data_27594 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27594 _Entry.Title ; Backbone resonance assignments for the CsuC-CsuA/B complex. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-08-30 _Entry.Accession_date 2018-08-30 _Entry.Last_release_date 2018-08-31 _Entry.Original_release_date 2018-08-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Backbone resonance assignment (HN, N, Ca, Cb and CO) of CsuC-CsuA/B chaperone-major subunit pre-assembly complex from Csu biofilm-mediating pili of Acinetobacter baumannii. ; _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 Sophie McKenna . . . . 27594 2 Yingqi Xu . . . . 27594 3 Stephen Matthews . . . . 27594 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Imperial College London' . 27594 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27594 heteronucl_NOEs 2 27594 heteronucl_T1_relaxation 2 27594 heteronucl_T2_relaxation 2 27594 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 834 27594 '15N chemical shifts' 262 27594 '1H chemical shifts' 262 27594 'T1 relaxation values' 240 27594 'T2 relaxation values' 240 27594 'heteronuclear NOE values' 259 27594 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 3 . . 2019-01-04 2018-08-30 update BMRB 'update entry citation' 27594 2 . . 2018-10-17 2018-08-30 update BMRB 'update entry citation' 27594 1 . . 2018-09-18 2018-08-30 original author 'original release' 27594 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5D6H ; Crystal structure of CsuC-CsuA/B chaperone-major subunit pre-assembly complex from Csu biofilm-mediating pili of Acinetobacter baumannii ; 27594 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27594 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30228191 _Citation.Full_citation . _Citation.Title ; Archaic and alternative chaperones preserve pilin folding energy by providing incomplete structural information ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 293 _Citation.Journal_issue 44 _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 17070 _Citation.Page_last 17080 _Citation.Year 2018 _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 Natalia Pakharukova . . . . 27594 1 2 Sophie McKenna . . . . 27594 1 3 Minna Tuittila . . . . 27594 1 4 Sari Paavilainen . . . . 27594 1 5 Henri Malmi . . . . 27594 1 6 Yingqi Xu . . . . 27594 1 7 Olena Parilova . . . . 27594 1 8 Stephen Matthews . . . . 27594 1 9 Anton Zavialov . . . . 27594 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27594 _Assembly.ID 1 _Assembly.Name CsuC-CsuA/B _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 42868.16 _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 CsuC 1 $CsuC A . yes native no no . . . 27594 1 2 CsuA/B 2 $CsuA-B B . yes 'partially disordered' no no . . . 27594 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 2 . 2 CYS 13 13 SG . 2 . 2 CYS 60 60 SG . . . . . . . . . . . . 27594 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 5D6H . . X-ray 2.4 . . 27594 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Chaperone-major subunit pre-assembly complex from Csu biofilm-mediating pili of Acinetobacter baumannii' 27594 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CsuC _Entity.Sf_category entity _Entity.Sf_framecode CsuC _Entity.Entry_ID 27594 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CsuC _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 ; ATFLIWPIYPKIEANEKATA VWLQNTGKTDAMVQIRVFKW NQDGLKDNYSEQSEIIPSPP VAKIKAGEKHMLRLTKSVNL PDGKEQSYRLIVDELPIRLS DGNEQDASKVSFQMRYSIPL FAYGKGIGSGLTEESQKLNA KNALAKPVLQWSVRNNQQGQ SELYLKNNGQKFARLSALKT SKTGNDISLGKAAFGYVLSN STVKFAIDQSTAHELAKTSK IYGVDSSGIKQELIEITKME DPS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq A,1 _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 243 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Mature CsuC without siganl peptide.' _Entity.Mutation none _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26970.71 _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 UniProtKB Q6XBY4 . CsuC . . . . . . . . . . . . . . 27594 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Chaperone of the Csu biofilm-mediating pili of Acinetobacter baumannii' 27594 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 . ALA . 27594 1 2 . THR . 27594 1 3 . PHE . 27594 1 4 . LEU . 27594 1 5 . ILE . 27594 1 6 . TRP . 27594 1 7 . PRO . 27594 1 8 . ILE . 27594 1 9 . TYR . 27594 1 10 . PRO . 27594 1 11 . LYS . 27594 1 12 . ILE . 27594 1 13 . GLU . 27594 1 14 . ALA . 27594 1 15 . ASN . 27594 1 16 . GLU . 27594 1 17 . LYS . 27594 1 18 . ALA . 27594 1 19 . THR . 27594 1 20 . ALA . 27594 1 21 . VAL . 27594 1 22 . TRP . 27594 1 23 . LEU . 27594 1 24 . GLN . 27594 1 25 . ASN . 27594 1 26 . THR . 27594 1 27 . GLY . 27594 1 28 . LYS . 27594 1 29 . THR . 27594 1 30 . ASP . 27594 1 31 . ALA . 27594 1 32 . MET . 27594 1 33 . VAL . 27594 1 34 . GLN . 27594 1 35 . ILE . 27594 1 36 . ARG . 27594 1 37 . VAL . 27594 1 38 . PHE . 27594 1 39 . LYS . 27594 1 40 . TRP . 27594 1 41 . ASN . 27594 1 42 . GLN . 27594 1 43 . ASP . 27594 1 44 . GLY . 27594 1 45 . LEU . 27594 1 46 . LYS . 27594 1 47 . ASP . 27594 1 48 . ASN . 27594 1 49 . TYR . 27594 1 50 . SER . 27594 1 51 . GLU . 27594 1 52 . GLN . 27594 1 53 . SER . 27594 1 54 . GLU . 27594 1 55 . ILE . 27594 1 56 . ILE . 27594 1 57 . PRO . 27594 1 58 . SER . 27594 1 59 . PRO . 27594 1 60 . PRO . 27594 1 61 . VAL . 27594 1 62 . ALA . 27594 1 63 . LYS . 27594 1 64 . ILE . 27594 1 65 . LYS . 27594 1 66 . ALA . 27594 1 67 . GLY . 27594 1 68 . GLU . 27594 1 69 . LYS . 27594 1 70 . HIS . 27594 1 71 . MET . 27594 1 72 . LEU . 27594 1 73 . ARG . 27594 1 74 . LEU . 27594 1 75 . THR . 27594 1 76 . LYS . 27594 1 77 . SER . 27594 1 78 . VAL . 27594 1 79 . ASN . 27594 1 80 . LEU . 27594 1 81 . PRO . 27594 1 82 . ASP . 27594 1 83 . GLY . 27594 1 84 . LYS . 27594 1 85 . GLU . 27594 1 86 . GLN . 27594 1 87 . SER . 27594 1 88 . TYR . 27594 1 89 . ARG . 27594 1 90 . LEU . 27594 1 91 . ILE . 27594 1 92 . VAL . 27594 1 93 . ASP . 27594 1 94 . GLU . 27594 1 95 . LEU . 27594 1 96 . PRO . 27594 1 97 . ILE . 27594 1 98 . ARG . 27594 1 99 . LEU . 27594 1 100 . SER . 27594 1 101 . ASP . 27594 1 102 . GLY . 27594 1 103 . ASN . 27594 1 104 . GLU . 27594 1 105 . GLN . 27594 1 106 . ASP . 27594 1 107 . ALA . 27594 1 108 . SER . 27594 1 109 . LYS . 27594 1 110 . VAL . 27594 1 111 . SER . 27594 1 112 . PHE . 27594 1 113 . GLN . 27594 1 114 . MET . 27594 1 115 . ARG . 27594 1 116 . TYR . 27594 1 117 . SER . 27594 1 118 . ILE . 27594 1 119 . PRO . 27594 1 120 . LEU . 27594 1 121 . PHE . 27594 1 122 . ALA . 27594 1 123 . TYR . 27594 1 124 . GLY . 27594 1 125 . LYS . 27594 1 126 . GLY . 27594 1 127 . ILE . 27594 1 128 . GLY . 27594 1 129 . SER . 27594 1 130 . GLY . 27594 1 131 . LEU . 27594 1 132 . THR . 27594 1 133 . GLU . 27594 1 134 . GLU . 27594 1 135 . SER . 27594 1 136 . GLN . 27594 1 137 . LYS . 27594 1 138 . LEU . 27594 1 139 . ASN . 27594 1 140 . ALA . 27594 1 141 . LYS . 27594 1 142 . ASN . 27594 1 143 . ALA . 27594 1 144 . LEU . 27594 1 145 . ALA . 27594 1 146 . LYS . 27594 1 147 . PRO . 27594 1 148 . VAL . 27594 1 149 . LEU . 27594 1 150 . GLN . 27594 1 151 . TRP . 27594 1 152 . SER . 27594 1 153 . VAL . 27594 1 154 . ARG . 27594 1 155 . ASN . 27594 1 156 . ASN . 27594 1 157 . GLN . 27594 1 158 . GLN . 27594 1 159 . GLY . 27594 1 160 . GLN . 27594 1 161 . SER . 27594 1 162 . GLU . 27594 1 163 . LEU . 27594 1 164 . TYR . 27594 1 165 . LEU . 27594 1 166 . LYS . 27594 1 167 . ASN . 27594 1 168 . ASN . 27594 1 169 . GLY . 27594 1 170 . GLN . 27594 1 171 . LYS . 27594 1 172 . PHE . 27594 1 173 . ALA . 27594 1 174 . ARG . 27594 1 175 . LEU . 27594 1 176 . SER . 27594 1 177 . ALA . 27594 1 178 . LEU . 27594 1 179 . LYS . 27594 1 180 . THR . 27594 1 181 . SER . 27594 1 182 . LYS . 27594 1 183 . THR . 27594 1 184 . GLY . 27594 1 185 . ASN . 27594 1 186 . ASP . 27594 1 187 . ILE . 27594 1 188 . SER . 27594 1 189 . LEU . 27594 1 190 . GLY . 27594 1 191 . LYS . 27594 1 192 . ALA . 27594 1 193 . ALA . 27594 1 194 . PHE . 27594 1 195 . GLY . 27594 1 196 . TYR . 27594 1 197 . VAL . 27594 1 198 . LEU . 27594 1 199 . SER . 27594 1 200 . ASN . 27594 1 201 . SER . 27594 1 202 . THR . 27594 1 203 . VAL . 27594 1 204 . LYS . 27594 1 205 . PHE . 27594 1 206 . ALA . 27594 1 207 . ILE . 27594 1 208 . ASP . 27594 1 209 . GLN . 27594 1 210 . SER . 27594 1 211 . THR . 27594 1 212 . ALA . 27594 1 213 . HIS . 27594 1 214 . GLU . 27594 1 215 . LEU . 27594 1 216 . ALA . 27594 1 217 . LYS . 27594 1 218 . THR . 27594 1 219 . SER . 27594 1 220 . LYS . 27594 1 221 . ILE . 27594 1 222 . TYR . 27594 1 223 . GLY . 27594 1 224 . VAL . 27594 1 225 . ASP . 27594 1 226 . SER . 27594 1 227 . SER . 27594 1 228 . GLY . 27594 1 229 . ILE . 27594 1 230 . LYS . 27594 1 231 . GLN . 27594 1 232 . GLU . 27594 1 233 . LEU . 27594 1 234 . ILE . 27594 1 235 . GLU . 27594 1 236 . ILE . 27594 1 237 . THR . 27594 1 238 . LYS . 27594 1 239 . MET . 27594 1 240 . GLU . 27594 1 241 . ASP . 27594 1 242 . PRO . 27594 1 243 . SER . 27594 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 . ALA 1 1 27594 1 . THR 2 2 27594 1 . PHE 3 3 27594 1 . LEU 4 4 27594 1 . ILE 5 5 27594 1 . TRP 6 6 27594 1 . PRO 7 7 27594 1 . ILE 8 8 27594 1 . TYR 9 9 27594 1 . PRO 10 10 27594 1 . LYS 11 11 27594 1 . ILE 12 12 27594 1 . GLU 13 13 27594 1 . ALA 14 14 27594 1 . ASN 15 15 27594 1 . GLU 16 16 27594 1 . LYS 17 17 27594 1 . ALA 18 18 27594 1 . THR 19 19 27594 1 . ALA 20 20 27594 1 . VAL 21 21 27594 1 . TRP 22 22 27594 1 . LEU 23 23 27594 1 . GLN 24 24 27594 1 . ASN 25 25 27594 1 . THR 26 26 27594 1 . GLY 27 27 27594 1 . LYS 28 28 27594 1 . THR 29 29 27594 1 . ASP 30 30 27594 1 . ALA 31 31 27594 1 . MET 32 32 27594 1 . VAL 33 33 27594 1 . GLN 34 34 27594 1 . ILE 35 35 27594 1 . ARG 36 36 27594 1 . VAL 37 37 27594 1 . PHE 38 38 27594 1 . LYS 39 39 27594 1 . TRP 40 40 27594 1 . ASN 41 41 27594 1 . GLN 42 42 27594 1 . ASP 43 43 27594 1 . GLY 44 44 27594 1 . LEU 45 45 27594 1 . LYS 46 46 27594 1 . ASP 47 47 27594 1 . ASN 48 48 27594 1 . TYR 49 49 27594 1 . SER 50 50 27594 1 . GLU 51 51 27594 1 . GLN 52 52 27594 1 . SER 53 53 27594 1 . GLU 54 54 27594 1 . ILE 55 55 27594 1 . ILE 56 56 27594 1 . PRO 57 57 27594 1 . SER 58 58 27594 1 . PRO 59 59 27594 1 . PRO 60 60 27594 1 . VAL 61 61 27594 1 . ALA 62 62 27594 1 . LYS 63 63 27594 1 . ILE 64 64 27594 1 . LYS 65 65 27594 1 . ALA 66 66 27594 1 . GLY 67 67 27594 1 . GLU 68 68 27594 1 . LYS 69 69 27594 1 . HIS 70 70 27594 1 . MET 71 71 27594 1 . LEU 72 72 27594 1 . ARG 73 73 27594 1 . LEU 74 74 27594 1 . THR 75 75 27594 1 . LYS 76 76 27594 1 . SER 77 77 27594 1 . VAL 78 78 27594 1 . ASN 79 79 27594 1 . LEU 80 80 27594 1 . PRO 81 81 27594 1 . ASP 82 82 27594 1 . GLY 83 83 27594 1 . LYS 84 84 27594 1 . GLU 85 85 27594 1 . GLN 86 86 27594 1 . SER 87 87 27594 1 . TYR 88 88 27594 1 . ARG 89 89 27594 1 . LEU 90 90 27594 1 . ILE 91 91 27594 1 . VAL 92 92 27594 1 . ASP 93 93 27594 1 . GLU 94 94 27594 1 . LEU 95 95 27594 1 . PRO 96 96 27594 1 . ILE 97 97 27594 1 . ARG 98 98 27594 1 . LEU 99 99 27594 1 . SER 100 100 27594 1 . ASP 101 101 27594 1 . GLY 102 102 27594 1 . ASN 103 103 27594 1 . GLU 104 104 27594 1 . GLN 105 105 27594 1 . ASP 106 106 27594 1 . ALA 107 107 27594 1 . SER 108 108 27594 1 . LYS 109 109 27594 1 . VAL 110 110 27594 1 . SER 111 111 27594 1 . PHE 112 112 27594 1 . GLN 113 113 27594 1 . MET 114 114 27594 1 . ARG 115 115 27594 1 . TYR 116 116 27594 1 . SER 117 117 27594 1 . ILE 118 118 27594 1 . PRO 119 119 27594 1 . LEU 120 120 27594 1 . PHE 121 121 27594 1 . ALA 122 122 27594 1 . TYR 123 123 27594 1 . GLY 124 124 27594 1 . LYS 125 125 27594 1 . GLY 126 126 27594 1 . ILE 127 127 27594 1 . GLY 128 128 27594 1 . SER 129 129 27594 1 . GLY 130 130 27594 1 . LEU 131 131 27594 1 . THR 132 132 27594 1 . GLU 133 133 27594 1 . GLU 134 134 27594 1 . SER 135 135 27594 1 . GLN 136 136 27594 1 . LYS 137 137 27594 1 . LEU 138 138 27594 1 . ASN 139 139 27594 1 . ALA 140 140 27594 1 . LYS 141 141 27594 1 . ASN 142 142 27594 1 . ALA 143 143 27594 1 . LEU 144 144 27594 1 . ALA 145 145 27594 1 . LYS 146 146 27594 1 . PRO 147 147 27594 1 . VAL 148 148 27594 1 . LEU 149 149 27594 1 . GLN 150 150 27594 1 . TRP 151 151 27594 1 . SER 152 152 27594 1 . VAL 153 153 27594 1 . ARG 154 154 27594 1 . ASN 155 155 27594 1 . ASN 156 156 27594 1 . GLN 157 157 27594 1 . GLN 158 158 27594 1 . GLY 159 159 27594 1 . GLN 160 160 27594 1 . SER 161 161 27594 1 . GLU 162 162 27594 1 . LEU 163 163 27594 1 . TYR 164 164 27594 1 . LEU 165 165 27594 1 . LYS 166 166 27594 1 . ASN 167 167 27594 1 . ASN 168 168 27594 1 . GLY 169 169 27594 1 . GLN 170 170 27594 1 . LYS 171 171 27594 1 . PHE 172 172 27594 1 . ALA 173 173 27594 1 . ARG 174 174 27594 1 . LEU 175 175 27594 1 . SER 176 176 27594 1 . ALA 177 177 27594 1 . LEU 178 178 27594 1 . LYS 179 179 27594 1 . THR 180 180 27594 1 . SER 181 181 27594 1 . LYS 182 182 27594 1 . THR 183 183 27594 1 . GLY 184 184 27594 1 . ASN 185 185 27594 1 . ASP 186 186 27594 1 . ILE 187 187 27594 1 . SER 188 188 27594 1 . LEU 189 189 27594 1 . GLY 190 190 27594 1 . LYS 191 191 27594 1 . ALA 192 192 27594 1 . ALA 193 193 27594 1 . PHE 194 194 27594 1 . GLY 195 195 27594 1 . TYR 196 196 27594 1 . VAL 197 197 27594 1 . LEU 198 198 27594 1 . SER 199 199 27594 1 . ASN 200 200 27594 1 . SER 201 201 27594 1 . THR 202 202 27594 1 . VAL 203 203 27594 1 . LYS 204 204 27594 1 . PHE 205 205 27594 1 . ALA 206 206 27594 1 . ILE 207 207 27594 1 . ASP 208 208 27594 1 . GLN 209 209 27594 1 . SER 210 210 27594 1 . THR 211 211 27594 1 . ALA 212 212 27594 1 . HIS 213 213 27594 1 . GLU 214 214 27594 1 . LEU 215 215 27594 1 . ALA 216 216 27594 1 . LYS 217 217 27594 1 . THR 218 218 27594 1 . SER 219 219 27594 1 . LYS 220 220 27594 1 . ILE 221 221 27594 1 . TYR 222 222 27594 1 . GLY 223 223 27594 1 . VAL 224 224 27594 1 . ASP 225 225 27594 1 . SER 226 226 27594 1 . SER 227 227 27594 1 . GLY 228 228 27594 1 . ILE 229 229 27594 1 . LYS 230 230 27594 1 . GLN 231 231 27594 1 . GLU 232 232 27594 1 . LEU 233 233 27594 1 . ILE 234 234 27594 1 . GLU 235 235 27594 1 . ILE 236 236 27594 1 . THR 237 237 27594 1 . LYS 238 238 27594 1 . MET 239 239 27594 1 . GLU 240 240 27594 1 . ASP 241 241 27594 1 . PRO 242 242 27594 1 . SER 243 243 27594 1 stop_ save_ save_CsuA-B _Entity.Sf_category entity _Entity.Sf_framecode CsuA-B _Entity.Entry_ID 27594 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CsuA/B _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 ; AVTHHHHHHSTGCTVGGSQT EGNMNKFGTLNFGKTSGTWN NVLTAEVASAATGGNISVTC DGTDPVDFTVAIDGGERTDR TLKNTASADVVAYNVYRDAA RTNLYVVNQPQQFTTVSGQA TAVPIFGAIAPNTGTPKAQG DYKDTLLVTVNF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq A,1 _Entity.Polymer_author_seq_details ; Residues 4 to 12 in the mature protein (29 to 37 in the full sequence before signal peptide removal) were replaced by a 6H-coding fragment to produce a N-terminal hexa-histag. ; _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Mature CsuA/B without siganl peptide.' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15915.46 _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 UniProtKB Q6XBY7 . CsuA/B . . . . . . . . . . . . . . 27594 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Major pilus subunit from the Csu biofilm-mediating pili of Acinetobacter baumannii' 27594 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 . ALA . 27594 2 2 . VAL . 27594 2 3 . THR . 27594 2 4 . HIS . 27594 2 5 . HIS . 27594 2 6 . HIS . 27594 2 7 . HIS . 27594 2 8 . HIS . 27594 2 9 . HIS . 27594 2 10 . SER . 27594 2 11 . THR . 27594 2 12 . GLY . 27594 2 13 . CYS . 27594 2 14 . THR . 27594 2 15 . VAL . 27594 2 16 . GLY . 27594 2 17 . GLY . 27594 2 18 . SER . 27594 2 19 . GLN . 27594 2 20 . THR . 27594 2 21 . GLU . 27594 2 22 . GLY . 27594 2 23 . ASN . 27594 2 24 . MET . 27594 2 25 . ASN . 27594 2 26 . LYS . 27594 2 27 . PHE . 27594 2 28 . GLY . 27594 2 29 . THR . 27594 2 30 . LEU . 27594 2 31 . ASN . 27594 2 32 . PHE . 27594 2 33 . GLY . 27594 2 34 . LYS . 27594 2 35 . THR . 27594 2 36 . SER . 27594 2 37 . GLY . 27594 2 38 . THR . 27594 2 39 . TRP . 27594 2 40 . ASN . 27594 2 41 . ASN . 27594 2 42 . VAL . 27594 2 43 . LEU . 27594 2 44 . THR . 27594 2 45 . ALA . 27594 2 46 . GLU . 27594 2 47 . VAL . 27594 2 48 . ALA . 27594 2 49 . SER . 27594 2 50 . ALA . 27594 2 51 . ALA . 27594 2 52 . THR . 27594 2 53 . GLY . 27594 2 54 . GLY . 27594 2 55 . ASN . 27594 2 56 . ILE . 27594 2 57 . SER . 27594 2 58 . VAL . 27594 2 59 . THR . 27594 2 60 . CYS . 27594 2 61 . ASP . 27594 2 62 . GLY . 27594 2 63 . THR . 27594 2 64 . ASP . 27594 2 65 . PRO . 27594 2 66 . VAL . 27594 2 67 . ASP . 27594 2 68 . PHE . 27594 2 69 . THR . 27594 2 70 . VAL . 27594 2 71 . ALA . 27594 2 72 . ILE . 27594 2 73 . ASP . 27594 2 74 . GLY . 27594 2 75 . GLY . 27594 2 76 . GLU . 27594 2 77 . ARG . 27594 2 78 . THR . 27594 2 79 . ASP . 27594 2 80 . ARG . 27594 2 81 . THR . 27594 2 82 . LEU . 27594 2 83 . LYS . 27594 2 84 . ASN . 27594 2 85 . THR . 27594 2 86 . ALA . 27594 2 87 . SER . 27594 2 88 . ALA . 27594 2 89 . ASP . 27594 2 90 . VAL . 27594 2 91 . VAL . 27594 2 92 . ALA . 27594 2 93 . TYR . 27594 2 94 . ASN . 27594 2 95 . VAL . 27594 2 96 . TYR . 27594 2 97 . ARG . 27594 2 98 . ASP . 27594 2 99 . ALA . 27594 2 100 . ALA . 27594 2 101 . ARG . 27594 2 102 . THR . 27594 2 103 . ASN . 27594 2 104 . LEU . 27594 2 105 . TYR . 27594 2 106 . VAL . 27594 2 107 . VAL . 27594 2 108 . ASN . 27594 2 109 . GLN . 27594 2 110 . PRO . 27594 2 111 . GLN . 27594 2 112 . GLN . 27594 2 113 . PHE . 27594 2 114 . THR . 27594 2 115 . THR . 27594 2 116 . VAL . 27594 2 117 . SER . 27594 2 118 . GLY . 27594 2 119 . GLN . 27594 2 120 . ALA . 27594 2 121 . THR . 27594 2 122 . ALA . 27594 2 123 . VAL . 27594 2 124 . PRO . 27594 2 125 . ILE . 27594 2 126 . PHE . 27594 2 127 . GLY . 27594 2 128 . ALA . 27594 2 129 . ILE . 27594 2 130 . ALA . 27594 2 131 . PRO . 27594 2 132 . ASN . 27594 2 133 . THR . 27594 2 134 . GLY . 27594 2 135 . THR . 27594 2 136 . PRO . 27594 2 137 . LYS . 27594 2 138 . ALA . 27594 2 139 . GLN . 27594 2 140 . GLY . 27594 2 141 . ASP . 27594 2 142 . TYR . 27594 2 143 . LYS . 27594 2 144 . ASP . 27594 2 145 . THR . 27594 2 146 . LEU . 27594 2 147 . LEU . 27594 2 148 . VAL . 27594 2 149 . THR . 27594 2 150 . VAL . 27594 2 151 . ASN . 27594 2 152 . PHE . 27594 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 27594 2 . VAL 2 2 27594 2 . THR 3 3 27594 2 . HIS 4 4 27594 2 . HIS 5 5 27594 2 . HIS 6 6 27594 2 . HIS 7 7 27594 2 . HIS 8 8 27594 2 . HIS 9 9 27594 2 . SER 10 10 27594 2 . THR 11 11 27594 2 . GLY 12 12 27594 2 . CYS 13 13 27594 2 . THR 14 14 27594 2 . VAL 15 15 27594 2 . GLY 16 16 27594 2 . GLY 17 17 27594 2 . SER 18 18 27594 2 . GLN 19 19 27594 2 . THR 20 20 27594 2 . GLU 21 21 27594 2 . GLY 22 22 27594 2 . ASN 23 23 27594 2 . MET 24 24 27594 2 . ASN 25 25 27594 2 . LYS 26 26 27594 2 . PHE 27 27 27594 2 . GLY 28 28 27594 2 . THR 29 29 27594 2 . LEU 30 30 27594 2 . ASN 31 31 27594 2 . PHE 32 32 27594 2 . GLY 33 33 27594 2 . LYS 34 34 27594 2 . THR 35 35 27594 2 . SER 36 36 27594 2 . GLY 37 37 27594 2 . THR 38 38 27594 2 . TRP 39 39 27594 2 . ASN 40 40 27594 2 . ASN 41 41 27594 2 . VAL 42 42 27594 2 . LEU 43 43 27594 2 . THR 44 44 27594 2 . ALA 45 45 27594 2 . GLU 46 46 27594 2 . VAL 47 47 27594 2 . ALA 48 48 27594 2 . SER 49 49 27594 2 . ALA 50 50 27594 2 . ALA 51 51 27594 2 . THR 52 52 27594 2 . GLY 53 53 27594 2 . GLY 54 54 27594 2 . ASN 55 55 27594 2 . ILE 56 56 27594 2 . SER 57 57 27594 2 . VAL 58 58 27594 2 . THR 59 59 27594 2 . CYS 60 60 27594 2 . ASP 61 61 27594 2 . GLY 62 62 27594 2 . THR 63 63 27594 2 . ASP 64 64 27594 2 . PRO 65 65 27594 2 . VAL 66 66 27594 2 . ASP 67 67 27594 2 . PHE 68 68 27594 2 . THR 69 69 27594 2 . VAL 70 70 27594 2 . ALA 71 71 27594 2 . ILE 72 72 27594 2 . ASP 73 73 27594 2 . GLY 74 74 27594 2 . GLY 75 75 27594 2 . GLU 76 76 27594 2 . ARG 77 77 27594 2 . THR 78 78 27594 2 . ASP 79 79 27594 2 . ARG 80 80 27594 2 . THR 81 81 27594 2 . LEU 82 82 27594 2 . LYS 83 83 27594 2 . ASN 84 84 27594 2 . THR 85 85 27594 2 . ALA 86 86 27594 2 . SER 87 87 27594 2 . ALA 88 88 27594 2 . ASP 89 89 27594 2 . VAL 90 90 27594 2 . VAL 91 91 27594 2 . ALA 92 92 27594 2 . TYR 93 93 27594 2 . ASN 94 94 27594 2 . VAL 95 95 27594 2 . TYR 96 96 27594 2 . ARG 97 97 27594 2 . ASP 98 98 27594 2 . ALA 99 99 27594 2 . ALA 100 100 27594 2 . ARG 101 101 27594 2 . THR 102 102 27594 2 . ASN 103 103 27594 2 . LEU 104 104 27594 2 . TYR 105 105 27594 2 . VAL 106 106 27594 2 . VAL 107 107 27594 2 . ASN 108 108 27594 2 . GLN 109 109 27594 2 . PRO 110 110 27594 2 . GLN 111 111 27594 2 . GLN 112 112 27594 2 . PHE 113 113 27594 2 . THR 114 114 27594 2 . THR 115 115 27594 2 . VAL 116 116 27594 2 . SER 117 117 27594 2 . GLY 118 118 27594 2 . GLN 119 119 27594 2 . ALA 120 120 27594 2 . THR 121 121 27594 2 . ALA 122 122 27594 2 . VAL 123 123 27594 2 . PRO 124 124 27594 2 . ILE 125 125 27594 2 . PHE 126 126 27594 2 . GLY 127 127 27594 2 . ALA 128 128 27594 2 . ILE 129 129 27594 2 . ALA 130 130 27594 2 . PRO 131 131 27594 2 . ASN 132 132 27594 2 . THR 133 133 27594 2 . GLY 134 134 27594 2 . THR 135 135 27594 2 . PRO 136 136 27594 2 . LYS 137 137 27594 2 . ALA 138 138 27594 2 . GLN 139 139 27594 2 . GLY 140 140 27594 2 . ASP 141 141 27594 2 . TYR 142 142 27594 2 . LYS 143 143 27594 2 . ASP 144 144 27594 2 . THR 145 145 27594 2 . LEU 146 146 27594 2 . LEU 147 147 27594 2 . VAL 148 148 27594 2 . THR 149 149 27594 2 . VAL 150 150 27594 2 . ASN 151 151 27594 2 . PHE 152 152 27594 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27594 _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 $CsuC . 470 organism . 'Acinetobacter baumannii' 'Acinetobacter baumannii' . . Bacteria . Acinetobacter baumannii . . . . . . . . . . . . . 27594 1 2 2 $CsuA-B . 470 organism . 'Acinetobacter baumannii' 'Acinetobacter baumannii' . . Bacteria . Acinetobacter baumannii . . . . . . . . . . . . . 27594 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27594 _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 $CsuC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-AI . . . . . pET101-CsuC-6HCsuA/B . . . 27594 1 2 2 $CsuA-B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-AI . . . . . pET101-CsuC-6HCsuA/B . . . 27594 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27594 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 M [U- 2H, 13C, 15N] CsuC-CsuA/B in 50 mM sodium phosphate pH 6.0, 50 mM NaCl, 10% D2O.' _Sample.Aggregate_sample_number . _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 CsuC '[U-13C; U-15N; U-2H]' . . 