 2 545 . 1 . 1 142 142 LEU N N 15 120.30 0 . 1 . . . . . 142 LEU N . 52200 2 546 . 1 . 1 143 143 SER H H 1 8.0599 0 . 1 . . . . . 143 SER H . 52200 2 547 . 1 . 1 143 143 SER CA C 13 62.96 0 . 1 . . . . . 143 SER CA . 52200 2 548 . 1 . 1 143 143 SER CB C 13 61.22 0 . 1 . . . . . 143 SER CB . 52200 2 549 . 1 . 1 143 143 SER N N 15 117.21 0 . 1 . . . . . 143 SER N . 52200 2 550 . 1 . 1 144 144 PRO CA C 13 64.25 0 . 1 . . . . . 144 PRO CA . 52200 2 551 . 1 . 1 144 144 PRO CB C 13 31.90 0 . 1 . . . . . 144 PRO CB . 52200 2 552 . 1 . 1 145 145 LYS H H 1 8.1564 0 . 1 . . . . . 145 LYS H . 52200 2 553 . 1 . 1 145 145 LYS CA C 13 54.16 0 . 1 . . . . . 145 LYS CA . 52200 2 554 . 1 . 1 145 145 LYS CB C 13 33.05 0 . 1 . . . . . 145 LYS CB . 52200 2 555 . 1 . 1 145 145 LYS N N 15 118.64 0 . 1 . . . . . 145 LYS N . 52200 2 556 . 1 . 1 146 146 LEU H H 1 7.1478 0 . 1 . . . . . 146 LEU H . 52200 2 557 . 1 . 1 146 146 LEU CA C 13 54.55 0 . 1 . . . . . 146 LEU CA . 52200 2 558 . 1 . 1 146 146 LEU CB C 13 43.18 0 . 1 . . . . . 146 LEU CB . 52200 2 559 . 1 . 1 146 146 LEU N N 15 117.40 0 . 1 . . . . . 146 LEU N . 52200 2 560 . 1 . 1 147 147 ALA H H 1 8.6289 0 . 1 . . . . . 147 ALA H . 52200 2 561 . 1 . 1 147 147 ALA CA C 13 48.48 0 . 1 . . . . . 147 ALA CA . 52200 2 562 . 1 . 1 147 147 ALA CB C 13 19.30 0 . 1 . . . . . 147 ALA CB . 52200 2 563 . 1 . 1 147 147 ALA N N 15 126.57 0 . 1 . . . . . 147 ALA N . 52200 2 564 . 1 . 1 148 148 PRO CA C 13 61.57 0 . 1 . . . . . 148 PRO CA . 52200 2 565 . 1 . 1 148 148 PRO CB C 13 33.09 0 . 1 . . . . . 148 PRO CB . 52200 2 566 . 1 . 1 149 149 ALA H H 1 8.546 0 . 1 . . . . . 149 ALA H . 52200 2 567 . 1 . 1 149 149 ALA CA C 13 49.84 0 . 1 . . . . . 149 ALA CA . 52200 2 568 . 1 . 1 149 149 ALA CB C 13 23.06 0 . 1 . . . . . 149 ALA CB . 52200 2 569 . 1 . 1 149 149 ALA N N 15 124.06 0 . 1 . . . . . 149 ALA N . 52200 2 570 . 1 . 1 150 150 GLU H H 1 8.9256 0 . 1 . . . . . 150 GLU H . 52200 2 571 . 1 . 1 150 150 GLU CA C 13 58.02 0 . 1 . . . . . 150 GLU CA . 52200 2 572 . 1 . 1 150 150 GLU CB C 13 29.60 0 . 1 . . . . . 150 GLU CB . 52200 2 573 . 1 . 1 150 150 GLU N N 15 118.32 0 . 1 . . . . . 150 GLU N . 52200 2 574 . 1 . 1 151 151 ASP H H 1 7.7571 0 . 1 . . . . . 151 ASP H . 52200 2 575 . 1 . 1 151 151 ASP CA C 13 53.88 0 . 1 . . . . . 151 ASP CA . 52200 2 576 . 1 . 1 151 151 ASP CB C 13 42.04 0 . 1 . . . . . 151 ASP CB . 52200 2 577 . 1 . 1 151 151 ASP N N 15 110.70 0 . 1 . . . . . 151 ASP N . 52200 2 578 . 1 . 1 152 152 VAL H H 1 9.7884 0 . 1 . . . . . 152 VAL H . 52200 2 579 . 1 . 1 152 152 VAL CA C 13 66.00 0 . 1 . . . . . 152 VAL CA . 52200 2 580 . 1 . 1 152 152 VAL CB C 13 32.00 0 . 1 . . . . . 152 VAL CB . 52200 2 581 . 1 . 1 152 152 VAL N N 15 121.60 0 . 1 . . . . . 152 VAL N . 52200 2 582 . 1 . 1 153 153 ARG H H 1 7.8669 0 . 1 . . . . . 153 ARG H . 52200 2 583 . 1 . 1 153 153 ARG CA C 13 55.32 0 . 1 . . . . . 153 ARG CA . 52200 2 584 . 1 . 1 153 153 ARG CB C 13 28.04 0 . 1 . . . . . 153 ARG CB . 52200 2 585 . 1 . 1 153 153 ARG N N 15 121.11 0 . 