1 $CsuC . . 500 . . uM . . . . 27594 1 2 CsuA/B '[U-13C; U-15N; U-2H]' . . 2 $CsuA-B . . 500 . . uM . . . . 27594 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27594 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27594 1 5 D2O [U-2H] . . . . . . 10 . . % . . . . 27594 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 27594 _Sample_condition_list.ID 1 _Sample_condition_list.Details '500 M [U- 2H, 13C, 15N] CsuC-CsuA/B in 50 mM sodium phosphate pH 6.0, 50 mM NaCl, 10% D2O.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 27594 1 pH 6.0 . pH 27594 1 pressure 1 . atm 27594 1 temperature 298 . K 27594 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27594 _Software.ID 1 _Software.Type . _Software.Name CCPN_Analysis _Software.Version 2.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27594 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27594 1 'data analysis' 27594 1 'peak picking' 27594 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27594 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27594 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27594 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27594 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27594 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27594 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27594 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27594 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27594 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 950 . . . 27594 1 2 spectrometer_2 Bruker Avance . 800 . . . 27594 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27594 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27594 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27594 1 3 '2D 1H-15N Trosy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27594 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27594 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27594 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27594 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449519 . . . . . 27594 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . 27594 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10134133880514666048 . . . . . 27594 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27594 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 '3D CBCA(CO)NH' . . . 27594 1 2 '3D HNCACB' . . . 27594 1 3 '2D 1H-15N Trosy' . . . 27594 1 4 '3D HNCO' . . . 27594 1 5 '3D HCACO' . . . 27594 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 12 12 ILE C C 13 176.771 0.002 . 1 . . . . . 12 ILE C . 27594 1 2 . 1 1 12 12 ILE CA C 13 61.038 0.000 . 1 . . . . . 12 ILE CA . 27594 1 3 . 1 1 12 12 ILE CB C 13 38.929 0.003 . 1 . . . . . 12 ILE CB . 27594 1 4 . 1 1 13 13 GLU H H 1 9.452 0.001 . 1 . . . . . 13 GLU H . 27594 1 5 . 1 1 13 13 GLU C C 13 178.018 0.005 . 1 . . . . . 13 GLU C . 27594 1 6 . 1 1 13 13 GLU CA C 13 55.535 0.041 . 1 . . . . . 13 GLU CA . 27594 1 7 . 1 1 13 13 GLU CB C 13 28.092 0.013 . 1 . . . . . 13 GLU CB . 27594 1 8 . 1 1 13 13 GLU N N 15 125.466 0.036 . 1 . . . . . 13 GLU N . 27594 1 9 . 1 1 14 14 ALA H H 1 10.026 0.001 . 1 . . . . . 14 ALA H . 27594 1 10 . 1 1 14 14 ALA C C 13 178.775 0.001 . 1 . . . . . 14 ALA C . 27594 1 11 . 1 1 14 14 ALA CA C 13 54.724 0.025 . 1 . . . . . 14 ALA CA . 27594 1 12 . 1 1 14 14 ALA CB C 13 17.353 0.022 . 1 . . . . . 14 ALA CB . 27594 1 13 . 1 1 14 14 ALA N N 15 124.203 0.039 . 1 . . . . . 14 ALA N . 27594 1 14 . 1 1 15 15 ASN H H 1 8.131 0.001 . 1 . . . . . 15 ASN H . 27594 1 15 . 1 1 15 15 ASN C C 13 174.901 0.022 . 1 . . . . . 15 ASN C . 27594 1 16 . 1 1 15 15 ASN CA C 13 52.007 0.016 . 1 . . . . . 15 ASN CA . 27594 1 17 . 1 1 15 15 ASN CB C 13 37.000 0.052 . 1 . . . . . 15 ASN CB . 27594 1 18 . 1 1 15 15 ASN N N 15 111.281 0.028 . 1 . . . . . 15 ASN N . 27594 1 19 . 1 1 16 16 GLU H H 1 7.603 0.001 . 1 . . . . . 16 GLU H . 27594 1 20 . 1 1 16 16 GLU C C 13 174.941 0.010 . 1 . . . . . 16 GLU C . 27594 1 21 . 1 1 16 16 GLU CA C 13 54.599 0.040 . 1 . . . . . 16 GLU CA . 27594 1 22 . 1 1 16 16 GLU CB C 13 31.804 0.037 . 1 . . . . . 16 GLU CB . 27594 1 23 . 1 1 16 16 GLU N N 15 120.467 0.032 . 1 . . . . . 16 GLU N . 27594 1 24 . 1 1 17 17 LYS H H 1 8.633 0.001 . 1 . . . . . 17 LYS H . 27594 1 25 . 1 1 17 17 LYS C C 13 175.101 0.038 . 1 . . . . . 17 LYS C . 27594 1 26 . 1 1 17 17 LYS CA C 13 55.972 0.052 . 1 . . . . . 17 LYS CA . 27594 1 27 . 1 1 17 17 LYS CB C 13 33.066 0.003 . 1 . . . . . 17 LYS CB . 27594 1 28 . 1 1 17 17 LYS N N 15 118.928 0.036 . 1 . . . . . 17 LYS N . 27594 1 29 . 1 1 18 18 ALA H H 1 7.585 0.001 . 1 . . . . . 18 ALA H . 27594 1 30 . 1 1 18 18 ALA C C 13 176.372 0.004 . 1 . . . . . 18 ALA C . 27594 1 31 . 1 1 18 18 ALA CA C 13 50.278 0.023 . 1 . . . . . 18 ALA CA . 27594 1 32 . 1 1 18 18 ALA CB C 13 23.091 0.057 . 1 . . . . . 18 ALA CB . 27594 1 33 . 1 1 18 18 ALA N N 15 117.943 0.034 . 1 . . . . . 18 ALA N . 27594 1 34 . 1 1 19 19 THR H H 1 8.396 0.001 . 1 . . . . . 19 THR H . 27594 1 35 . 1 1 19 19 THR C C 13 171.383 0.003 . 1 . . . . . 19 THR C . 27594 1 36 . 1 1 19 19 THR CA C 13 60.046 0.051 . 1 . . . . . 19 THR CA . 27594 1 37 . 1 1 19 19 THR CB C 13 69.727 0.025 . 1 . . . . . 19 THR CB . 27594 1 38 . 1 1 19 19 THR N N 15 112.188 0.037 . 1 . . . . . 19 THR N . 27594 1 39 . 1 1 20 20 ALA H H 1 8.036 0.002 . 1 . . . . . 20 ALA H . 27594 1 40 . 1 1 20 20 ALA C C 13 175.650 0.000 . 1 . . . . . 20 ALA C . 27594 1 41 . 1 1 20 20 ALA CA C 13 50.002 0.000 . 1 . . . . . 20 ALA CA . 27594 1 42 . 1 1 20 20 ALA CB C 13 21.508 0.000 . 1 . . . . . 20 ALA CB . 27594 1 43 . 1 1 20 20 ALA N N 15 124.826 0.022 . 1 . . . . . 20 ALA N . 27594 1 44 . 1 1 21 21 VAL C C 13 180.049 0.000 . 1 . . . . . 21 VAL C . 27594 1 45 . 1 1 21 21 VAL CA C 13 59.354 0.067 . 1 . . . . . 21 VAL CA . 27594 1 46 . 1 1 21 21 VAL CB C 13 29.483 0.002 . 1 . . . . . 21 VAL CB . 27594 1 47 . 1 1 22 22 TRP H H 1 8.858 0.000 . 1 . . . . . 22 TRP H . 27594 1 48 . 1 1 22 22 TRP C C 13 178.375 0.000 . 1 . . . . . 22 TRP C . 27594 1 49 . 1 1 22 22 TRP CA C 13 55.740 0.054 . 1 . . . . . 22 TRP CA . 27594 1 50 . 1 1 22 22 TRP CB C 13 29.769 0.015 . 1 . . . . . 22 TRP CB . 27594 1 51 . 1 1 22 22 TRP N N 15 116.183 0.000 . 1 . . . . . 22 TRP N . 27594 1 52 . 1 1 23 23 LEU H H 1 8.592 0.002 . 1 . . . . . 23 LEU H . 27594 1 53 . 1 1 23 23 LEU CA C 13 51.862 0.000 . 1 . . . . . 23 LEU CA . 27594 1 54 . 1 1 23 23 LEU CB C 13 40.101 0.000 . 1 . . . . . 23 LEU CB . 27594 1 55 . 1 1 23 23 LEU N N 15 129.592 0.000 . 1 . . . . . 23 LEU N . 27594 1 56 . 1 1 24 24 GLN H H 1 8.631 0.001 . 1 . . . . . 24 GLN H . 27594 1 57 . 1 1 24 24 GLN C C 13 175.334 0.022 . 1 . . . . . 24 GLN C . 27594 1 58 . 1 1 24 24 GLN CA C 13 51.436 0.010 . 1 . . . . . 24 GLN CA . 27594 1 59 . 1 1 24 24 GLN CB C 13 30.361 0.070 . 1 . . . . . 24 GLN CB . 27594 1 60 . 1 1 24 24 GLN N N 15 125.956 0.000 . 1 . . . . . 24 GLN N . 27594 1 61 . 1 1 26 26 THR H H 1 8.107 0.052 . 1 . . . . . 26 THR H . 27594 1 62 . 1 1 26 26 THR C C 13 175.872 0.008 . 1 . . . . . 26 THR C . 27594 1 63 . 1 1 26 26 THR CA C 13 60.540 0.018 . 1 . . . . . 26 THR CA . 27594 1 64 . 1 1 26 26 THR CB C 13 67.063 0.043 . 1 . . . . . 26 THR CB . 27594 1 65 . 1 1 26 26 THR N N 15 117.873 0.060 . 1 . . . . . 26 THR N . 27594 1 66 . 1 1 27 27 GLY H H 1 8.121 0.000 . 1 . . . . . 27 GLY H . 27594 1 67 . 1 1 27 27 GLY C C 13 172.976 0.004 . 1 . . . . . 27 GLY C . 27594 1 68 . 1 1 27 27 GLY CA C 13 43.564 0.005 . 1 . . . . . 27 GLY CA . 27594 1 69 . 1 1 27 27 GLY N N 15 110.931 0.000 . 1 . . . . . 27 GLY N . 27594 1 70 . 1 1 28 28 LYS H H 1 8.326 0.001 . 1 . . . . . 28 LYS H . 27594 1 71 . 1 1 28 28 LYS C C 13 176.928 0.016 . 1 . . . . . 28 LYS C . 27594 1 72 . 1 1 28 28 LYS CA C 13 55.250 0.022 . 1 . . . . . 28 LYS CA . 27594 1 73 . 1 1 28 28 LYS CB C 13 32.817 0.036 . 1 . . . . . 28 LYS CB . 27594 1 74 . 1 1 28 28 LYS N N 15 114.694 0.033 . 1 . . . . . 28 LYS N . 27594 1 75 . 1 1 29 29 THR H H 1 7.547 0.006 . 1 . . . . . 29 THR H . 27594 1 76 . 1 1 29 29 THR C C 13 173.490 0.006 . 1 . . . . . 29 THR C . 27594 1 77 . 1 1 29 29 THR CA C 13 58.627 0.058 . 1 . . . . . 29 THR CA . 27594 1 78 . 1 1 29 29 THR CB C 13 70.523 0.038 . 1 . . . . . 29 THR CB . 27594 1 79 . 1 1 29 29 THR N N 15 110.790 0.132 . 1 . . . . . 29 THR N . 27594 1 80 . 1 1 30 30 ASP H H 1 8.694 0.001 . 1 . . . . . 30 ASP H . 27594 1 81 . 1 1 30 30 ASP C C 13 174.439 0.006 . 1 . . . . . 30 ASP C . 27594 1 82 . 1 1 30 30 ASP CA C 13 54.666 0.058 . 1 . . . . . 30 ASP CA . 27594 1 83 . 1 1 30 30 ASP CB C 13 40.584 0.012 . 1 . . . . . 30 ASP CB . 27594 1 84 . 1 1 30 30 ASP N N 15 124.226 0.037 . 1 . . . . . 30 ASP N . 27594 1 85 . 1 1 31 31 ALA H H 1 8.029 0.001 . 1 . . . . . 31 ALA H . 27594 1 86 . 1 1 31 31 ALA C C 13 175.267 0.008 . 1 . . . . . 31 ALA C . 27594 1 87 . 1 1 31 31 ALA CA C 13 50.303 0.017 . 1 . . . . . 31 ALA CA . 27594 1 88 . 1 1 31 31 ALA CB C 13 23.586 0.021 . 1 . . . . . 31 ALA CB . 27594 1 89 . 1 1 31 31 ALA N N 15 122.218 0.036 . 1 . . . . . 31 ALA N . 27594 1 90 . 1 1 32 32 MET H H 1 9.045 0.001 . 1 . . . . . 32 MET H . 27594 1 91 . 1 1 32 32 MET C C 13 174.604 0.000 . 1 . . . . . 32 MET C . 27594 1 92 . 1 1 32 32 MET CA C 13 54.175 0.000 . 1 . . . . . 32 MET CA . 27594 1 93 . 1 1 32 32 MET CB C 13 34.494 0.000 . 1 . . . . . 32 MET CB . 27594 1 94 . 1 1 32 32 MET N N 15 122.756 0.035 . 1 . . . . . 32 MET N . 27594 1 95 . 1 1 40 40 TRP C C 13 173.561 0.012 . 1 . . . . . 40 TRP C . 27594 1 96 . 1 1 40 40 TRP CA C 13 52.815 0.048 . 1 . . . . . 40 TRP CA . 27594 1 97 . 1 1 40 40 TRP CB C 13 32.433 0.032 . 1 . . . . . 40 TRP CB . 27594 1 98 . 1 1 41 41 ASN H H 1 9.055 0.001 . 1 . . . . . 41 ASN H . 27594 1 99 . 1 1 41 41 ASN C C 13 173.022 0.001 . 1 . . . . . 41 ASN C . 27594 1 100 . 1 1 41 41 ASN CA C 13 51.604 0.030 . 1 . . . . . 41 ASN CA . 27594 1 101 . 1 1 41 41 ASN CB C 13 41.339 0.019 . 1 . . . . . 41 ASN CB . 27594 1 102 . 1 1 41 41 ASN N N 15 125.372 0.000 . 1 . . . . . 41 ASN N . 27594 1 103 . 1 1 42 42 GLN H H 1 8.856 0.001 . 1 . . . . . 42 GLN H . 27594 1 104 . 1 1 42 42 GLN C C 13 177.271 0.011 . 1 . . . . . 42 GLN C . 27594 1 105 . 1 1 42 42 GLN CA C 13 54.108 0.042 . 1 . . . . . 42 GLN CA . 27594 1 106 . 1 1 42 42 GLN CB C 13 27.501 0.030 . 1 . . . . . 42 GLN CB . 27594 1 107 . 1 1 42 42 GLN N N 15 120.548 0.023 . 1 . . . . . 42 GLN N . 27594 1 108 . 1 1 43 43 ASP H H 1 8.433 0.001 . 1 . . . . . 43 ASP H . 27594 1 109 . 1 1 43 43 ASP C C 13 177.449 0.006 . 1 . . . . . 43 ASP C . 27594 1 110 . 1 1 43 43 ASP CA C 13 55.288 0.034 . 1 . . . . . 43 ASP CA . 27594 1 111 . 1 1 43 43 ASP CB C 13 39.806 0.011 . 1 . . . . . 43 ASP CB . 27594 1 112 . 1 1 43 43 ASP N N 15 123.067 0.032 . 1 . . . . . 43 ASP N . 27594 1 113 . 1 1 44 44 GLY H H 1 8.861 0.001 . 1 . . . . . 44 GLY H . 27594 1 114 . 1 1 44 44 GLY C C 13 174.697 0.000 . 1 . . . . . 44 GLY C . 27594 1 115 . 1 1 44 44 GLY CA C 13 46.016 0.000 . 1 . . . . . 44 GLY CA . 27594 1 116 . 1 1 44 44 GLY N N 15 110.646 0.031 . 1 . . . . . 44 GLY N . 27594 1 117 . 1 1 46 46 LYS C C 13 173.513 0.003 . 1 . . . . . 46 LYS C . 27594 1 118 . 1 1 46 46 LYS CA C 13 54.291 0.030 . 1 . . . . . 46 LYS CA . 27594 1 119 . 1 1 46 46 LYS CB C 13 34.159 0.037 . 1 . . . . . 46 LYS CB . 27594 1 120 . 1 1 47 47 ASP H H 1 7.961 0.001 . 1 . . . . . 47 ASP H . 27594 1 121 . 1 1 47 47 ASP C C 13 175.329 0.005 . 1 . . . . . 47 ASP C . 27594 1 122 . 1 1 47 47 ASP CA C 13 55.310 0.021 . 1 . . . . . 47 ASP CA . 27594 1 123 . 1 1 47 47 ASP CB C 13 42.292 0.023 . 1 . . . . . 47 ASP CB . 27594 1 124 . 1 1 47 47 ASP N N 15 117.380 0.030 . 1 . . . . . 47 ASP N . 27594 1 125 . 1 1 48 48 ASN H H 1 9.072 0.001 . 1 . . . . . 48 ASN H . 27594 1 126 . 1 1 48 48 ASN C C 13 173.236 0.005 . 1 . . . . . 48 ASN C . 27594 1 127 . 1 1 48 48 ASN CA C 13 52.165 0.022 . 1 . . . . . 48 ASN CA . 27594 1 128 . 1 1 48 48 ASN CB C 13 41.572 0.013 . 1 . . . . . 48 ASN CB . 27594 1 129 . 1 1 48 48 ASN N N 15 120.714 0.034 . 1 . . . . . 48 ASN N . 27594 1 130 . 1 1 49 49 TYR H H 1 8.427 0.002 . 1 . . . . . 49 TYR H . 27594 1 131 . 1 1 49 49 TYR C C 13 175.998 0.009 . 1 . . . . . 49 TYR C . 27594 1 132 . 1 1 49 49 TYR CA C 13 53.791 0.006 . 1 . . . . . 49 TYR CA . 27594 1 133 . 1 1 49 49 TYR CB C 13 39.051 0.003 . 1 . . . . . 49 TYR CB . 27594 1 134 . 1 1 49 49 TYR N N 15 122.205 0.041 . 1 . . . . . 49 TYR N . 27594 1 135 . 1 1 50 50 SER H H 1 9.005 0.003 . 1 . . . . . 50 SER H . 27594 1 136 . 1 1 50 50 SER C C 13 174.080 0.010 . 1 . . . . . 50 SER C . 27594 1 137 . 1 1 50 50 SER CA C 13 56.520 0.030 . 1 . . . . . 50 SER CA . 27594 1 138 . 1 1 50 50 SER CB C 13 65.766 0.044 . 1 . . . . . 50 SER CB . 27594 1 139 . 1 1 50 50 SER N N 15 116.273 0.016 . 1 . . . . . 50 SER N . 27594 1 140 . 1 1 51 51 GLU H H 1 8.904 0.001 . 1 . . . . . 51 GLU H . 27594 1 141 . 1 1 51 51 GLU C C 13 176.225 0.009 . 1 . . . . . 51 GLU C . 27594 1 142 . 1 1 51 51 GLU CA C 13 57.030 0.001 . 1 . . . . . 51 GLU CA . 27594 1 143 . 1 1 51 51 GLU CB C 13 28.993 0.014 . 1 . . . . . 51 GLU CB . 27594 1 144 . 1 1 51 51 GLU N N 15 124.667 0.045 . 1 . . . . . 51 GLU N . 27594 1 145 . 1 1 52 52 GLN H H 1 9.138 0.001 . 1 . . . . . 52 GLN H . 27594 1 146 . 1 1 52 52 GLN C C 13 174.280 0.004 . 1 . . . . . 52 GLN C . 27594 1 147 . 1 1 52 52 GLN CA C 13 54.118 0.014 . 1 . . . . . 52 GLN CA . 27594 1 148 . 1 1 52 52 GLN CB C 13 28.727 0.002 . 1 . . . . . 52 GLN CB . 27594 1 149 . 1 1 52 52 GLN N N 15 117.628 0.031 . 1 . . . . . 52 GLN N . 27594 1 150 . 1 1 53 53 SER H H 1 8.981 0.001 . 1 . . . . . 53 SER H . 27594 1 151 . 1 1 53 53 SER C C 13 173.493 0.018 . 1 . . . . . 53 SER C . 27594 1 152 . 1 1 53 53 SER CA C 13 56.577 0.028 . 1 . . . . . 53 SER CA . 27594 1 153 . 1 1 53 53 SER CB C 13 63.314 0.053 . 1 . . . . . 53 SER CB . 27594 1 154 . 1 1 53 53 SER N N 15 114.992 0.039 . 1 . . . . . 53 SER N . 27594 1 155 . 1 1 54 54 GLU H H 1 8.014 0.001 . 1 . . . . . 54 GLU H . 27594 1 156 . 1 1 54 54 GLU C C 13 176.070 0.005 . 1 . . . . . 54 GLU C . 27594 1 157 . 1 1 54 54 GLU CA C 13 58.236 0.051 . 1 . . . . . 54 GLU CA . 27594 1 158 . 1 1 54 54 GLU CB C 13 29.251 0.040 . 1 . . . . . 54 GLU CB . 27594 1 159 . 1 1 54 54 GLU N N 15 123.058 0.023 . 1 . . . . . 54 GLU N . 27594 1 160 . 1 1 55 55 ILE H H 1 9.234 0.001 . 1 . . . . . 55 ILE H . 27594 1 161 . 1 1 55 55 ILE C C 13 175.709 0.005 . 1 . . . . . 55 ILE C . 27594 1 162 . 1 1 55 55 ILE CA C 13 57.476 0.021 . 1 . . . . . 55 ILE CA . 27594 1 163 . 1 1 55 55 ILE CB C 13 36.746 0.017 . 1 . . . . . 55 ILE CB . 27594 1 164 . 1 1 55 55 ILE N N 15 119.350 0.020 . 1 . . . . . 55 ILE N . 27594 1 165 . 1 1 56 56 ILE H H 1 8.943 0.001 . 1 . . . . . 56 ILE H . 27594 1 166 . 1 1 56 56 ILE C C 13 175.569 0.000 . 1 . . . . . 56 ILE C . 27594 1 167 . 1 1 56 56 ILE CA C 13 56.087 0.000 . 1 . . . . . 56 ILE CA . 27594 1 168 . 1 1 56 56 ILE CB C 13 39.101 0.000 . 1 . . . . . 56 ILE CB . 27594 1 169 . 1 1 56 56 ILE N N 15 128.760 0.025 . 1 . . . . . 56 ILE N . 27594 1 170 . 1 1 60 60 PRO C C 13 176.096 0.009 . 1 . . . . . 60 PRO C . 27594 1 171 . 1 1 60 60 PRO CA C 13 63.399 0.036 . 1 . . . . . 60 PRO CA . 27594 1 172 . 1 1 60 60 PRO CB C 13 30.837 0.021 . 1 . . . . . 60 PRO CB . 27594 1 173 . 1 1 61 61 VAL H H 1 6.882 0.002 . 1 . . . . . 61 VAL H . 27594 1 174 . 1 1 61 61 VAL C C 13 174.338 0.005 . 1 . . . . . 61 VAL C . 27594 1 175 . 1 1 61 61 VAL CA C 13 59.420 0.079 . 1 . . . . . 61 VAL CA . 27594 1 176 . 1 1 61 61 VAL CB C 13 34.718 0.023 . 1 . . . . . 61 VAL CB . 27594 1 177 . 1 1 61 61 VAL N N 15 115.666 0.042 . 1 . . . . . 61 VAL N . 27594 1 178 . 1 1 62 62 ALA H H 1 8.640 0.001 . 1 . . . . . 62 ALA H . 27594 1 179 . 1 1 62 62 ALA C C 13 174.516 0.008 . 1 . . . . . 62 ALA C . 27594 1 180 . 1 1 62 62 ALA CA C 13 51.213 0.034 . 1 . . . . . 62 ALA CA . 27594 1 181 . 1 1 62 62 ALA CB C 13 20.232 0.015 . 1 . . . . . 62 ALA CB . 27594 1 182 . 1 1 62 62 ALA N N 15 125.479 0.032 . 1 . . . . . 62 ALA N . 27594 1 183 . 1 1 63 63 LYS H H 1 8.457 0.001 . 1 . . . . . 63 LYS H . 27594 1 184 . 1 1 63 63 LYS C C 13 175.319 0.045 . 1 . . . . . 63 LYS C . 27594 1 185 . 1 1 63 63 LYS CA C 13 55.354 0.016 . 1 . . . . . 63 LYS CA . 27594 1 186 . 1 1 63 63 LYS CB C 13 31.947 0.046 . 1 . . . . . 63 LYS CB . 27594 1 187 . 1 1 63 63 LYS N N 15 123.778 0.032 . 1 . . . . . 63 LYS N . 27594 1 188 . 1 1 64 64 ILE H H 1 9.005 0.004 . 1 . . . . . 64 ILE H . 27594 1 189 . 1 1 64 64 ILE C C 13 176.532 0.006 . 1 . . . . . 64 ILE C . 27594 1 190 . 1 1 64 64 ILE CA C 13 60.130 0.028 . 1 . . . . . 64 ILE CA . 27594 1 191 . 1 1 64 64 ILE CB C 13 37.902 0.072 . 1 . . . . . 64 ILE CB . 27594 1 192 . 1 1 64 64 ILE N N 15 127.161 0.028 . 1 . . . . . 64 ILE N . 27594 1 193 . 1 1 65 65 LYS H H 1 9.010 0.001 . 1 . . . . . 65 LYS H . 27594 1 194 . 1 1 65 65 LYS C C 13 176.147 0.000 . 1 . . . . . 65 LYS C . 27594 1 195 . 1 1 65 65 LYS CA C 13 56.571 0.000 . 1 . . . . . 65 LYS CA . 27594 1 196 . 1 1 65 65 LYS CB C 13 31.938 0.000 . 1 . . . . . 65 LYS CB . 27594 1 197 . 1 1 65 65 LYS N N 15 130.329 0.026 . 1 . . . . . 65 LYS N . 27594 1 198 . 1 1 66 66 ALA C C 13 178.356 0.000 . 1 . . . . . 66 ALA C . 27594 1 199 . 1 1 66 66 ALA CA C 13 54.095 0.023 . 1 . . . . . 66 ALA CA . 27594 1 200 . 1 1 66 66 ALA CB C 13 17.086 0.001 . 1 . . . . . 66 ALA CB . 27594 1 201 . 1 1 67 67 GLY H H 1 8.041 0.000 . 1 . . . . . 67 GLY H . 27594 1 202 . 1 1 67 67 GLY C C 13 174.823 0.000 . 1 . . . . . 67 GLY C . 27594 1 203 . 1 1 67 67 GLY CA C 13 45.857 0.024 . 1 . . . . . 67 GLY CA . 27594 1 204 . 1 1 67 67 GLY N N 15 114.342 0.000 . 1 . . . . . 67 GLY N . 27594 1 205 . 1 1 68 68 GLU H H 1 8.345 0.000 . 1 . . . . . 68 GLU H . 27594 1 206 . 1 1 68 68 GLU C C 13 178.509 0.002 . 1 . . . . . 68 GLU C . 27594 1 207 . 1 1 68 68 GLU CA C 13 56.005 0.067 . 1 . . . . . 68 GLU CA . 27594 1 208 . 1 1 68 68 GLU CB C 13 30.692 0.024 . 1 . . . . . 68 GLU CB . 27594 1 209 . 1 1 68 68 GLU N N 15 121.242 0.000 . 1 . . . . . 68 GLU N . 27594 1 210 . 1 1 69 69 LYS H H 1 8.544 0.001 . 1 . . . . . 69 LYS H . 27594 1 211 . 1 1 69 69 LYS C C 13 175.864 0.000 . 1 . . . . . 69 LYS C . 27594 1 212 . 1 1 69 69 LYS CA C 13 54.486 0.000 . 1 . . . . . 69 LYS CA . 27594 1 213 . 1 1 69 69 LYS CB C 13 34.700 0.000 . 1 . . . . . 69 LYS CB . 27594 1 214 . 1 1 69 69 LYS N N 15 119.621 0.077 . 1 . . . . . 69 LYS N . 27594 1 215 . 1 1 73 73 ARG C C 13 173.819 0.001 . 1 . . . . . 73 ARG C . 27594 1 216 . 1 1 73 73 ARG CA C 13 60.504 0.024 . 1 . . . . . 73 ARG CA . 27594 1 217 . 1 1 73 73 ARG CB C 13 31.780 0.029 . 1 . . . . . 73 ARG CB . 27594 1 218 . 1 1 74 74 LEU H H 1 9.352 0.001 . 1 . . . . . 74 LEU H . 27594 1 219 . 1 1 74 74 LEU C C 13 174.571 0.079 . 1 . . . . . 74 LEU C . 27594 1 220 . 1 1 74 74 LEU CA C 13 52.283 0.021 . 1 . . . . . 74 LEU CA . 27594 1 221 . 1 1 74 74 LEU CB C 13 40.780 0.041 . 1 . . . . . 74 LEU CB . 27594 1 222 . 1 1 74 74 LEU N N 15 125.267 0.043 . 1 . . . . . 74 LEU N . 27594 1 223 . 1 1 75 75 THR H H 1 7.885 0.001 . 1 . . . . . 75 THR H . 27594 1 224 . 1 1 75 75 THR C C 13 174.194 0.021 . 1 . . . . . 75 THR C . 27594 1 225 . 1 1 75 75 THR CA C 13 61.867 0.095 . 1 . . . . . 75 THR CA . 27594 1 226 . 1 1 75 75 THR CB C 13 69.740 0.011 . 1 . . . . . 75 THR CB . 27594 1 227 . 1 1 75 75 THR N N 15 118.234 0.032 . 1 . . . . . 75 THR N . 27594 1 228 . 1 1 76 76 LYS H H 1 8.624 0.001 . 1 . . . . . 76 LYS H . 27594 1 229 . 1 1 76 76 LYS C C 13 176.269 0.013 . 1 . . . . . 76 LYS C . 27594 1 230 . 1 1 76 76 LYS CA C 13 55.929 0.054 . 1 . . . . . 76 LYS CA . 27594 1 231 . 1 1 76 76 LYS CB C 13 31.672 0.000 . 1 . . . . . 76 LYS CB . 27594 1 232 . 1 1 76 76 LYS N N 15 127.810 0.022 . 1 . . . . . 76 LYS N . 27594 1 233 . 1 1 77 77 SER H H 1 9.320 0.001 . 1 . . . . . 77 SER H . 27594 1 234 . 1 1 77 77 SER C C 13 173.657 0.000 . 1 . . . . . 77 SER C . 27594 1 235 . 1 1 77 77 SER CA C 13 58.358 0.000 . 1 . . . . . 77 SER CA . 27594 1 236 . 1 1 77 77 SER CB C 13 64.203 0.000 . 1 . . . . . 77 SER CB . 27594 1 237 . 1 1 77 77 SER N N 15 122.409 0.042 . 1 . . . . . 77 SER N . 27594 1 238 . 1 1 78 78 VAL H H 1 6.753 0.001 . 1 . . . . . 78 VAL H . 27594 1 239 . 1 1 78 78 VAL C C 13 174.082 0.000 . 1 . . . . . 78 VAL C . 27594 1 240 . 1 1 78 78 VAL CA C 13 58.610 0.036 . 1 . . . . . 78 VAL CA . 27594 1 241 . 1 1 78 78 VAL CB C 13 34.790 0.065 . 1 . . . . . 78 VAL CB . 27594 1 242 . 1 1 78 78 VAL N N 15 107.850 0.000 . 1 . . . . . 78 VAL N . 27594 1 243 . 1 1 79 79 ASN H H 1 8.224 0.001 . 1 . . . . . 79 ASN H . 27594 1 244 . 1 1 79 79 ASN C C 13 175.114 0.000 . 1 . . . . . 79 ASN C . 27594 1 245 . 1 1 79 79 ASN CA C 13 52.775 0.036 . 1 . . . . . 79 ASN CA . 27594 1 246 . 1 1 79 79 ASN CB C 13 37.999 0.021 . 1 . . . . . 79 ASN CB . 27594 1 247 . 1 1 79 79 ASN N N 15 118.371 0.034 . 1 . . . . . 79 ASN N . 27594 1 248 . 1 1 80 80 LEU H H 1 8.413 0.001 . 1 . . . . . 80 LEU H . 27594 1 249 . 1 1 80 80 LEU C C 13 174.712 0.000 . 1 . . . . . 80 LEU C . 27594 1 250 . 1 1 80 80 LEU CB C 13 39.233 0.000 . 1 . . . . . 80 LEU CB . 27594 1 251 . 1 1 80 80 LEU N N 15 125.486 0.033 . 1 . . . . . 80 LEU N . 27594 1 252 . 1 1 81 81 PRO C C 13 176.724 0.000 . 1 . . . . . 81 PRO C . 27594 1 253 . 1 1 81 81 PRO CA C 13 62.941 0.000 . 1 . . . . . 81 PRO CA . 27594 1 254 . 1 1 81 81 PRO CB C 13 31.273 0.046 . 1 . . . . . 81 PRO CB . 27594 1 255 . 1 1 82 82 ASP H H 1 8.624 0.001 . 1 . . . . . 82 ASP H . 27594 1 256 . 1 1 82 82 ASP C C 13 178.220 0.002 . 1 . . . . . 82 ASP C . 27594 1 257 . 1 1 82 82 ASP CA C 13 55.339 0.022 . 1 . . . . . 82 ASP CA . 27594 1 258 . 1 1 82 82 ASP CB C 13 39.364 0.028 . 1 . . . . . 82 ASP CB . 27594 1 259 . 1 1 82 82 ASP N N 15 123.419 0.038 . 1 . . . . . 82 ASP N . 27594 1 260 . 1 1 83 83 GLY H H 1 8.932 0.001 . 1 . . . . . 83 GLY H . 27594 1 261 . 1 1 83 83 GLY C C 13 173.130 0.003 . 1 . . . . . 83 GLY C . 27594 1 262 . 1 1 83 83 GLY CA C 13 46.265 0.018 . 1 . . . . . 83 GLY CA . 27594 1 263 . 1 1 83 83 GLY N N 15 108.011 0.033 . 1 . . . . . 83 GLY N . 27594 1 264 . 1 1 84 84 LYS H H 1 6.709 0.002 . 1 . . . . . 84 LYS H . 27594 1 265 . 1 1 84 84 LYS C C 13 175.391 0.006 . 1 . . . . . 84 LYS C . 27594 1 266 . 1 1 84 84 LYS CA C 13 53.747 0.031 . 1 . . . . . 84 LYS CA . 27594 1 267 . 1 1 84 84 LYS CB C 13 34.591 0.041 . 1 . . . . . 84 LYS CB . 27594 1 268 . 