1 . . . . . 153 ARG N . 52200 2 586 . 1 . 1 154 154 GLY H H 1 8.5227 0 . 1 . . . . . 154 GLY H . 52200 2 587 . 1 . 1 154 154 GLY CA C 13 46.77 0 . 1 . . . . . 154 GLY CA . 52200 2 588 . 1 . 1 154 154 GLY N N 15 114.32 0 . 1 . . . . . 154 GLY N . 52200 2 589 . 1 . 1 155 155 ALA H H 1 7.2154 0 . 1 . . . . . 155 ALA H . 52200 2 590 . 1 . 1 155 155 ALA CA C 13 54.95 0 . 1 . . . . . 155 ALA CA . 52200 2 591 . 1 . 1 155 155 ALA CB C 13 16.58 0 . 1 . . . . . 155 ALA CB . 52200 2 592 . 1 . 1 155 155 ALA N N 15 127.07 0 . 1 . . . . . 155 ALA N . 52200 2 593 . 1 . 1 156 156 LEU H H 1 7.8592 0 . 1 . . . . . 156 LEU H . 52200 2 594 . 1 . 1 156 156 LEU CA C 13 57.73 0 . 1 . . . . . 156 LEU CA . 52200 2 595 . 1 . 1 156 156 LEU CB C 13 43.01 0 . 1 . . . . . 156 LEU CB . 52200 2 596 . 1 . 1 156 156 LEU N N 15 117.65 0 . 1 . . . . . 156 LEU N . 52200 2 597 . 1 . 1 157 157 ALA H H 1 7.9185 0 . 1 . . . . . 157 ALA H . 52200 2 598 . 1 . 1 157 157 ALA CA C 13 54.57 0 . 1 . . . . . 157 ALA CA . 52200 2 599 . 1 . 1 157 157 ALA CB C 13 18.33 0 . 1 . . . . . 157 ALA CB . 52200 2 600 . 1 . 1 157 157 ALA N N 15 120.42 0 . 1 . . . . . 157 ALA N . 52200 2 601 . 1 . 1 158 158 LEU H H 1 7.1833 0 . 1 . . . . . 158 LEU H . 52200 2 602 . 1 . 1 158 158 LEU CA C 13 58.12 0 . 1 . . . . . 158 LEU CA . 52200 2 603 . 1 . 1 158 158 LEU CB C 13 42.69 0 . 1 . . . . . 158 LEU CB . 52200 2 604 . 1 . 1 158 158 LEU N N 15 116.60 0 . 1 . . . . . 158 LEU N . 52200 2 605 . 1 . 1 159 159 VAL H H 1 7.1168 0 . 1 . . . . . 159 VAL H . 52200 2 606 . 1 . 1 159 159 VAL CA C 13 64.66 0 . 1 . . . . . 159 VAL CA . 52200 2 607 . 1 . 1 159 159 VAL CB C 13 31.74 0 . 1 . . . . . 159 VAL CB . 52200 2 608 . 1 . 1 159 159 VAL N N 15 119.24 0 . 1 . . . . . 159 VAL N . 52200 2 609 . 1 . 1 160 160 GLU H H 1 8.6733 0 . 1 . . . . . 160 GLU H . 52200 2 610 . 1 . 1 160 160 GLU CA C 13 59.75 0 . 1 . . . . . 160 GLU CA . 52200 2 611 . 1 . 1 160 160 GLU CB C 13 30.28 0 . 1 . . . . . 160 GLU CB . 52200 2 612 . 1 . 1 160 160 GLU N N 15 120.80 0 . 1 . . . . . 160 GLU N . 52200 2 613 . 1 . 1 161 161 ARG H H 1 7.9402 0 . 1 . . . . . 161 ARG H . 52200 2 614 . 1 . 1 161 161 ARG CA C 13 56.20 0 . 1 . . . . . 161 ARG CA . 52200 2 615 . 1 . 1 161 161 ARG CB C 13 30.72 0 . 1 . . . . . 161 ARG CB . 52200 2 616 . 1 . 1 161 161 ARG N N 15 114.83 0 . 1 . . . . . 161 ARG N . 52200 2 617 . 1 . 1 162 162 ASN H H 1 8.4679 0 . 1 . . . . . 162 ASN H . 52200 2 618 . 1 . 1 162 162 ASN CA C 13 54.49 0 . 1 . . . . . 162 ASN CA . 52200 2 619 . 1 . 1 162 162 ASN CB C 13 37.86 0 . 1 . . . . . 162 ASN CB . 52200 2 620 . 1 . 1 162 162 ASN N N 15 117.60 0 . 1 . . . . . 162 ASN N . 52200 2 621 . 1 . 1 163 163 GLU H H 1 8.5318 0 . 1 . . . . . 163 GLU H . 52200 2 622 . 1 . 1 163 163 GLU CA C 13 56.72 0 . 1 . . . . . 163 GLU CA . 52200 2 623 . 1 . 1 163 163 GLU CB C 13 30.12 0 . 1 . . . . . 163 GLU CB . 52200 2 624 . 1 . 1 163 163 GLU N N 15 116.67 0 . 1 . . . . . 163 GLU N . 52200 2 625 . 1 . 1 164 164 ALA H H 1 7.3505 0 . 1 . . . . . 164 ALA H . 52200 2 626 . 1 . 