1 1 84 84 LYS N N 15 115.599 0.027 . 1 . . . . . 84 LYS N . 27594 1 269 . 1 1 85 85 GLU H H 1 9.335 0.001 . 1 . . . . . 85 GLU H . 27594 1 270 . 1 1 85 85 GLU C C 13 174.657 0.000 . 1 . . . . . 85 GLU C . 27594 1 271 . 1 1 85 85 GLU CA C 13 54.865 0.000 . 1 . . . . . 85 GLU CA . 27594 1 272 . 1 1 85 85 GLU CB C 13 32.798 0.000 . 1 . . . . . 85 GLU CB . 27594 1 273 . 1 1 85 85 GLU N N 15 127.251 0.029 . 1 . . . . . 85 GLU N . 27594 1 274 . 1 1 96 96 PRO C C 13 176.946 0.002 . 1 . . . . . 96 PRO C . 27594 1 275 . 1 1 96 96 PRO CA C 13 62.600 0.000 . 1 . . . . . 96 PRO CA . 27594 1 276 . 1 1 96 96 PRO CB C 13 31.224 0.025 . 1 . . . . . 96 PRO CB . 27594 1 277 . 1 1 97 97 ILE H H 1 8.301 0.002 . 1 . . . . . 97 ILE H . 27594 1 278 . 1 1 97 97 ILE C C 13 175.917 0.015 . 1 . . . . . 97 ILE C . 27594 1 279 . 1 1 97 97 ILE CA C 13 60.689 0.075 . 1 . . . . . 97 ILE CA . 27594 1 280 . 1 1 97 97 ILE CB C 13 37.964 0.015 . 1 . . . . . 97 ILE CB . 27594 1 281 . 1 1 97 97 ILE N N 15 122.372 0.026 . 1 . . . . . 97 ILE N . 27594 1 282 . 1 1 98 98 ARG H H 1 8.254 0.037 . 1 . . . . . 98 ARG H . 27594 1 283 . 1 1 98 98 ARG C C 13 175.598 0.007 . 1 . . . . . 98 ARG C . 27594 1 284 . 1 1 98 98 ARG CA C 13 55.316 0.119 . 1 . . . . . 98 ARG CA . 27594 1 285 . 1 1 98 98 ARG CB C 13 29.714 0.066 . 1 . . . . . 98 ARG CB . 27594 1 286 . 1 1 98 98 ARG N N 15 125.157 0.150 . 1 . . . . . 98 ARG N . 27594 1 287 . 1 1 99 99 LEU H H 1 8.317 0.010 . 1 . . . . . 99 LEU H . 27594 1 288 . 1 1 99 99 LEU C C 13 177.143 0.022 . 1 . . . . . 99 LEU C . 27594 1 289 . 1 1 99 99 LEU CA C 13 54.269 0.027 . 1 . . . . . 99 LEU CA . 27594 1 290 . 1 1 99 99 LEU CB C 13 41.887 0.029 . 1 . . . . . 99 LEU CB . 27594 1 291 . 1 1 99 99 LEU N N 15 125.580 0.116 . 1 . . . . . 99 LEU N . 27594 1 292 . 1 1 100 100 SER H H 1 8.267 0.002 . 1 . . . . . 100 SER H . 27594 1 293 . 1 1 100 100 SER C C 13 174.131 0.007 . 1 . . . . . 100 SER C . 27594 1 294 . 1 1 100 100 SER CA C 13 57.661 0.019 . 1 . . . . . 100 SER CA . 27594 1 295 . 1 1 100 100 SER CB C 13 63.275 0.038 . 1 . . . . . 100 SER CB . 27594 1 296 . 1 1 100 100 SER N N 15 116.813 0.029 . 1 . . . . . 100 SER N . 27594 1 297 . 1 1 101 101 ASP H H 1 8.324 0.001 . 1 . . . . . 101 ASP H . 27594 1 298 . 1 1 101 101 ASP C C 13 176.530 0.004 . 1 . . . . . 101 ASP C . 27594 1 299 . 1 1 101 101 ASP CA C 13 53.795 0.056 . 1 . . . . . 101 ASP CA . 27594 1 300 . 1 1 101 101 ASP CB C 13 41.001 0.023 . 1 . . . . . 101 ASP CB . 27594 1 301 . 1 1 101 101 ASP N N 15 123.487 0.043 . 1 . . . . . 101 ASP N . 27594 1 302 . 1 1 102 102 GLY H H 1 8.298 0.001 . 1 . . . . . 102 GLY H . 27594 1 303 . 1 1 102 102 GLY C C 13 173.832 0.004 . 1 . . . . . 102 GLY C . 27594 1 304 . 1 1 102 102 GLY CA C 13 45.000 0.021 . 1 . . . . . 102 GLY CA . 27594 1 305 . 1 1 102 102 GLY N N 15 109.429 0.042 . 1 . . . . . 102 GLY N . 27594 1 306 . 1 1 103 103 ASN H H 1 8.343 0.002 . 1 . . . . . 103 ASN H . 27594 1 307 . 1 1 103 103 ASN C C 13 175.078 0.005 . 1 . . . . . 103 ASN C . 27594 1 308 . 1 1 103 103 ASN CA C 13 52.878 0.025 . 1 . . . . . 103 ASN CA . 27594 1 309 . 1 1 103 103 ASN CB C 13 38.732 0.048 . 1 . . . . . 103 ASN CB . 27594 1 310 . 1 1 103 103 ASN N N 15 119.109 0.029 . 1 . . . . . 103 ASN N . 27594 1 311 . 1 1 104 104 GLU H H 1 8.456 0.001 . 1 . . . . . 104 GLU H . 27594 1 312 . 1 1 104 104 GLU C C 13 176.070 0.004 . 1 . . . . . 104 GLU C . 27594 1 313 . 1 1 104 104 GLU CA C 13 56.180 0.058 . 1 . . . . . 104 GLU CA . 27594 1 314 . 1 1 104 104 GLU CB C 13 29.543 0.013 . 1 . . . . . 104 GLU CB . 27594 1 315 . 1 1 104 104 GLU N N 15 121.738 0.033 . 1 . . . . . 104 GLU N . 27594 1 316 . 1 1 105 105 GLN H H 1 8.286 0.002 . 1 . . . . . 105 GLN H . 27594 1 317 . 1 1 105 105 GLN C C 13 175.255 0.005 . 1 . . . . . 105 GLN C . 27594 1 318 . 1 1 105 105 GLN CA C 13 55.609 0.038 . 1 . . . . . 105 GLN CA . 27594 1 319 . 1 1 105 105 GLN CB C 13 29.141 0.066 . 1 . . . . . 105 GLN CB . 27594 1 320 . 1 1 105 105 GLN N N 15 121.011 0.024 . 1 . . . . . 105 GLN N . 27594 1 321 . 1 1 106 106 ASP H H 1 8.243 0.001 . 1 . . . . . 106 ASP H . 27594 1 322 . 1 1 106 106 ASP C C 13 174.482 0.007 . 1 . . . . . 106 ASP C . 27594 1 323 . 1 1 106 106 ASP CA C 13 54.053 0.062 . 1 . . . . . 106 ASP CA . 27594 1 324 . 1 1 106 106 ASP CB C 13 39.883 0.019 . 1 . . . . . 106 ASP CB . 27594 1 325 . 1 1 106 106 ASP N N 15 120.826 0.036 . 1 . . . . . 106 ASP N . 27594 1 326 . 1 1 107 107 ALA H H 1 8.367 0.007 . 1 . . . . . 107 ALA H . 27594 1 327 . 1 1 107 107 ALA C C 13 176.902 0.000 . 1 . . . . . 107 ALA C . 27594 1 328 . 1 1 107 107 ALA CA C 13 51.443 0.016 . 1 . . . . . 107 ALA CA . 27594 1 329 . 1 1 107 107 ALA CB C 13 21.297 0.037 . 1 . . . . . 107 ALA CB . 27594 1 330 . 1 1 107 107 ALA N N 15 124.097 0.008 . 1 . . . . . 107 ALA N . 27594 1 331 . 1 1 108 108 SER H H 1 8.165 0.009 . 1 . . . . . 108 SER H . 27594 1 332 . 1 1 108 108 SER C C 13 173.239 0.000 . 1 . . . . . 108 SER C . 27594 1 333 . 1 1 108 108 SER CA C 13 57.026 0.042 . 1 . . . . . 108 SER CA . 27594 1 334 . 1 1 108 108 SER CB C 13 62.548 0.052 . 1 . . . . . 108 SER CB . 27594 1 335 . 1 1 108 108 SER N N 15 118.116 0.149 . 1 . . . . . 108 SER N . 27594 1 336 . 1 1 109 109 LYS H H 1 8.054 0.001 . 1 . . . . . 109 LYS H . 27594 1 337 . 1 1 109 109 LYS C C 13 175.327 0.029 . 1 . . . . . 109 LYS C . 27594 1 338 . 1 1 109 109 LYS CA C 13 54.553 0.037 . 1 . . . . . 109 LYS CA . 27594 1 339 . 1 1 109 109 LYS CB C 13 35.930 0.022 . 1 . . . . . 109 LYS CB . 27594 1 340 . 1 1 109 109 LYS N N 15 122.715 0.032 . 1 . . . . . 109 LYS N . 27594 1 341 . 1 1 110 110 VAL H H 1 8.650 0.002 . 1 . . . . . 110 VAL H . 27594 1 342 . 1 1 110 110 VAL CA C 13 60.196 0.025 . 1 . . . . . 110 VAL CA . 27594 1 343 . 1 1 110 110 VAL CB C 13 32.477 0.063 . 1 . . . . . 110 VAL CB . 27594 1 344 . 1 1 110 110 VAL N N 15 124.954 0.033 . 1 . . . . . 110 VAL N . 27594 1 345 . 1 1 111 111 SER H H 1 8.329 0.000 . 1 . . . . . 111 SER H . 27594 1 346 . 1 1 111 111 SER CA C 13 56.983 0.000 . 1 . . . . . 111 SER CA . 27594 1 347 . 1 1 111 111 SER CB C 13 64.197 0.000 . 1 . . . . . 111 SER CB . 27594 1 348 . 1 1 111 111 SER N N 15 122.243 0.000 . 1 . . . . . 111 SER N . 27594 1 349 . 1 1 112 112 PHE C C 13 175.098 0.000 . 1 . . . . . 112 PHE C . 27594 1 350 . 1 1 112 112 PHE CA C 13 55.633 0.033 . 1 . . . . . 112 PHE CA . 27594 1 351 . 1 1 112 112 PHE CB C 13 40.492 0.056 . 1 . . . . . 112 PHE CB . 27594 1 352 . 1 1 113 113 GLN H H 1 9.231 0.001 . 1 . . . . . 113 GLN H . 27594 1 353 . 1 1 113 113 GLN C C 13 173.653 0.006 . 1 . . . . . 113 GLN C . 27594 1 354 . 1 1 113 113 GLN CA C 13 53.746 0.050 . 1 . . . . . 113 GLN CA . 27594 1 355 . 1 1 113 113 GLN CB C 13 30.433 0.018 . 1 . . . . . 113 GLN CB . 27594 1 356 . 1 1 113 113 GLN N N 15 125.838 0.022 . 1 . . . . . 113 GLN N . 27594 1 357 . 1 1 114 114 MET H H 1 8.742 0.001 . 1 . . . . . 114 MET H . 27594 1 358 . 1 1 114 114 MET C C 13 175.821 0.011 . 1 . . . . . 114 MET C . 27594 1 359 . 1 1 114 114 MET CA C 13 53.023 0.024 . 1 . . . . . 114 MET CA . 27594 1 360 . 1 1 114 114 MET CB C 13 31.090 0.009 . 1 . . . . . 114 MET CB . 27594 1 361 . 1 1 114 114 MET N N 15 122.269 0.037 . 1 . . . . . 114 MET N . 27594 1 362 . 1 1 115 115 ARG H H 1 8.565 0.001 . 1 . . . . . 115 ARG H . 27594 1 363 . 1 1 115 115 ARG C C 13 173.109 0.015 . 1 . . . . . 115 ARG C . 27594 1 364 . 1 1 115 115 ARG CA C 13 54.065 0.002 . 1 . . . . . 115 ARG CA . 27594 1 365 . 1 1 115 115 ARG CB C 13 32.649 0.051 . 1 . . . . . 115 ARG CB . 27594 1 366 . 1 1 115 115 ARG N N 15 124.484 0.039 . 1 . . . . . 115 ARG N . 27594 1 367 . 1 1 116 116 TYR H H 1 9.026 0.001 . 1 . . . . . 116 TYR H . 27594 1 368 . 1 1 116 116 TYR C C 13 174.500 0.000 . 1 . . . . . 116 TYR C . 27594 1 369 . 1 1 116 116 TYR CA C 13 55.283 0.030 . 1 . . . . . 116 TYR CA . 27594 1 370 . 1 1 116 116 TYR CB C 13 39.169 0.029 . 1 . . . . . 116 TYR CB . 27594 1 371 . 1 1 116 116 TYR N N 15 125.064 0.022 . 1 . . . . . 116 TYR N . 27594 1 372 . 1 1 117 117 SER H H 1 9.145 0.001 . 1 . . . . . 117 SER H . 27594 1 373 . 1 1 117 117 SER C C 13 174.345 0.004 . 1 . . . . . 117 SER C . 27594 1 374 . 1 1 117 117 SER CA C 13 54.952 0.000 . 1 . . . . . 117 SER CA . 27594 1 375 . 1 1 117 117 SER CB C 13 63.565 0.000 . 1 . . . . . 117 SER CB . 27594 1 376 . 1 1 117 117 SER N N 15 117.934 0.000 . 1 . . . . . 117 SER N . 27594 1 377 . 1 1 118 118 ILE H H 1 9.307 0.002 . 1 . . . . . 118 ILE H . 27594 1 378 . 1 1 118 118 ILE C C 13 175.481 0.000 . 1 . . . . . 118 ILE C . 27594 1 379 . 1 1 118 118 ILE CA C 13 54.731 0.000 . 1 . . . . . 118 ILE CA . 27594 1 380 . 1 1 118 118 ILE CB C 13 42.639 0.000 . 1 . . . . . 118 ILE CB . 27594 1 381 . 1 1 118 118 ILE N N 15 124.801 0.051 . 1 . . . . . 118 ILE N . 27594 1 382 . 1 1 122 122 ALA C C 13 175.148 0.004 . 1 . . . . . 122 ALA C . 27594 1 383 . 1 1 122 122 ALA CA C 13 49.332 0.006 . 1 . . . . . 122 ALA CA . 27594 1 384 . 1 1 122 122 ALA CB C 13 22.581 0.009 . 1 . . . . . 122 ALA CB . 27594 1 385 . 1 1 123 123 TYR H H 1 7.535 0.001 . 1 . . . . . 123 TYR H . 27594 1 386 . 1 1 123 123 TYR C C 13 177.264 0.000 . 1 . . . . . 123 TYR C . 27594 1 387 . 1 1 123 123 TYR CA C 13 59.277 0.038 . 1 . . . . . 123 TYR CA . 27594 1 388 . 1 1 123 123 TYR CB C 13 41.595 0.020 . 1 . . . . . 123 TYR CB . 27594 1 389 . 1 1 123 123 TYR N N 15 118.476 0.043 . 1 . . . . . 123 TYR N . 27594 1 390 . 1 1 124 124 GLY H H 1 8.171 0.001 . 1 . . . . . 124 GLY H . 27594 1 391 . 1 1 124 124 GLY C C 13 171.087 0.008 . 1 . . . . . 124 GLY C . 27594 1 392 . 1 1 124 124 GLY CA C 13 42.658 0.010 . 1 . . . . . 124 GLY CA . 27594 1 393 . 1 1 124 124 GLY N N 15 109.960 0.038 . 1 . . . . . 124 GLY N . 27594 1 394 . 1 1 125 125 LYS H H 1 8.536 0.002 . 1 . . . . . 125 LYS H . 27594 1 395 . 1 1 125 125 LYS C C 13 179.436 0.006 . 1 . . . . . 125 LYS C . 27594 1 396 . 1 1 125 125 LYS CA C 13 57.875 0.039 . 1 . . . . . 125 LYS CA . 27594 1 397 . 1 1 125 125 LYS CB C 13 32.387 0.040 . 1 . . . . . 125 LYS CB . 27594 1 398 . 1 1 125 125 LYS N N 15 115.298 0.029 . 1 . . . . . 125 LYS N . 27594 1 399 . 1 1 126 126 GLY H H 1 9.150 0.001 . 1 . . . . . 126 GLY H . 27594 1 400 . 1 1 126 126 GLY C C 13 172.354 0.013 . 1 . . . . . 126 GLY C . 27594 1 401 . 1 1 126 126 GLY CA C 13 44.943 0.029 . 1 . . . . . 126 GLY CA . 27594 1 402 . 1 1 126 126 GLY N N 15 110.958 0.035 . 1 . . . . . 126 GLY N . 27594 1 403 . 1 1 127 127 ILE H H 1 8.135 0.001 . 1 . . . . . 127 ILE H . 27594 1 404 . 1 1 127 127 ILE C C 13 172.345 0.000 . 1 . . . . . 127 ILE C . 27594 1 405 . 1 1 127 127 ILE CA C 13 59.294 0.038 . 1 . . . . . 127 ILE CA . 27594 1 406 . 1 1 127 127 ILE CB C 13 41.383 0.024 . 1 . . . . . 127 ILE CB . 27594 1 407 . 1 1 127 127 ILE N N 15 120.989 0.030 . 1 . . . . . 127 ILE N . 27594 1 408 . 1 1 128 128 GLY H H 1 8.399 0.001 . 1 . . . . . 128 GLY H . 27594 1 409 . 1 1 128 128 GLY C C 13 172.749 0.003 . 1 . . . . . 128 GLY C . 27594 1 410 . 1 1 128 128 GLY CA C 13 44.620 0.043 . 1 . . . . . 128 GLY CA . 27594 1 411 . 1 1 128 128 GLY N N 15 109.665 0.042 . 1 . . . . . 128 GLY N . 27594 1 412 . 1 1 129 129 SER H H 1 8.894 0.001 . 1 . . . . . 129 SER H . 27594 1 413 . 1 1 129 129 SER C C 13 177.753 0.000 . 1 . . . . . 129 SER C . 27594 1 414 . 