1 164 164 ALA CA C 13 49.34 0 . 1 . . . . . 164 ALA CA . 52200 2 627 . 1 . 1 164 164 ALA CB C 13 22.16 0 . 1 . . . . . 164 ALA CB . 52200 2 628 . 1 . 1 164 164 ALA N N 15 124.05 0 . 1 . . . . . 164 ALA N . 52200 2 629 . 1 . 1 165 165 PRO CA C 13 63.54 0 . 1 . . . . . 165 PRO CA . 52200 2 630 . 1 . 1 165 165 PRO CB C 13 32.92 0 . 1 . . . . . 165 PRO CB . 52200 2 631 . 1 . 1 166 166 LEU H H 1 7.1088 0 . 1 . . . . . 166 LEU H . 52200 2 632 . 1 . 1 166 166 LEU CA C 13 52.31 0 . 1 . . . . . 166 LEU CA . 52200 2 633 . 1 . 1 166 166 LEU CB C 13 49.56 0 . 1 . . . . . 166 LEU CB . 52200 2 634 . 1 . 1 166 166 LEU N N 15 114.26 0 . 1 . . . . . 166 LEU N . 52200 2 635 . 1 . 1 167 167 GLY H H 1 8.6463 0 . 1 . . . . . 167 GLY H . 52200 2 636 . 1 . 1 167 167 GLY CA C 13 45.44 0 . 1 . . . . . 167 GLY CA . 52200 2 637 . 1 . 1 167 167 GLY N N 15 107.09 0 . 1 . . . . . 167 GLY N . 52200 2 638 . 1 . 1 168 168 ILE H H 1 8.5487 0 . 1 . . . . . 168 ILE H . 52200 2 639 . 1 . 1 168 168 ILE CA C 13 60.70 0 . 1 . . . . . 168 ILE CA . 52200 2 640 . 1 . 1 168 168 ILE CB C 13 38.48 0 . 1 . . . . . 168 ILE CB . 52200 2 641 . 1 . 1 168 168 ILE N N 15 122.23 0 . 1 . . . . . 168 ILE N . 52200 2 642 . 1 . 1 169 169 VAL H H 1 8.3027 0 . 1 . . . . . 169 VAL H . 52200 2 643 . 1 . 1 169 169 VAL CA C 13 57.31 0 . 1 . . . . . 169 VAL CA . 52200 2 644 . 1 . 1 169 169 VAL CB C 13 34.31 0 . 1 . . . . . 169 VAL CB . 52200 2 645 . 1 . 1 169 169 VAL N N 15 120.34 0 . 1 . . . . . 169 VAL N . 52200 2 646 . 1 . 1 170 170 TYR H H 1 9.3045 0 . 1 . . . . . 170 TYR H . 52200 2 647 . 1 . 1 170 170 TYR CA C 13 57.36 0 . 1 . . . . . 170 TYR CA . 52200 2 648 . 1 . 1 170 170 TYR CB C 13 39.87 0 . 1 . . . . . 170 TYR CB . 52200 2 649 . 1 . 1 170 170 TYR N N 15 118.24 0 . 1 . . . . . 170 TYR N . 52200 2 650 . 1 . 1 171 171 GLY H H 1 8.3718 0 . 1 . . . . . 171 GLY H . 52200 2 651 . 1 . 1 171 171 GLY CA C 13 48.23 0 . 1 . . . . . 171 GLY CA . 52200 2 652 . 1 . 1 171 171 GLY N N 15 110.76 0 . 1 . . . . . 171 GLY N . 52200 2 653 . 1 . 1 172 172 SER H H 1 7.8594 0 . 1 . . . . . 172 SER H . 52200 2 654 . 1 . 1 172 172 SER CA C 13 61.11 0 . 1 . . . . . 172 SER CA . 52200 2 655 . 1 . 1 172 172 SER CB C 13 60.15 0 . 1 . . . . . 172 SER CB . 52200 2 656 . 1 . 1 172 172 SER N N 15 115.82 0 . 1 . . . . . 172 SER N . 52200 2 657 . 1 . 1 173 173 ASP H H 1 7.4956 0 . 1 . . . . . 173 ASP H . 52200 2 658 . 1 . 1 173 173 ASP CA C 13 58.30 0 . 1 . . . . . 173 ASP CA . 52200 2 659 . 1 . 1 173 173 ASP CB C 13 42.50 0 . 1 . . . . . 173 ASP CB . 52200 2 660 . 1 . 1 173 173 ASP N N 15 125.43 0 . 1 . . . . . 173 ASP N . 52200 2 661 . 1 . 1 174 174 ALA H H 1 6.975 0 . 1 . . . . . 174 ALA H . 52200 2 662 . 1 . 1 174 174 ALA CA C 13 53.71 0 . 1 . . . . . 174 ALA CA . 52200 2 663 . 1 . 1 174 174 ALA CB C 13 18.94 0 . 1 . . . . . 174 ALA CB . 52200 2 664 . 1 . 1 174 174 ALA N N 15 118.36 0 . 1 . . . . . 174 ALA N . 52200 2 665 . 1 . 1 175 175 VAL H H 1 7.2704 0 . 1 . . . . . 175 VAL H . 52200 2 666 . 1 . 1 175 175 VAL CA C 13 65.28 0 . 1 . . . . . 175 VAL CA . 52200 2 667 . 1 . 1 175 175 VAL CB C 13 31.47 0 . 1 . . . . . 175 VAL CB . 52200 2 668 . 1 . 1 175 175 VAL N N 15 118.28 0 . 1 . . . . . 175 VAL N . 52200 2 669 . 1 . 1 176 176 ALA H H 1 7.4213 0 . 1 . . . . . 176 ALA H . 52200 2 670 . 1 . 1 176 176 ALA CA C 13 53.34 0 . 1 . . . . . 176 ALA CA . 52200 2 671 . 1 . 1 176 176 ALA N N 15 120.37 0 . 1 . . . . . 176 ALA N . 52200 2 672 . 1 . 1 177 177 SER H H 1 7.3304 0 . 1 . . . . . 177 SER H . 52200 2 673 . 1 . 1 177 177 SER CA C 13 57.25 0 . 1 . . . . . 177 SER CA . 52200 2 674 . 1 . 1 177 177 SER CB C 13 64.64 0 . 1 . . . . . 177 SER CB . 52200 2 675 . 1 . 1 177 177 SER N N 15 112.16 0 . 1 . . . . . 177 SER N . 52200 2 676 . 1 . 1 178 178 LYS H H 1 8.7536 0 . 1 . . . . . 178 LYS H . 52200 2 677 . 1 . 1 178 178 LYS CA C 13 55.81 0 . 1 . . . . . 178 LYS CA . 52200 2 678 . 1 . 1 178 178 LYS CB C 13 32.36 0 . 1 . . . . . 178 LYS CB . 52200 2 679 . 1 . 1 178 178 LYS N N 15 125.16 0 . 1 . . . . . 178 LYS N . 52200 2 680 . 1 . 1 179 179 GLY H H 1 8.7812 0 . 1 . . . . . 179 GLY H . 52200 2 681 . 1 . 1 179 179 GLY CA C 13 45.58 0 . 1 . . . . . 179 GLY CA . 52200 2 682 . 1 . 1 179 179 GLY N N 15 106.40 0 . 1 . . . . . 179 GLY N . 52200 2 683 . 1 . 1 180 180 VAL H H 1 7.4383 0 . 1 . . . . . 180 VAL H . 52200 2 684 . 1 . 1 180 180 VAL CA C 13 58.34 0 . 1 . . . . . 180 VAL CA . 52200 2 685 . 1 . 1 180 180 VAL CB C 13 36.64 0 . 1 . . . . . 180 VAL CB . 52200 2 686 . 1 . 1 180 180 VAL N N 15 112.95 0 . 1 . . . . . 180 VAL N . 52200 2 687 . 1 . 1 181 181 LYS H H 1 9.1836 0 . 1 . . . . . 181 LYS H . 52200 2 688 . 1 . 1 181 181 LYS CA C 13 53.31 0 . 1 . . . . . 181 LYS CA . 52200 2 689 . 1 . 1 181 181 LYS CB C 13 36.28 0 . 1 . . . . . 181 LYS CB . 52200 2 690 . 1 . 1 181 181 LYS N N 15 117.90 0 . 1 . . . . . 181 LYS N . 52200 2 691 . 1 . 1 182 182 VAL H H 1 8.9095 0 . 1 . . . . . 182 VAL H . 52200 2 692 . 1 . 1 182 182 VAL CA C 13 63.55 0 . 1 . . . . . 182 VAL CA . 52200 2 693 . 1 . 1 182 182 VAL CB C 13 32.16 0 . 1 . . . . . 182 VAL CB . 52200 2 694 . 1 . 1 182 182 VAL N N 15 124.26 0 . 1 . . . . . 182 VAL N . 52200 2 695 . 1 . 1 183 183 VAL H H 1 8.6899 0 . 1 . . . . . 183 VAL H . 52200 2 696 . 1 . 1 183 183 VAL CA C 13 60.02 0 . 1 . . . . . 183 VAL CA . 52200 2 697 . 1 . 1 183 183 VAL CB C 13 33.06 0 . 1 . . . . . 183 VAL CB . 52200 2 698 . 1 . 1 183 183 VAL N N 15 120.15 0 . 1 . . . . . 183 VAL N . 52200 2 699 . 1 . 1 184 184 ALA H H 1 7.4882 0 . 1 . . . . . 184 ALA H . 52200 2 700 . 1 . 1 184 184 ALA CA C 13 52.49 0 . 1 . . . . . 184 ALA CA . 52200 2 701 . 1 . 1 184 184 ALA CB C 13 22.41 0 . 1 . . . . . 184 ALA CB . 52200 2 702 . 1 . 1 184 184 ALA N N 15 120.87 0 . 1 . . . . . 184 ALA N . 52200 2 703 . 1 . 1 185 185 THR H H 1 8.3639 0 . 1 . . . . . 185 THR H . 52200 2 704 . 1 . 1 185 185 THR CA C 13 61.49 0 . 1 . . . . . 185 THR CA . 52200 2 705 . 1 . 1 185 185 THR CB C 13 70.84 0 . 1 . . . . . 185 THR CB . 52200 2 706 . 1 . 1 185 185 THR N N 15 115.03 0 . 1 . . . . . 185 THR N . 52200 2 707 . 1 . 1 186 186 PHE H H 1 9.0471 0 . 