1 1 129 129 SER CA C 13 60.554 0.072 . 1 . . . . . 129 SER CA . 27594 1 415 . 1 1 129 129 SER CB C 13 62.872 0.066 . 1 . . . . . 129 SER CB . 27594 1 416 . 1 1 129 129 SER N N 15 117.236 0.040 . 1 . . . . . 129 SER N . 27594 1 417 . 1 1 130 130 GLY H H 1 7.795 0.001 . 1 . . . . . 130 GLY H . 27594 1 418 . 1 1 130 130 GLY C C 13 174.052 0.013 . 1 . . . . . 130 GLY C . 27594 1 419 . 1 1 130 130 GLY CA C 13 45.117 0.016 . 1 . . . . . 130 GLY CA . 27594 1 420 . 1 1 130 130 GLY N N 15 108.038 0.018 . 1 . . . . . 130 GLY N . 27594 1 421 . 1 1 131 131 LEU H H 1 8.595 0.001 . 1 . . . . . 131 LEU H . 27594 1 422 . 1 1 131 131 LEU C C 13 175.920 0.005 . 1 . . . . . 131 LEU C . 27594 1 423 . 1 1 131 131 LEU CA C 13 54.456 0.048 . 1 . . . . . 131 LEU CA . 27594 1 424 . 1 1 131 131 LEU CB C 13 40.358 0.026 . 1 . . . . . 131 LEU CB . 27594 1 425 . 1 1 131 131 LEU N N 15 120.272 0.000 . 1 . . . . . 131 LEU N . 27594 1 426 . 1 1 132 132 THR H H 1 6.980 0.001 . 1 . . . . . 132 THR H . 27594 1 427 . 1 1 132 132 THR C C 13 173.837 0.012 . 1 . . . . . 132 THR C . 27594 1 428 . 1 1 132 132 THR CA C 13 57.344 0.079 . 1 . . . . . 132 THR CA . 27594 1 429 . 1 1 132 132 THR CB C 13 71.905 0.044 . 1 . . . . . 132 THR CB . 27594 1 430 . 1 1 132 132 THR N N 15 106.529 0.030 . 1 . . . . . 132 THR N . 27594 1 431 . 1 1 133 133 GLU H H 1 9.229 0.001 . 1 . . . . . 133 GLU H . 27594 1 432 . 1 1 133 133 GLU C C 13 179.131 0.008 . 1 . . . . . 133 GLU C . 27594 1 433 . 1 1 133 133 GLU CA C 13 59.795 0.061 . 1 . . . . . 133 GLU CA . 27594 1 434 . 1 1 133 133 GLU CB C 13 28.421 0.016 . 1 . . . . . 133 GLU CB . 27594 1 435 . 1 1 133 133 GLU N N 15 124.904 0.026 . 1 . . . . . 133 GLU N . 27594 1 436 . 1 1 134 134 GLU H H 1 8.940 0.001 . 1 . . . . . 134 GLU H . 27594 1 437 . 1 1 134 134 GLU C C 13 179.327 0.000 . 1 . . . . . 134 GLU C . 27594 1 438 . 1 1 134 134 GLU CA C 13 59.227 0.000 . 1 . . . . . 134 GLU CA . 27594 1 439 . 1 1 134 134 GLU N N 15 117.523 0.026 . 1 . . . . . 134 GLU N . 27594 1 440 . 1 1 135 135 SER C C 13 173.753 0.013 . 1 . . . . . 135 SER C . 27594 1 441 . 1 1 135 135 SER CA C 13 62.428 0.042 . 1 . . . . . 135 SER CA . 27594 1 442 . 1 1 135 135 SER CB C 13 68.328 0.000 . 1 . . . . . 135 SER CB . 27594 1 443 . 1 1 137 137 LYS H H 1 8.424 0.001 . 1 . . . . . 137 LYS H . 27594 1 444 . 1 1 137 137 LYS C C 13 177.203 0.000 . 1 . . . . . 137 LYS C . 27594 1 445 . 1 1 137 137 LYS CA C 13 59.154 0.076 . 1 . . . . . 137 LYS CA . 27594 1 446 . 1 1 137 137 LYS CB C 13 31.311 0.040 . 1 . . . . . 137 LYS CB . 27594 1 447 . 1 1 137 137 LYS N N 15 120.809 0.049 . 1 . . . . . 137 LYS N . 27594 1 448 . 1 1 138 138 LEU H H 1 7.310 0.001 . 1 . . . . . 138 LEU H . 27594 1 449 . 1 1 138 138 LEU C C 13 179.584 0.007 . 1 . . . . . 138 LEU C . 27594 1 450 . 1 1 138 138 LEU CA C 13 57.104 0.089 . 1 . . . . . 138 LEU CA . 27594 1 451 . 1 1 138 138 LEU CB C 13 41.428 0.035 . 1 . . . . . 138 LEU CB . 27594 1 452 . 1 1 138 138 LEU N N 15 119.251 0.034 . 1 . . . . . 138 LEU N . 27594 1 453 . 1 1 139 139 ASN H H 1 7.978 0.001 . 1 . . . . . 139 ASN H . 27594 1 454 . 1 1 139 139 ASN C C 13 177.911 0.019 . 1 . . . . . 139 ASN C . 27594 1 455 . 1 1 139 139 ASN CA C 13 54.374 0.032 . 1 . . . . . 139 ASN CA . 27594 1 456 . 1 1 139 139 ASN CB C 13 36.471 0.004 . 1 . . . . . 139 ASN CB . 27594 1 457 . 1 1 139 139 ASN N N 15 118.835 0.027 . 1 . . . . . 139 ASN N . 27594 1 458 . 1 1 140 140 ALA H H 1 7.723 0.001 . 1 . . . . . 140 ALA H . 27594 1 459 . 1 1 140 140 ALA C C 13 179.026 0.006 . 1 . . . . . 140 ALA C . 27594 1 460 . 1 1 140 140 ALA CA C 13 54.102 0.034 . 1 . . . . . 140 ALA CA . 27594 1 461 . 1 1 140 140 ALA CB C 13 17.488 0.045 . 1 . . . . . 140 ALA CB . 27594 1 462 . 1 1 140 140 ALA N N 15 121.175 0.037 . 1 . . . . . 140 ALA N . 27594 1 463 . 1 1 141 141 LYS H H 1 7.171 0.002 . 1 . . . . . 141 LYS H . 27594 1 464 . 1 1 141 141 LYS C C 13 175.130 0.009 . 1 . . . . . 141 LYS C . 27594 1 465 . 1 1 141 141 LYS CA C 13 55.501 0.014 . 1 . . . . . 141 LYS CA . 27594 1 466 . 1 1 141 141 LYS CB C 13 31.662 0.020 . 1 . . . . . 141 LYS CB . 27594 1 467 . 1 1 141 141 LYS N N 15 114.370 0.034 . 1 . . . . . 141 LYS N . 27594 1 468 . 1 1 142 142 ASN H H 1 7.608 0.001 . 1 . . . . . 142 ASN H . 27594 1 469 . 1 1 142 142 ASN C C 13 175.253 0.009 . 1 . . . . . 142 ASN C . 27594 1 470 . 1 1 142 142 ASN CA C 13 51.011 0.052 . 1 . . . . . 142 ASN CA . 27594 1 471 . 1 1 142 142 ASN CB C 13 39.104 0.040 . 1 . . . . . 142 ASN CB . 27594 1 472 . 1 1 142 142 ASN N N 15 119.229 0.021 . 1 . . . . . 142 ASN N . 27594 1 473 . 1 1 143 143 ALA H H 1 8.866 0.002 . 1 . . . . . 143 ALA H . 27594 1 474 . 1 1 143 143 ALA C C 13 177.744 0.006 . 1 . . . . . 143 ALA C . 27594 1 475 . 1 1 143 143 ALA CA C 13 54.149 0.052 . 1 . . . . . 143 ALA CA . 27594 1 476 . 1 1 143 143 ALA CB C 13 17.789 0.018 . 1 . . . . . 143 ALA CB . 27594 1 477 . 1 1 143 143 ALA N N 15 127.871 0.028 . 1 . . . . . 143 ALA N . 27594 1 478 . 1 1 144 144 LEU H H 1 7.753 0.001 . 1 . . . . . 144 LEU H . 27594 1 479 . 1 1 144 144 LEU C C 13 176.939 0.006 . 1 . . . . . 144 LEU C . 27594 1 480 . 1 1 144 144 LEU CA C 13 53.086 0.006 . 1 . . . . . 144 LEU CA . 27594 1 481 . 1 1 144 144 LEU CB C 13 41.373 0.039 . 1 . . . . . 144 LEU CB . 27594 1 482 . 1 1 144 144 LEU N N 15 113.403 0.039 . 1 . . . . . 144 LEU N . 27594 1 483 . 1 1 145 145 ALA H H 1 7.544 0.001 . 1 . . . . . 145 ALA H . 27594 1 484 . 1 1 145 145 ALA C C 13 174.408 0.009 . 1 . . . . . 145 ALA C . 27594 1 485 . 1 1 145 145 ALA CA C 13 50.990 0.016 . 1 . . . . . 145 ALA CA . 27594 1 486 . 1 1 145 145 ALA CB C 13 14.837 0.017 . 1 . . . . . 145 ALA CB . 27594 1 487 . 1 1 145 145 ALA N N 15 126.778 0.024 . 1 . . . . . 145 ALA N . 27594 1 488 . 1 1 146 146 LYS H H 1 8.662 0.001 . 1 . . . . . 146 LYS H . 27594 1 489 . 1 1 146 146 LYS C C 13 171.674 0.000 . 1 . . . . . 146 LYS C . 27594 1 490 . 1 1 146 146 LYS CA C 13 54.320 0.000 . 1 . . . . . 146 LYS CA . 27594 1 491 . 1 1 146 146 LYS CB C 13 29.577 0.000 . 1 . . . . . 146 LYS CB . 27594 1 492 . 1 1 146 146 LYS N N 15 118.522 0.029 . 1 . . . . . 146 LYS N . 27594 1 493 . 1 1 152 152 SER CA C 13 58.377 0.000 . 1 . . . . . 152 SER CA . 27594 1 494 . 1 1 152 152 SER CB C 13 65.330 0.008 . 1 . . . . . 152 SER CB . 27594 1 495 . 1 1 153 153 VAL H H 1 8.612 0.000 . 1 . . . . . 153 VAL H . 27594 1 496 . 1 1 153 153 VAL C C 13 175.689 0.006 . 1 . . . . . 153 VAL C . 27594 1 497 . 1 1 153 153 VAL CA C 13 60.391 0.023 . 1 . . . . . 153 VAL CA . 27594 1 498 . 1 1 153 153 VAL CB C 13 33.895 0.022 . 1 . . . . . 153 VAL CB . 27594 1 499 . 1 1 153 153 VAL N N 15 122.823 0.000 . 1 . . . . . 153 VAL N . 27594 1 500 . 1 1 154 154 ARG H H 1 8.944 0.001 . 1 . . . . . 154 ARG H . 27594 1 501 . 1 1 154 154 ARG C C 13 175.427 0.006 . 1 . . . . . 154 ARG C . 27594 1 502 . 1 1 154 154 ARG CA C 13 54.101 0.030 . 1 . . . . . 154 ARG CA . 27594 1 503 . 1 1 154 154 ARG CB C 13 32.868 0.025 . 1 . . . . . 154 ARG CB . 27594 1 504 . 1 1 154 154 ARG N N 15 125.095 0.028 . 1 . . . . . 154 ARG N . 27594 1 505 . 1 1 155 155 ASN H H 1 8.906 0.002 . 1 . . . . . 155 ASN H . 27594 1 506 . 1 1 155 155 ASN C C 13 175.814 0.005 . 1 . . . . . 155 ASN C . 27594 1 507 . 1 1 155 155 ASN CA C 13 51.839 0.015 . 1 . . . . . 155 ASN CA . 27594 1 508 . 1 1 155 155 ASN CB C 13 38.918 0.023 . 1 . . . . . 155 ASN CB . 27594 1 509 . 1 1 155 155 ASN N N 15 123.582 0.017 . 1 . . . . . 155 ASN N . 27594 1 510 . 1 1 156 156 ASN H H 1 8.601 0.001 . 1 . . . . . 156 ASN H . 27594 1 511 . 1 1 156 156 ASN C C 13 177.393 0.005 . 1 . . . . . 156 ASN C . 27594 1 512 . 1 1 156 156 ASN CA C 13 50.841 0.019 . 1 . . . . . 156 ASN CA . 27594 1 513 . 1 1 156 156 ASN CB C 13 38.205 0.077 . 1 . . . . . 156 ASN CB . 27594 1 514 . 1 1 156 156 ASN N N 15 121.001 0.043 . 1 . . . . . 156 ASN N . 27594 1 515 . 1 1 157 157 GLN H H 1 8.612 0.001 . 1 . . . . . 157 GLN H . 27594 1 516 . 1 1 157 157 GLN C C 13 176.745 0.007 . 1 . . . . . 157 GLN C . 27594 1 517 . 1 1 157 157 GLN CA C 13 57.936 0.009 . 1 . . . . . 157 GLN CA . 27594 1 518 . 1 1 157 157 GLN CB C 13 27.501 0.022 . 1 . . . . . 157 GLN CB . 27594 1 519 . 1 1 157 157 GLN N N 15 118.163 0.037 . 1 . . . . . 157 GLN N . 27594 1 520 . 1 1 158 158 GLN H H 1 7.745 0.001 . 1 . . . . . 158 GLN H . 27594 1 521 . 1 1 158 158 GLN C C 13 176.230 0.010 . 1 . . . . . 158 GLN C . 27594 1 522 . 1 1 158 158 GLN CA C 13 55.698 0.028 . 1 . . . . . 158 GLN CA . 27594 1 523 . 1 1 158 158 GLN CB C 13 27.794 0.037 . 1 . . . . . 158 GLN CB . 27594 1 524 . 1 1 158 158 GLN N N 15 117.023 0.028 . 1 . . . . . 158 GLN N . 27594 1 525 . 1 1 159 159 GLY H H 1 8.056 0.001 . 1 . . . . . 159 GLY H . 27594 1 526 . 1 1 159 159 GLY C C 13 173.846 0.005 . 1 . . . . . 159 GLY C . 27594 1 527 . 1 1 159 159 GLY CA C 13 45.092 0.045 . 1 . . . . . 159 GLY CA . 27594 1 528 . 1 1 159 159 GLY N N 15 108.216 0.035 . 1 . . . . . 159 GLY N . 27594 1 529 . 1 1 160 160 GLN H H 1 7.730 0.001 . 1 . . . . . 160 GLN H . 27594 1 530 . 1 1 160 160 GLN C C 13 175.792 0.007 . 1 . . . . . 160 GLN C . 27594 1 531 . 1 1 160 160 GLN CA C 13 54.109 0.032 . 1 . . . . . 160 GLN CA . 27594 1 532 . 1 1 160 160 GLN CB C 13 28.870 0.049 . 1 . . . . . 160 GLN CB . 27594 1 533 . 1 1 160 160 GLN N N 15 120.426 0.034 . 1 . . . . . 160 GLN N . 27594 1 534 . 1 1 161 161 SER H H 1 8.766 0.002 . 1 . . . . . 161 SER H . 27594 1 535 . 1 1 161 161 SER C C 13 173.752 0.001 . 1 . . . . . 161 SER C . 27594 1 536 . 1 1 161 161 SER CA C 13 59.188 0.034 . 1 . . . . . 161 SER CA . 27594 1 537 . 1 1 161 161 SER CB C 13 63.709 0.058 . 1 . . . . . 161 SER CB . 27594 1 538 . 1 1 161 161 SER N N 15 120.767 0.029 . 1 . . . . . 161 SER N . 27594 1 539 . 1 1 162 162 GLU H H 1 8.587 0.001 . 1 . . . . . 162 GLU H . 27594 1 540 . 1 1 162 162 GLU C C 13 173.310 0.028 . 1 . . . . . 162 GLU C . 27594 1 541 . 1 1 162 162 GLU CA C 13 54.532 0.022 . 1 . . . . . 162 GLU CA . 27594 1 542 . 1 1 162 162 GLU CB C 13 33.048 0.039 . 1 . . . . . 162 GLU CB . 27594 1 543 . 1 1 162 162 GLU N N 15 122.230 0.000 . 1 . . . . . 162 GLU N . 27594 1 544 . 1 1 163 163 LEU H H 1 9.115 0.002 . 1 . . . . . 163 LEU H . 27594 1 545 . 1 1 163 163 LEU C C 13 174.248 0.000 . 1 . . . . . 163 LEU C . 27594 1 546 . 1 1 163 163 LEU CA C 13 53.300 0.000 . 1 . . . . . 163 LEU CA . 27594 1 547 . 1 1 163 163 LEU CB C 13 44.384 0.000 . 1 . . . . . 163 LEU CB . 27594 1 548 . 1 1 163 163 LEU N N 15 125.400 0.037 . 1 . . . . . 163 LEU N . 27594 1 549 . 1 1 167 167 ASN C C 13 175.761 0.000 . 1 . . . . . 167 ASN C . 27594 1 550 . 1 1 167 167 ASN CA C 13 50.144 0.060 . 1 . . . . . 167 ASN CA . 27594 1 551 . 1 1 167 167 ASN CB C 13 38.986 0.048 . 1 . . . . . 167 ASN CB . 27594 1 552 . 1 1 168 168 ASN H H 1 9.518 0.001 . 1 . . . . . 168 ASN H . 27594 1 553 . 1 1 168 168 ASN C C 13 176.007 0.012 . 1 . . . . . 168 ASN C . 27594 1 554 . 1 1 168 168 ASN CA C 13 52.495 0.058 . 1 . . . . . 168 ASN CA . 27594 1 555 . 1 1 168 168 ASN CB C 13 38.963 0.015 . 1 . . . . . 168 ASN CB . 27594 1 556 . 1 1 168 168 ASN N N 15 123.989 0.034 . 1 . . . . . 168 ASN N . 27594 1 557 . 1 1 169 169 GLY H H 1 8.818 0.001 . 1 . . . . . 169 GLY H . 27594 1 558 . 1 1 169 169 GLY C C 13 172.931 0.000 . 1 . . . . . 169 GLY C . 27594 1 559 . 1 1 169 169 GLY CA C 13 43.413 0.016 . 1 . . . . . 169 GLY CA . 27594 1 560 . 1 1 169 169 GLY N N 15 110.021 0.024 . 1 . . . . . 169 GLY N . 27594 1 561 . 1 1 170 170 GLN H H 1 8.453 0.000 . 1 . . . . . 170 GLN H . 27594 1 562 . 1 1 170 170 GLN C C 13 175.039 0.004 . 1 . . . . . 170 GLN C . 27594 1 563 . 1 1 170 170 GLN CA C 13 55.196 0.041 . 1 . . . . . 170 GLN CA . 27594 1 564 . 1 1 170 170 GLN CB C 13 27.875 0.022 . 1 . . . . . 170 GLN CB . 27594 1 565 . 1 1 170 170 GLN N N 15 111.848 0.000 . 1 . . . . . 170 GLN N . 27594 1 566 . 1 1 171 171 LYS H H 1 6.708 0.001 . 1 . . . . . 171 LYS H . 27594 1 567 . 1 1 171 171 LYS C C 13 176.072 0.006 . 1 . . . . . 171 LYS C . 27594 1 568 . 1 1 171 171 LYS CA C 13 52.456 0.022 . 1 . . . . . 171 LYS CA . 27594 1 569 . 1 1 171 171 LYS CB C 13 37.838 0.036 . 1 . . . . . 171 LYS CB . 27594 1 570 . 1 1 171 171 LYS N N 15 113.154 0.036 . 1 . . . . . 171 LYS N . 27594 1 571 . 1 1 172 172 PHE H H 1 9.441 0.002 . 1 . . . . . 172 PHE H . 27594 1 572 . 1 1 172 172 PHE C C 13 171.148 0.000 . 1 . . . . . 172 PHE C . 27594 1 573 . 1 1 172 172 PHE CA C 13 56.502 0.000 . 1 . . . . . 172 PHE CA . 27594 1 574 . 1 1 172 172 PHE CB C 13 39.453 0.000 . 1 . . . . . 172 PHE CB . 27594 1 575 . 1 1 172 172 PHE N N 15 118.405 0.044 . 1 . . . . . 172 PHE N . 27594 1 576 . 1 1 177 177 ALA C C 13 175.362 0.011 . 1 . . . . . 177 ALA C . 27594 1 577 . 1 1 177 177 ALA CA C 13 51.694 0.005 . 1 . . . . . 177 ALA CA . 27594 1 578 . 1 1 177 177 ALA CB C 13 20.554 0.028 . 1 . . . . . 177 ALA CB . 27594 1 579 . 1 1 178 178 LEU H H 1 8.497 0.001 . 1 . . . . . 178 LEU H . 27594 1 580 . 1 1 178 178 LEU C C 13 175.524 0.007 . 1 . . . . . 178 LEU C . 27594 1 581 . 1 1 178 178 LEU CA C 13 53.501 0.030 . 1 . . . . . 178 LEU CA . 27594 1 582 . 1 1 178 178 LEU CB C 13 44.377 0.017 . 1 . . . . . 178 LEU CB . 27594 1 583 . 1 1 178 178 LEU N N 15 119.794 0.025 . 1 . . . . . 178 LEU N . 27594 1 584 . 1 1 179 179 LYS H H 1 9.152 0.002 . 1 . . . . . 179 LYS H . 27594 1 585 . 1 1 179 179 LYS C C 13 176.667 0.000 . 1 . . . . . 179 LYS C . 27594 1 586 . 1 1 179 179 LYS CA C 13 54.513 0.000 . 1 . . . . . 179 LYS CA . 27594 1 587 . 1 1 179 179 LYS CB C 13 36.979 0.000 . 1 . . . . . 179 LYS CB . 27594 1 588 . 1 1 179 179 LYS N N 15 118.610 0.028 . 1 . . . . . 179 LYS N . 27594 1 589 . 1 1 181 181 SER C C 13 174.404 0.003 . 1 . . . . . 181 SER C . 27594 1 590 . 1 1 181 181 SER CA C 13 57.760 0.040 . 1 . . . . . 181 SER CA . 27594 1 591 . 1 1 181 181 SER CB C 13 63.307 0.006 . 1 . . . . . 181 SER CB . 27594 1 592 . 1 1 182 182 LYS H H 1 8.488 0.001 . 1 . . . . . 182 LYS H . 27594 1 593 . 1 1 182 182 LYS C C 13 175.994 0.010 . 1 . . . . . 182 LYS C . 27594 1 594 . 1 1 182 182 LYS CA C 13 55.344 0.028 . 1 . . . . . 182 LYS CA . 27594 1 595 . 1 1 182 182 LYS CB C 13 28.400 0.024 . 1 . . . . . 182 LYS CB . 27594 1 596 . 1 1 182 182 LYS N N 15 122.606 0.024 . 1 . . . . . 182 LYS N . 27594 1 597 . 1 1 183 183 THR H H 1 8.020 0.001 . 1 . . . . . 183 THR H . 27594 1 598 . 1 1 183 183 THR C C 13 174.628 0.000 . 1 . . . . . 183 THR C . 27594 1 599 . 1 1 183 183 THR CA C 13 61.008 0.000 . 1 . . . . . 183 THR CA . 27594 1 600 . 1 1 183 183 THR CB C 13 69.623 0.000 . 1 . . . . . 183 THR CB . 27594 1 601 . 1 1 183 183 THR N N 15 114.792 0.023 . 1 . . . . . 183 THR N . 27594 1 602 . 1 1 184 184 GLY H H 1 7.396 0.001 . 1 . . . . . 184 GLY H . 27594 1 603 . 1 1 184 184 GLY C C 13 172.942 0.010 . 1 . . . . . 184 GLY C . 27594 1 604 . 1 1 184 184 GLY CA C 13 44.289 0.018 . 1 . . . . . 184 GLY CA . 27594 1 605 . 1 1 184 184 GLY N N 15 110.484 0.000 . 1 . . . . . 184 GLY N . 27594 1 606 . 1 1 185 185 ASN H H 1 8.250 0.001 . 1 . . . . . 185 ASN H . 27594 1 607 . 1 1 185 185 ASN C C 13 174.936 0.006 . 1 . . . . . 185 ASN C . 27594 1 608 . 1 1 185 185 ASN CA C 13 52.612 0.008 . 1 . . . . . 185 ASN CA . 27594 1 609 . 1 1 185 185 ASN CB C 13 38.484 0.025 . 1 . . . . . 185 ASN CB . 27594 1 610 . 1 1 185 185 ASN N N 15 117.449 0.045 . 1 . . . . . 185 ASN N . 27594 1 611 . 1 1 186 186 ASP H H 1 8.373 0.001 . 1 . . . . . 186 ASP H . 27594 1 612 . 1 1 186 186 ASP C C 13 177.156 0.005 . 1 . . . . . 186 ASP C . 27594 1 613 . 1 1 186 186 ASP CA C 13 54.436 0.048 . 1 . . . . . 186 ASP CA . 27594 1 614 . 1 1 186 186 ASP CB C 13 40.449 0.010 . 1 . . . . . 186 ASP CB . 27594 1 615 . 1 1 186 186 ASP N N 15 120.967 0.042 . 1 . . . . . 186 ASP N . 27594 1 616 . 1 1 187 187 ILE H H 1 8.701 0.001 . 1 . . . . . 187 ILE H . 27594 1 617 . 1 1 187 187 ILE C C 13 176.004 0.010 . 1 . . . . . 187 ILE C . 27594 1 618 . 1 1 187 187 ILE CA C 13 61.005 0.097 . 1 . . . . . 187 ILE CA . 27594 1 619 . 1 1 187 187 ILE CB C 13 37.827 0.017 . 1 . . . . . 187 ILE CB . 27594 1 620 . 1 1 187 187 ILE N N 15 122.806 0.028 . 1 . . . . . 187 ILE N . 27594 1 621 . 1 1 188 188 SER H H 1 8.554 0.001 . 1 . . . . . 188 SER H . 27594 1 622 . 1 1 188 188 SER CA C 13 57.926 0.061 . 1 . . . . . 188 SER CA . 27594 1 623 . 1 1 188 188 SER CB C 13 63.036 0.000 . 1 . . . . . 188 SER CB . 27594 1 624 . 1 1 188 188 SER N N 15 120.279 0.024 . 1 . . . . . 188 SER N . 27594 1 625 . 1 1 189 189 LEU H H 1 8.473 0.001 . 1 . . . . . 189 LEU H . 27594 1 626 . 1 1 189 189 LEU C C 13 177.680 0.007 . 1 . . . . . 189 LEU C . 27594 1 627 . 1 1 189 189 LEU CA C 13 54.291 0.044 . 1 . . . . . 189 LEU CA . 27594 1 628 . 1 1 189 189 LEU CB C 13 40.515 0.047 . 1 . . . . . 189 LEU CB . 27594 1 629 . 1 1 189 189 LEU N N 15 126.140 0.000 . 1 . . . . . 189 LEU N . 27594 1 630 . 1 1 190 190 GLY H H 1 8.163 0.000 . 1 . . . . . 190 GLY H . 27594 1 631 . 1 1 190 190 GLY C C 13 174.647 0.000 . 1 . . . . . 190 GLY C . 27594 1 632 . 1 1 190 190 GLY CA C 13 45.832 0.070 . 1 . . . . . 190 GLY CA . 27594 1 633 . 1 1 190 190 GLY N N 15 108.655 0.050 . 1 . . . . . 190 GLY N . 27594 1 634 . 1 1 191 191 LYS H H 1 7.547 0.001 . 1 . . . . . 191 LYS H . 27594 1 635 . 1 1 191 191 LYS CA C 13 59.702 0.000 . 1 . . . . . 191 LYS CA . 27594 1 636 . 1 1 191 191 LYS N N 15 111.327 0.000 . 1 . . . . . 191 LYS N . 27594 1 637 . 1 1 198 198 LEU C C 13 175.942 0.000 . 1 . . . . . 198 LEU C . 27594 1 638 . 1 1 198 198 LEU CA C 13 58.972 0.045 . 1 . . . . . 198 LEU CA . 27594 1 639 . 1 1 198 198 LEU CB C 13 40.561 0.005 . 1 . . . . . 198 LEU CB . 27594 1 640 . 1 1 199 199 SER H H 1 8.592 0.001 . 1 . . . . . 199 SER H . 27594 1 641 . 1 1 199 199 SER C C 13 176.480 0.004 . 1 . . . . . 199 SER C . 27594 1 642 . 1 1 199 199 SER CA C 13 54.855 0.000 . 1 . . . . . 199 SER CA . 27594 1 643 . 1 1 199 199 SER CB C 13 62.892 0.026 . 1 . . . . . 199 SER CB . 27594 1 644 . 1 1 199 199 SER N N 15 112.187 0.000 . 1 . . . . . 199 SER N . 27594 1 645 . 1 1 200 200 ASN H H 1 7.642 0.002 . 1 . . . . . 200 ASN H . 27594 1 646 . 1 1 200 200 ASN C C 13 174.313 0.000 . 1 . . . . . 200 ASN C . 27594 1 647 . 1 1 200 200 ASN CA C 13 55.388 0.015 . 1 . . . . . 200 ASN CA . 27594 1 648 . 1 1 200 200 ASN CB C 13 37.824 0.034 . 1 . . . . . 200 ASN CB . 27594 1 649 . 1 1 200 200 ASN N N 15 121.879 0.054 . 1 . . . . . 200 ASN N . 27594 1 650 . 1 1 201 201 SER H H 1 7.457 0.000 . 1 . . . . . 201 SER H . 27594 1 651 . 1 1 201 201 SER C C 13 171.063 0.009 . 1 . . . . . 201 SER C . 27594 1 652 . 1 1 201 201 SER CA C 13 58.090 0.062 . 1 . . . . . 201 SER CA . 27594 1 653 . 1 1 201 201 SER CB C 13 65.574 0.051 . 1 . . . . . 201 SER CB . 27594 1 654 . 1 1 201 201 SER N N 15 111.362 0.000 . 1 . . . . . 201 SER N . 27594 1 655 . 1 1 202 202 THR H H 1 8.502 0.001 . 1 . . . . . 202 THR H . 27594 1 656 . 1 1 202 202 THR C C 13 172.527 0.000 . 1 . . . . . 202 THR C . 27594 1 657 . 1 1 202 202 THR CA C 13 60.914 0.000 . 1 . . . . . 202 THR CA . 27594 1 658 . 1 1 202 202 THR CB C 13 70.724 0.000 . 1 . . . . . 202 THR CB . 27594 1 659 . 1 1 202 202 THR N N 15 118.806 0.028 . 1 . . . . . 202 THR N . 27594 1 660 . 1 1 205 205 PHE C C 13 174.753 0.004 . 1 . . . . . 205 PHE C . 27594 1 661 . 1 1 205 205 PHE CA C 13 55.691 0.059 . 1 . . . . . 205 PHE CA . 27594 1 662 . 1 1 205 205 PHE CB C 13 42.017 0.001 . 1 . . . . . 205 PHE CB . 27594 1 663 . 1 1 206 206 ALA H H 1 8.673 0.001 . 1 . . . . . 206 ALA H . 27594 1 664 . 1 1 206 206 ALA C C 13 177.266 0.007 . 1 . . . . . 206 ALA C . 27594 1 665 . 1 1 206 206 ALA CA C 13 52.772 0.009 . 1 . . . . . 206 ALA CA . 27594 1 666 . 1 1 206 206 ALA CB C 13 17.844 0.011 . 1 . . . . . 206 ALA CB . 27594 1 667 . 1 1 206 206 ALA N N 15 126.554 0.027 . 1 . . . . . 206 ALA N . 27594 1 668 . 1 1 207 207 ILE H H 1 7.767 0.001 . 1 . . . . . 207 ILE H . 27594 1 669 . 1 1 207 207 ILE C C 13 174.395 0.006 . 1 . . . . . 207 ILE C . 27594 1 670 . 1 1 207 207 ILE CA C 13 58.738 0.051 . 1 . . . . . 207 ILE CA . 27594 1 671 . 1 1 207 207 ILE CB C 13 41.944 0.039 . 1 . . . . . 207 ILE CB . 27594 1 672 . 1 1 207 207 ILE N N 15 114.545 0.027 . 1 . . . . . 207 ILE N . 27594 1 673 . 1 1 208 208 ASP H H 1 8.338 0.001 . 1 . . . . . 208 ASP H . 27594 1 674 . 1 1 208 208 ASP C C 13 176.318 0.006 . 1 . . . . . 208 ASP C . 27594 1 675 . 1 1 208 208 ASP CA C 13 52.654 0.017 . 1 . . . . . 208 ASP CA . 27594 1 676 . 1 1 208 208 ASP CB C 13 41.511 0.021 . 1 . . . . . 208 ASP CB . 27594 1 677 . 1 1 208 208 ASP N N 15 120.372 0.034 . 1 . . . . . 208 ASP N . 27594 1 678 . 1 1 209 209 GLN H H 1 8.695 0.001 . 1 . . . . . 209 GLN H . 27594 1 679 . 1 1 209 209 GLN C C 13 178.831 0.007 . 1 . . . . . 209 GLN C . 27594 1 680 . 1 1 209 209 GLN CA C 13 58.386 0.083 . 1 . . . . . 209 GLN CA . 27594 1 681 . 1 1 209 209 GLN CB C 13 27.820 0.056 . 1 . . . . . 209 GLN CB . 27594 1 682 . 1 1 209 209 GLN N N 15 119.274 0.028 . 1 . . . . . 209 GLN N . 27594 1 683 . 1 1 210 210 SER H H 1 8.486 0.001 . 1 . . . . . 210 SER H . 27594 1 684 . 1 1 210 210 SER CA C 13 61.308 0.000 . 1 . . . . . 210 SER CA . 27594 1 685 . 1 1 210 210 SER N N 15 116.550 0.023 . 1 . . . . . 210 SER N . 27594 1 686 . 1 1 212 212 ALA C C 13 180.138 0.000 . 1 . . . . . 212 ALA C . 27594 1 687 . 1 1 212 212 ALA CA C 13 55.605 0.015 . 1 . . . . . 212 ALA CA . 27594 1 688 . 1 1 212 212 ALA CB C 13 16.771 0.000 . 1 . . . . . 212 ALA CB . 27594 1 689 . 1 1 213 213 HIS H H 1 8.318 0.001 . 1 . . . . . 213 HIS H . 27594 1 690 . 1 1 213 213 HIS C C 13 177.574 0.012 . 1 . . . . . 213 HIS C . 27594 1 691 . 1 1 213 213 HIS CA C 13 58.338 0.065 . 1 . . . . . 213 HIS CA . 27594 1 692 . 1 1 213 213 HIS CB C 13 28.022 0.018 . 1 . . . . . 213 HIS CB . 27594 1 693 . 1 1 213 213 HIS N N 15 117.013 0.030 . 1 . . . . . 213 HIS N . 27594 1 694 . 1 1 214 214 GLU H H 1 7.781 0.001 . 1 . . . . . 214 GLU H . 27594 1 695 . 1 1 214 214 GLU C C 13 180.114 0.000 . 1 . . . . . 214 GLU C . 27594 1 696 . 1 1 214 214 GLU CB C 13 28.322 0.000 . 1 . . . . . 214 GLU CB . 27594 1 697 . 1 1 214 214 GLU N N 15 120.121 0.035 . 1 . . . . . 214 GLU N . 27594 1 698 . 1 1 223 223 GLY C C 13 171.540 0.008 . 1 . . . . . 223 GLY C . 27594 1 699 . 1 1 223 223 GLY CA C 13 43.634 0.015 . 1 . . . . . 223 GLY CA . 27594 1 700 . 1 1 224 224 VAL H H 1 8.102 0.002 . 1 . . . . . 224 VAL H . 27594 1 701 . 1 1 224 224 VAL C C 13 174.105 0.007 . 1 . . . . . 224 VAL C . 27594 1 702 . 1 1 224 224 VAL CA C 13 62.014 0.060 . 1 . . . . . 224 VAL CA . 27594 1 703 . 1 1 224 224 VAL CB C 13 30.418 0.040 . 1 . . . . . 224 VAL CB . 27594 1 704 . 1 1 224 224 VAL N N 15 123.432 0.034 . 