1 . . . . . 186 PHE H . 52200 2 708 . 1 . 1 186 186 PHE CA C 13 58.07 0 . 1 . . . . . 186 PHE CA . 52200 2 709 . 1 . 1 186 186 PHE CB C 13 38.29 0 . 1 . . . . . 186 PHE CB . 52200 2 710 . 1 . 1 186 186 PHE N N 15 126.06 0 . 1 . . . . . 186 PHE N . 52200 2 711 . 1 . 1 187 187 PRO CA C 13 62.31 0 . 1 . . . . . 187 PRO CA . 52200 2 712 . 1 . 1 188 188 GLU H H 1 9.3885 0 . 1 . . . . . 188 GLU H . 52200 2 713 . 1 . 1 188 188 GLU CA C 13 59.16 0 . 1 . . . . . 188 GLU CA . 52200 2 714 . 1 . 1 188 188 GLU CB C 13 32.61 0 . 1 . . . . . 188 GLU CB . 52200 2 715 . 1 . 1 188 188 GLU N N 15 128.18 0 . 1 . . . . . 188 GLU N . 52200 2 716 . 1 . 1 192 192 LYS CA C 13 56.97 0 . 1 . . . . . 192 LYS CA . 52200 2 717 . 1 . 1 192 192 LYS CB C 13 33.12 0 . 1 . . . . . 192 LYS CB . 52200 2 718 . 1 . 1 193 193 LYS H H 1 8.8988 0 . 1 . . . . . 193 LYS H . 52200 2 719 . 1 . 1 193 193 LYS CA C 13 57.46 0 . 1 . . . . . 193 LYS CA . 52200 2 720 . 1 . 1 193 193 LYS CB C 13 33.08 0 . 1 . . . . . 193 LYS CB . 52200 2 721 . 1 . 1 193 193 LYS N N 15 127.53 0 . 1 . . . . . 193 LYS N . 52200 2 722 . 1 . 1 194 194 VAL H H 1 8.8799 0 . 1 . . . . . 194 VAL H . 52200 2 723 . 1 . 1 194 194 VAL CA C 13 62.56 0 . 1 . . . . . 194 VAL CA . 52200 2 724 . 1 . 1 194 194 VAL CB C 13 29.34 0 . 1 . . . . . 194 VAL CB . 52200 2 725 . 1 . 1 194 194 VAL N N 15 125.56 0 . 1 . . . . . 194 VAL N . 52200 2 726 . 1 . 1 195 195 GLU H H 1 7.1805 0 . 1 . . . . . 195 GLU H . 52200 2 727 . 1 . 1 195 195 GLU CA C 13 54.37 0 . 1 . . . . . 195 GLU CA . 52200 2 728 . 1 . 1 195 195 GLU CB C 13 36.37 0 . 1 . . . . . 195 GLU CB . 52200 2 729 . 1 . 1 195 195 GLU N N 15 128.82 0 . 1 . . . . . 195 GLU N . 52200 2 730 . 1 . 1 197 197 PRO CA C 13 60.77 0 . 1 . . . . . 197 PRO CA . 52200 2 731 . 1 . 1 197 197 PRO CB C 13 32.67 0 . 1 . . . . . 197 PRO CB . 52200 2 732 . 1 . 1 198 198 VAL H H 1 8.924 0 . 1 . . . . . 198 VAL H . 52200 2 733 . 1 . 1 198 198 VAL CA C 13 57.26 0 . 1 . . . . . 198 VAL CA . 52200 2 734 . 1 . 1 198 198 VAL CB C 13 35.31 0 . 1 . . . . . 198 VAL CB . 52200 2 735 . 1 . 1 198 198 VAL N N 15 119.27 0 . 1 . . . . . 198 VAL N . 52200 2 736 . 1 . 1 199 199 ALA H H 1 8.3508 0 . 1 . . . . . 199 ALA H . 52200 2 737 . 1 . 1 199 199 ALA CA C 13 51.74 0 . 1 . . . . . 199 ALA CA . 52200 2 738 . 1 . 1 199 199 ALA CB C 13 25.43 0 . 1 . . . . . 199 ALA CB . 52200 2 739 . 1 . 1 199 199 ALA N N 15 123.28 0 . 1 . . . . . 199 ALA N . 52200 2 740 . 1 . 1 200 200 VAL H H 1 8.8007 0 . 1 . . . . . 200 VAL H . 52200 2 741 . 1 . 1 200 200 VAL CA C 13 61.62 0 . 1 . . . . . 200 VAL CA . 52200 2 742 . 1 . 1 200 200 VAL CB C 13 32.95 0 . 1 . . . . . 200 VAL CB . 52200 2 743 . 1 . 1 200 200 VAL N N 15 121.53 0 . 1 . . . . . 200 VAL N . 52200 2 744 . 1 . 1 201 201 VAL H H 1 7.94 0 . 1 . . . . . 201 VAL H . 52200 2 745 . 1 . 1 201 201 VAL CA C 13 63.44 0 . 1 . . . . . 201 VAL CA . 52200 2 746 . 1 . 1 201 201 VAL CB C 13 32.51 0 . 1 . . . . . 201 VAL CB . 52200 2 747 . 1 . 1 201 201 VAL N N 15 130.35 0 . 1 . . . . . 201 VAL N . 52200 2 748 . 1 . 1 202 202 GLU H H 1 8.3393 0 . 1 . . . . . 202 GLU H . 52200 2 749 . 1 . 1 202 202 GLU CA C 13 57.98 0 . 1 . . . . . 202 GLU CA . 52200 2 750 . 1 . 1 202 202 GLU CB C 13 27.68 0 . 1 . . . . . 202 GLU CB . 52200 2 751 . 1 . 1 202 202 GLU N N 15 128.59 0 . 1 . . . . . 202 GLU N . 52200 2 752 . 1 . 1 203 203 GLY H H 1 9.0155 0 . 1 . . . . . 203 GLY H . 52200 2 753 . 1 . 1 203 203 GLY CA C 13 45.12 0 . 1 . . . . . 203 GLY CA . 52200 2 754 . 1 . 1 203 203 GLY N N 15 116.24 0 . 1 . . . . . 203 GLY N . 52200 2 755 . 1 . 1 204 204 HIS H H 1 8.6039 0 . 1 . . . . . 204 HIS H . 52200 2 756 . 1 . 1 204 204 HIS CA C 13 55.24 0 . 1 . . . . . 204 HIS CA . 52200 2 757 . 1 . 1 204 204 HIS CB C 13 28.31 0 . 1 . . . . . 204 HIS CB . 52200 2 758 . 1 . 1 204 204 HIS N N 15 118.75 0 . 1 . . . . . 204 HIS N . 52200 2 759 . 1 . 1 205 205 ASN H H 1 8.2259 0 . 1 . . . . . 205 ASN H . 52200 2 760 . 1 . 1 205 205 ASN CA C 13 52.81 0 . 1 . . . . . 205 ASN CA . 52200 2 761 . 1 . 1 205 205 ASN CB C 13 37.56 0 . 1 . . . . . 205 ASN CB . 52200 2 762 . 1 . 1 205 205 ASN N N 15 119.41 0 . 1 . . . . . 205 ASN N . 52200 2 763 . 1 . 1 206 206 ASN H H 1 7.7275 0 . 1 . . . . . 206 ASN H . 52200 2 764 . 1 . 1 206 206 ASN CA C 13 51.82 0 . 1 . . . . . 206 ASN CA . 52200 2 765 . 1 . 1 206 206 ASN CB C 13 39.96 0 . 1 . . . . . 206 ASN CB . 52200 2 766 . 1 . 1 206 206 ASN N N 15 120.25 0 . 1 . . . . . 206 ASN N . 52200 2 767 . 1 . 1 207 207 ALA H H 1 8.7596 0 . 1 . . . . . 207 ALA H . 52200 2 768 . 1 . 1 207 207 ALA CA C 13 55.77 0 . 1 . . . . . 207 ALA CA . 52200 2 769 . 1 . 1 207 207 ALA CB C 13 19.04 0 . 1 . . . . . 207 ALA CB . 52200 2 770 . 1 . 1 207 207 ALA N N 15 120.41 0 . 1 . . . . . 207 ALA N . 52200 2 771 . 1 . 1 208 208 THR H H 1 8.273 0 . 1 . . . . . 208 THR H . 52200 2 772 . 1 . 1 208 208 THR CA C 13 66.52 0 . 1 . . . . . 208 THR CA . 52200 2 773 . 1 . 1 208 208 THR CB C 13 68.48 0 . 1 . . . . . 208 THR CB . 52200 2 774 . 1 . 1 208 208 THR N N 15 118.48 0 . 1 . . . . . 208 THR N . 52200 2 775 . 1 . 1 209 209 VAL H H 1 8.1732 0 . 1 . . . . . 209 VAL H . 52200 2 776 . 1 . 1 209 209 VAL CA C 13 67.00 0 . 1 . . . . . 209 VAL CA . 52200 2 777 . 1 . 1 209 209 VAL CB C 13 33.16 0 . 1 . . . . . 209 VAL CB . 52200 2 778 . 1 . 1 209 209 VAL N N 15 124.16 0 . 1 . . . . . 209 VAL N . 52200 2 779 . 1 . 1 210 210 LYS H H 1 8.8687 0 . 1 . . . . . 210 LYS H . 52200 2 780 . 1 . 1 210 210 LYS CA C 13 59.02 0 . 1 . . . . . 210 LYS CA . 52200 2 781 . 1 . 1 210 210 LYS CB C 13 32.52 0 . 1 . . . . . 210 LYS CB . 52200 2 782 . 1 . 1 210 210 LYS N N 15 120.32 0 . 1 . . . . . 210 LYS N . 52200 2 783 . 1 . 1 211 211 ALA H H 1 7.7162 0 . 1 . . . . . 211 ALA H . 52200 2 784 . 1 . 1 211 211 ALA CA C 13 55.06 0 . 1 . . . . . 211 ALA CA . 52200 2 785 . 1 . 1 211 211 ALA CB C 13 18.07 0 . 1 . . . . . 211 ALA CB . 52200 2 786 . 1 . 1 211 211 ALA N N 15 120.25 0 . 1 . . . . . 211 ALA N . 52200 2 787 . 1 . 1 212 212 PHE H H 1 7.8191 0 . 1 . . . . . 212 PHE H . 52200 2 788 . 1 . 1 212 212 PHE CA C 13 60.55 0 . 1 . . . . . 212 PHE CA . 52200 2 789 . 1 . 1 212 212 PHE CB C 13 39.94 0 . 1 . . . . . 212 PHE CB . 52200 2 790 . 1 . 1 212 212 PHE N N 15 120.76 0 . 1 . . . . . 212 PHE N . 52200 2 791 . 1 . 1 213 213 TYR H H 1 8.8781 0 . 1 . . . . . 213 TYR H . 52200 2 792 . 1 . 1 213 213 TYR CA C 13 61.27 0 . 1 . . . . . 213 TYR CA . 52200 2 793 . 1 . 1 213 213 TYR CB C 13 38.52 0 . 1 . . . . . 213 TYR CB . 52200 2 794 . 1 . 1 213 213 TYR N N 15 122.52 0 . 1 . . . . . 213 TYR N . 52200 2 795 . 1 . 1 214 214 ASP H H 1 8.9852 0 . 1 . . . . . 214 ASP H . 52200 2 796 . 1 . 1 214 214 ASP CA C 13 56.78 0 . 1 . . . . . 214 ASP CA . 52200 2 797 . 1 . 1 214 214 ASP CB C 13 39.59 0 . 1 . . . . . 214 ASP CB . 52200 2 798 . 1 . 1 214 214 ASP N N 15 118.09 0 . 1 . . . . . 214 ASP N . 52200 2 799 . 1 . 1 215 215 TYR H H 1 7.852 0 . 1 . . . . . 215 TYR H . 52200 2 800 . 1 . 1 215 215 TYR CA C 13 61.64 0 . 1 . . . . . 215 TYR CA . 52200 2 801 . 1 . 1 215 215 TYR CB C 13 39.37 0 . 1 . . . . . 215 TYR CB . 52200 2 802 . 1 . 1 215 215 TYR N N 15 124.74 0 . 1 . . . . . 215 TYR N . 52200 2 803 . 1 . 1 216 216 LEU H H 1 7.9093 0 . 1 . . . . . 216 LEU H . 52200 2 804 . 1 . 1 216 216 LEU CA C 13 57.05 0 . 1 . . . . . 216 LEU CA . 52200 2 805 . 1 . 1 216 216 LEU CB C 13 41.69 0 . 1 . . . . . 216 LEU CB . 52200 2 806 . 1 . 1 216 216 LEU N N 15 119.50 0 . 1 . . . . . 216 LEU N . 52200 2 807 . 1 . 1 217 217 LYS H H 1 6.8283 0 . 1 . . . . . 217 LYS H . 52200 2 808 . 1 . 1 217 217 LYS CA C 13 55.26 0 . 1 . . . . . 217 LYS CA . 52200 2 809 . 1 . 1 217 217 LYS CB C 13 32.58 0 . 1 . . . . . 217 LYS CB . 52200 2 810 . 1 . 1 217 217 LYS N N 15 113.09 0 . 1 . . . . . 217 LYS N . 52200 2 811 . 1 . 1 218 218 GLY H H 1 7.654 0 . 1 . . . . . 218 GLY H . 52200 2 812 . 1 . 1 218 218 GLY CA C 13 44.96 0 . 1 . . . . . 218 GLY CA . 52200 2 813 . 1 . 1 218 218 GLY N N 15 109.67 0 . 1 . . . . . 218 GLY N . 52200 2 814 . 1 . 1 219 219 PRO CA C 13 64.53 0 . 1 . . . . . 219 PRO CA . 52200 2 815 . 1 . 1 220 220 GLN H H 1 7.722 0 . 1 . . . . . 220 GLN H . 52200 2 816 . 1 . 1 220 220 GLN CA C 13 59.39 0 . 1 . . . . . 220 GLN CA . 52200 2 817 . 1 . 1 220 220 GLN CB C 13 27.82 0 . 1 . . . . . 220 GLN CB . 52200 2 818 . 1 . 1 220 220 GLN N N 15 120.77 0 . 1 . . . . . 220 GLN N . 52200 2 819 . 1 . 1 221 221 ALA H H 1 8.2148 0 . 1 . . . . . 221 ALA H . 52200 2 820 . 1 . 1 221 221 ALA CA C 13 54.53 0 . 1 . . . . . 221 ALA CA . 52200 2 821 . 1 . 1 221 221 ALA CB C 13 18.52 0 . 1 . . . . . 221 ALA CB . 52200 2 822 . 1 . 1 221 221 ALA N N 15 123.29 0 . 1 . . . . . 221 ALA N . 52200 2 823 . 1 . 1 222 222 ALA H H 1 7.9716 0 . 1 . . . . . 222 ALA H . 52200 2 824 . 1 . 1 222 222 ALA CA C 13 55.90 0 . 1 . . . . . 222 ALA CA . 52200 2 825 . 1 . 1 222 222 ALA CB C 13 18.63 0 . 1 . . . . . 222 ALA CB . 52200 2 826 . 1 . 1 222 222 ALA N N 15 119.47 0 . 1 . . . . . 222 ALA N . 52200 2 827 . 1 . 1 223 223 GLU H H 1 7.3747 0 . 1 . . . . . 223 GLU H . 52200 2 828 . 1 . 1 223 223 GLU CA C 13 58.98 0 . 1 . . . . . 223 GLU CA . 52200 2 829 . 1 . 1 223 223 GLU CB C 13 29.29 0 . 1 . . . . . 223 GLU CB . 52200 2 830 . 1 . 1 223 223 GLU N N 15 115.80 0 . 1 . . . . . 223 GLU N . 52200 2 831 . 1 . 1 224 224 ILE H H 1 7.2502 0 . 1 . . . . . 224 ILE H . 52200 2 832 . 1 . 1 224 224 ILE CA C 13 65.62 0 . 1 . . . . . 224 ILE CA . 52200 2 833 . 1 . 1 224 224 ILE CB C 13 38.14 0 . 1 . . . . . 224 ILE CB . 52200 2 834 . 1 . 1 224 224 ILE N N 15 122.10 0 . 1 . . . . . 224 ILE N . 52200 2 835 . 1 . 1 225 225 PHE H H 1 8.9538 0 . 1 . . . . . 225 PHE H . 52200 2 836 . 1 . 1 225 225 PHE CA C 13 61.84 0 . 1 . . . . . 225 PHE CA . 52200 2 837 . 1 . 1 225 225 PHE CB C 13 38.29 0 . 1 . . . . . 225 PHE CB . 52200 2 838 . 1 . 1 225 225 PHE N N 15 119.08 0 . 1 . . . . . 225 PHE N . 52200 2 839 . 1 . 1 226 226 LYS H H 1 8.5808 0 . 1 . . . . . 226 LYS H . 52200 2 840 . 1 . 1 226 226 LYS CA C 13 59.77 0 . 1 . . . . . 226 LYS CA . 52200 2 841 . 1 . 1 226 226 LYS CB C 13 32.61 0 . 1 . . . . . 226 LYS CB . 52200 2 842 . 1 . 1 226 226 LYS N N 15 118.86 0 . 1 . . . . . 226 LYS N . 52200 2 843 . 1 . 1 227 227 ARG H H 1 8.0264 0 . 1 . . . . . 227 ARG H . 52200 2 844 . 1 . 1 227 227 ARG CA C 13 58.83 0 . 1 . . . . . 227 ARG CA . 52200 2 845 . 1 . 1 227 227 ARG CB C 13 29.62 0 . 1 . . . . . 227 ARG CB . 52200 2 846 . 1 . 1 227 227 ARG N N 15 123.33 0 . 1 . . . . . 227 ARG N . 52200 2 847 . 1 . 1 228 228 TYR H H 1 7.7246 0 . 1 . . . . . 228 TYR H . 52200 2 848 . 1 . 1 228 228 TYR CA C 13 60.48 0 . 1 . . . . . 228 TYR CA . 52200 2 849 . 1 . 1 228 228 TYR CB C 13 39.13 0 . 1 . . . . . 228 TYR CB . 52200 2 850 . 1 . 1 228 228 TYR N N 15 117.27 0 . 1 . . . . . 228 TYR N . 52200 2 851 . 1 . 1 229 229 GLY H H 1 7.7466 0 . 1 . . . . . 229 GLY H . 52200 2 852 . 1 . 1 229 229 GLY CA C 13 45.75 0 . 1 . . . . . 229 GLY CA . 52200 2 853 . 1 . 1 229 229 GLY N N 15 103.57 0 . 1 . . . . . 229 GLY N . 52200 2 854 . 1 . 1 230 230 PHE H H 1 7.9221 0 . 1 . . . . . 230 PHE H . 52200 2 855 . 1 . 1 230 230 PHE CA C 13 58.50 0 . 1 . . . . . 230 PHE CA . 52200 2 856 . 1 . 1 230 230 PHE CB C 13 40.90 0 . 1 . . . . . 230 PHE CB . 52200 2 857 . 1 . 1 230 230 PHE N N 15 118.64 0 . 1 . . . . . 230 PHE N . 52200 2 858 . 1 . 1 231 231 THR H H 1 7.8689 0 . 1 . . . . . 231 THR H . 52200 2 859 . 1 . 1 231 231 THR CA C 13 60.30 0 . 1 . . . . . 231 THR CA . 52200 2 860 . 1 . 1 231 231 THR CB C 13 70.09 0 . 1 . . . . . 231 THR CB . 52200 2 861 . 1 . 1 231 231 THR N N 15 112.90 0 . 1 . . . . . 231 THR N . 52200 2 862 . 1 . 1 232 232 ILE H H 1 8.4912 0 . 1 . . . . . 232 ILE H . 52200 2 863 . 1 . 1 232 232 ILE CA C 13 59.59 0 . 1 . . . . . 232 ILE CA . 52200 2 864 . 1 . 1 232 232 ILE CB C 13 38.11 0 . 1 . . . . . 232 ILE CB . 52200 2 865 . 1 . 1 232 232 ILE N N 15 123.60 0 . 1 . . . . . 232 ILE N . 52200 2 866 . 1 . 1 233 233 LYS H H 1 7.5538 0 . 1 . . . . . 233 LYS H . 52200 2 867 . 1 . 1 233 233 LYS CA C 13 56.75 0 . 1 . . . . . 233 LYS CA . 52200 2 868 . 1 . 1 233 233 LYS CB C 13 32.61 0 . 1 . . . . . 233 LYS CB . 52200 2 869 . 1 . 1 233 233 LYS N N 15 131.89 0 . 1 . . . . . 233 LYS N . 52200 2 stop_ save_