1 . . . . . 224 VAL N . 27594 1 705 . 1 1 225 225 ASP H H 1 9.216 0.001 . 1 . . . . . 225 ASP H . 27594 1 706 . 1 1 225 225 ASP C C 13 176.242 0.011 . 1 . . . . . 225 ASP C . 27594 1 707 . 1 1 225 225 ASP CA C 13 52.916 0.075 . 1 . . . . . 225 ASP CA . 27594 1 708 . 1 1 225 225 ASP CB C 13 44.992 0.026 . 1 . . . . . 225 ASP CB . 27594 1 709 . 1 1 225 225 ASP N N 15 128.540 0.037 . 1 . . . . . 225 ASP N . 27594 1 710 . 1 1 226 226 SER H H 1 9.075 0.001 . 1 . . . . . 226 SER H . 27594 1 711 . 1 1 226 226 SER CA C 13 56.684 0.000 . 1 . . . . . 226 SER CA . 27594 1 712 . 1 1 226 226 SER CB C 13 63.311 0.000 . 1 . . . . . 226 SER CB . 27594 1 713 . 1 1 226 226 SER N N 15 120.209 0.030 . 1 . . . . . 226 SER N . 27594 1 714 . 1 1 228 228 GLY C C 13 174.049 0.004 . 1 . . . . . 228 GLY C . 27594 1 715 . 1 1 229 229 ILE H H 1 9.082 0.000 . 1 . . . . . 229 ILE H . 27594 1 716 . 1 1 229 229 ILE C C 13 175.219 0.007 . 1 . . . . . 229 ILE C . 27594 1 717 . 1 1 229 229 ILE CA C 13 63.167 0.000 . 1 . . . . . 229 ILE CA . 27594 1 718 . 1 1 229 229 ILE CB C 13 37.622 0.004 . 1 . . . . . 229 ILE CB . 27594 1 719 . 1 1 229 229 ILE N N 15 129.221 0.000 . 1 . . . . . 229 ILE N . 27594 1 720 . 1 1 230 230 LYS H H 1 7.620 0.001 . 1 . . . . . 230 LYS H . 27594 1 721 . 1 1 230 230 LYS C C 13 175.126 0.002 . 1 . . . . . 230 LYS C . 27594 1 722 . 1 1 230 230 LYS CA C 13 53.805 0.020 . 1 . . . . . 230 LYS CA . 27594 1 723 . 1 1 230 230 LYS CB C 13 34.031 0.012 . 1 . . . . . 230 LYS CB . 27594 1 724 . 1 1 230 230 LYS N N 15 117.620 0.041 . 1 . . . . . 230 LYS N . 27594 1 725 . 1 1 231 231 GLN H H 1 8.563 0.001 . 1 . . . . . 231 GLN H . 27594 1 726 . 1 1 231 231 GLN C C 13 176.043 0.008 . 1 . . . . . 231 GLN C . 27594 1 727 . 1 1 231 231 GLN CA C 13 56.317 0.015 . 1 . . . . . 231 GLN CA . 27594 1 728 . 1 1 231 231 GLN CB C 13 28.251 0.013 . 1 . . . . . 231 GLN CB . 27594 1 729 . 1 1 231 231 GLN N N 15 121.772 0.034 . 1 . . . . . 231 GLN N . 27594 1 730 . 1 1 232 232 GLU H H 1 8.819 0.001 . 1 . . . . . 232 GLU H . 27594 1 731 . 1 1 232 232 GLU C C 13 174.137 0.000 . 1 . . . . . 232 GLU C . 27594 1 732 . 1 1 232 232 GLU CA C 13 54.349 0.000 . 1 . . . . . 232 GLU CA . 27594 1 733 . 1 1 232 232 GLU CB C 13 33.068 0.000 . 1 . . . . . 232 GLU CB . 27594 1 734 . 1 1 232 232 GLU N N 15 124.102 0.028 . 1 . . . . . 232 GLU N . 27594 1 735 . 1 1 234 234 ILE H H 1 9.383 0.001 . 1 . . . . . 234 ILE H . 27594 1 736 . 1 1 234 234 ILE C C 13 174.310 0.010 . 1 . . . . . 234 ILE C . 27594 1 737 . 1 1 234 234 ILE CA C 13 59.228 0.038 . 1 . . . . . 234 ILE CA . 27594 1 738 . 1 1 234 234 ILE CB C 13 39.897 0.049 . 1 . . . . . 234 ILE CB . 27594 1 739 . 1 1 234 234 ILE N N 15 123.894 0.000 . 1 . . . . . 234 ILE N . 27594 1 740 . 1 1 235 235 GLU H H 1 8.708 0.001 . 1 . . . . . 235 GLU H . 27594 1 741 . 1 1 235 235 GLU C C 13 174.919 0.006 . 1 . . . . . 235 GLU C . 27594 1 742 . 1 1 235 235 GLU CA C 13 55.934 0.047 . 1 . . . . . 235 GLU CA . 27594 1 743 . 1 1 235 235 GLU CB C 13 30.462 0.030 . 1 . . . . . 235 GLU CB . 27594 1 744 . 1 1 235 235 GLU N N 15 124.937 0.040 . 1 . . . . . 235 GLU N . 27594 1 745 . 1 1 236 236 ILE H H 1 8.811 0.001 . 1 . . . . . 236 ILE H . 27594 1 746 . 1 1 236 236 ILE C C 13 176.206 0.000 . 1 . . . . . 236 ILE C . 27594 1 747 . 1 1 236 236 ILE CA C 13 60.367 0.000 . 1 . . . . . 236 ILE CA . 27594 1 748 . 1 1 236 236 ILE CB C 13 36.343 0.000 . 1 . . . . . 236 ILE CB . 27594 1 749 . 1 1 236 236 ILE N N 15 127.653 0.032 . 1 . . . . . 236 ILE N . 27594 1 750 . 1 1 238 238 LYS C C 13 177.503 0.004 . 1 . . . . . 238 LYS C . 27594 1 751 . 1 1 238 238 LYS CA C 13 56.436 0.025 . 1 . . . . . 238 LYS CA . 27594 1 752 . 1 1 238 238 LYS CB C 13 32.214 0.044 . 1 . . . . . 238 LYS CB . 27594 1 753 . 1 1 239 239 MET H H 1 8.521 0.001 . 1 . . . . . 239 MET H . 27594 1 754 . 1 1 239 239 MET C C 13 175.493 0.034 . 1 . . . . . 239 MET C . 27594 1 755 . 1 1 239 239 MET CA C 13 55.697 0.030 . 1 . . . . . 239 MET CA . 27594 1 756 . 1 1 239 239 MET CB C 13 33.168 0.018 . 1 . . . . . 239 MET CB . 27594 1 757 . 1 1 239 239 MET N N 15 125.822 0.020 . 1 . . . . . 239 MET N . 27594 1 758 . 1 1 240 240 GLU H H 1 8.387 0.001 . 1 . . . . . 240 GLU H . 27594 1 759 . 1 1 240 240 GLU C C 13 174.884 0.008 . 1 . . . . . 240 GLU C . 27594 1 760 . 1 1 240 240 GLU CB C 13 29.441 0.018 . 1 . . . . . 240 GLU CB . 27594 1 761 . 1 1 240 240 GLU N N 15 123.218 0.028 . 1 . . . . . 240 GLU N . 27594 1 762 . 1 1 241 241 ASP H H 1 7.835 0.001 . 1 . . . . . 241 ASP H . 27594 1 763 . 1 1 241 241 ASP C C 13 174.206 0.000 . 1 . . . . . 241 ASP C . 27594 1 764 . 1 1 241 241 ASP CA C 13 51.653 0.000 . 1 . . . . . 241 ASP CA . 27594 1 765 . 1 1 241 241 ASP CB C 13 41.892 0.000 . 1 . . . . . 241 ASP CB . 27594 1 766 . 1 1 241 241 ASP N N 15 121.381 0.042 . 1 . . . . . 241 ASP N . 27594 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27594 _Assigned_chem_shift_list.ID 2 _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 $chemical_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 '3D CBCA(CO)NH' . . . 27594 2 2 '3D HNCACB' . . . 27594 2 3 '2D 1H-15N Trosy' . . . 27594 2 4 '3D HNCO' . . . 27594 2 5 '3D HCACO' . . . 27594 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 ALA CA C 13 51.960 0.001 . 1 . . . . . 1 ALA CA . 27594 2 2 . 2 2 1 1 ALA CB C 13 18.344 0.058 . 1 . . . . . 1 ALA CB . 27594 2 3 . 2 2 2 2 VAL H H 1 8.198 0.000 . 1 . . . . . 2 VAL H . 27594 2 4 . 2 2 2 2 VAL CA C 13 61.735 0.055 . 1 . . . . . 2 VAL CA . 27594 2 5 . 2 2 2 2 VAL CB C 13 31.958 0.025 . 1 . . . . . 2 VAL CB . 27594 2 6 . 2 2 2 2 VAL N N 15 120.621 0.000 . 1 . . . . . 2 VAL N . 27594 2 7 . 2 2 3 3 THR H H 1 8.147 0.001 . 1 . . . . . 3 THR H . 27594 2 8 . 2 2 3 3 THR CA C 13 61.234 0.000 . 1 . . . . . 3 THR CA . 27594 2 9 . 2 2 3 3 THR CB C 13 69.403 0.000 . 1 . . . . . 3 THR CB . 27594 2 10 . 2 2 3 3 THR N N 15 118.750 0.000 . 1 . . . . . 3 THR N . 27594 2 11 . 2 2 8 8 HIS C C 13 174.739 0.010 . 1 . . . . . 8 HIS C . 27594 2 12 . 2 2 8 8 HIS CA C 13 54.884 0.003 . 1 . . . . . 8 HIS CA . 27594 2 13 . 2 2 8 8 HIS CB C 13 32.801 0.052 . 1 . . . . . 8 HIS CB . 27594 2 14 . 2 2 9 9 HIS H H 1 9.163 0.001 . 1 . . . . . 9 HIS H . 27594 2 15 . 2 2 9 9 HIS C C 13 174.198 0.010 . 1 . . . . . 9 HIS C . 27594 2 16 . 2 2 9 9 HIS CA C 13 53.330 0.046 . 1 . . . . . 9 HIS CA . 27594 2 17 . 2 2 9 9 HIS CB C 13 30.066 0.023 . 1 . . . . . 9 HIS CB . 27594 2 18 . 2 2 9 9 HIS N N 15 127.074 0.026 . 1 . . . . . 9 HIS N . 27594 2 19 . 2 2 10 10 SER H H 1 7.962 0.001 . 1 . . . . . 10 SER H . 27594 2 20 . 2 2 10 10 SER C C 13 172.818 0.000 . 1 . . . . . 10 SER C . 27594 2 21 . 2 2 10 10 SER CA C 13 55.752 0.000 . 1 . . . . . 10 SER CA . 27594 2 22 . 2 2 10 10 SER CB C 13 64.661 0.000 . 1 . . . . . 10 SER CB . 27594 2 23 . 2 2 10 10 SER N N 15 115.697 0.047 . 1 . . . . . 10 SER N . 27594 2 24 . 2 2 13 13 CYS C C 13 172.422 0.011 . 1 . . . . . 13 CYS C . 27594 2 25 . 2 2 13 13 CYS CA C 13 56.001 0.000 . 1 . . . . . 13 CYS CA . 27594 2 26 . 2 2 13 13 CYS CB C 13 49.084 0.002 . 1 . . . . . 13 CYS CB . 27594 2 27 . 2 2 14 14 THR H H 1 9.608 0.001 . 1 . . . . . 14 THR H . 27594 2 28 . 2 2 14 14 THR C C 13 174.312 0.007 . 1 . . . . . 14 THR C . 27594 2 29 . 2 2 14 14 THR CA C 13 61.415 0.066 . 1 . . . . . 14 THR CA . 27594 2 30 . 2 2 14 14 THR CB C 13 68.906 0.032 . 1 . . . . . 14 THR CB . 27594 2 31 . 2 2 14 14 THR N N 15 121.903 0.040 . 1 . . . . . 14 THR N . 27594 2 32 . 2 2 15 15 VAL H H 1 9.537 0.001 . 1 . . . . . 15 VAL H . 27594 2 33 . 2 2 15 15 VAL C C 13 174.083 0.000 . 1 . . . . . 15 VAL C . 27594 2 34 . 2 2 15 15 VAL CA C 13 58.297 0.010 . 1 . . . . . 15 VAL CA . 27594 2 35 . 2 2 15 15 VAL CB C 13 34.864 0.000 . 1 . . . . . 15 VAL CB . 27594 2 36 . 2 2 15 15 VAL N N 15 121.952 0.034 . 1 . . . . . 15 VAL N . 27594 2 37 . 2 2 16 16 GLY H H 1 7.404 0.000 . 1 . . . . . 16 GLY H . 27594 2 38 . 2 2 16 16 GLY CA C 13 43.868 0.006 . 1 . . . . . 16 GLY CA . 27594 2 39 . 2 2 16 16 GLY N N 15 104.996 0.000 . 1 . . . . . 16 GLY N . 27594 2 40 . 2 2 17 17 GLY H H 1 7.432 0.001 . 1 . . . . . 17 GLY H . 27594 2 41 . 2 2 17 17 GLY C C 13 174.818 0.003 . 1 . . . . . 17 GLY C . 27594 2 42 . 2 2 17 17 GLY CA C 13 45.094 0.000 . 1 . . . . . 17 GLY CA . 27594 2 43 . 2 2 17 17 GLY N N 15 109.046 0.000 . 1 . . . . . 17 GLY N . 27594 2 44 . 2 2 18 18 SER H H 1 8.249 0.000 . 1 . . . . . 18 SER H . 27594 2 45 . 2 2 18 18 SER CA C 13 57.729 0.000 . 1 . . . . . 18 SER CA . 27594 2 46 . 2 2 18 18 SER CB C 13 63.407 0.019 . 1 . . . . . 18 SER CB . 27594 2 47 . 2 2 18 18 SER N N 15 118.405 0.036 . 1 . . . . . 18 SER N . 27594 2 48 . 2 2 19 19 GLN H H 1 8.467 0.001 . 1 . . . . . 19 GLN H . 27594 2 49 . 2 2 19 19 GLN C C 13 175.963 0.005 . 1 . . . . . 19 GLN C . 27594 2 50 . 2 2 19 19 GLN CA C 13 55.350 0.013 . 1 . . . . . 19 GLN CA . 27594 2 51 . 2 2 19 19 GLN CB C 13 28.597 0.033 . 1 . . . . . 19 GLN CB . 27594 2 52 . 2 2 19 19 GLN N N 15 122.865 0.000 . 1 . . . . . 19 GLN N . 27594 2 53 . 2 2 20 20 THR H H 1 8.126 0.001 . 1 . . . . . 20 THR H . 27594 2 54 . 2 2 20 20 THR C C 13 174.501 0.000 . 1 . . . . . 20 THR C . 27594 2 55 . 2 2 20 20 THR CA C 13 61.097 0.062 . 1 . . . . . 20 THR CA . 27594 2 56 . 2 2 20 20 THR CB C 13 69.690 0.038 . 1 . . . . . 20 THR CB . 27594 2 57 . 2 2 20 20 THR N N 15 115.290 0.021 . 1 . . . . . 20 THR N . 27594 2 58 . 2 2 21 21 GLU H H 1 8.390 0.000 . 1 . . . . . 21 GLU H . 27594 2 59 . 2 2 21 21 GLU C C 13 177.008 0.024 . 1 . . . . . 21 GLU C . 27594 2 60 . 2 2 21 21 GLU CA C 13 56.676 0.036 . 1 . . . . . 21 GLU CA . 27594 2 61 . 2 2 21 21 GLU CB C 13 29.219 0.060 . 1 . . . . . 21 GLU CB . 27594 2 62 . 2 2 21 21 GLU N N 15 122.724 0.000 . 1 . . . . . 21 GLU N . 27594 2 63 . 2 2 22 22 GLY H H 1 8.401 0.001 . 1 . . . . . 22 GLY H . 27594 2 64 . 2 2 22 22 GLY C C 13 173.917 0.006 . 1 . . . . . 22 GLY C . 27594 2 65 . 2 2 22 22 GLY CA C 13 45.002 0.017 . 1 . . . . . 22 GLY CA . 27594 2 66 . 2 2 22 22 GLY N N 15 110.208 0.034 . 1 . . . . . 22 GLY N . 27594 2 67 . 2 2 23 23 ASN H H 1 8.094 0.001 . 1 . . . . . 23 ASN H . 27594 2 68 . 2 2 23 23 ASN C C 13 175.396 0.005 . 1 . . . . . 23 ASN C . 27594 2 69 . 2 2 23 23 ASN CA C 13 52.831 0.044 . 1 . . . . . 23 ASN CA . 27594 2 70 . 2 2 23 23 ASN CB C 13 38.312 0.014 . 1 . . . . . 23 ASN CB . 27594 2 71 . 2 2 23 23 ASN N N 15 118.690 0.047 . 1 . . . . . 23 ASN N . 27594 2 72 . 2 2 24 24 MET H H 1 8.321 0.002 . 1 . . . . . 24 MET H . 27594 2 73 . 2 2 24 24 MET C C 13 176.077 0.001 . 1 . . . . . 24 MET C . 27594 2 74 . 2 2 24 24 MET CA C 13 55.436 0.045 . 1 . . . . . 24 MET CA . 27594 2 75 . 2 2 24 24 MET CB C 13 31.621 0.010 . 1 . . . . . 24 MET CB . 27594 2 76 . 2 2 24 24 MET N N 15 120.993 0.028 . 1 . . . . . 24 MET N . 27594 2 77 . 2 2 25 25 ASN H H 1 8.367 0.001 . 1 . . . . . 25 ASN H . 27594 2 78 . 2 2 25 25 ASN C C 13 174.995 0.013 . 1 . . . . . 25 ASN C . 27594 2 79 . 2 2 25 25 ASN CA C 13 53.526 0.013 . 1 . . . . . 25 ASN CA . 27594 2 80 . 2 2 25 25 ASN CB C 13 38.065 0.055 . 1 . . . . . 25 ASN CB . 27594 2 81 . 2 2 25 25 ASN N N 15 118.766 0.033 . 1 . . . . . 25 ASN N . 27594 2 82 . 2 2 26 26 LYS H H 1 8.045 0.001 . 1 . . . . . 26 LYS H . 27594 2 83 . 2 2 26 26 LYS C C 13 176.042 0.001 . 1 . . . . . 26 LYS C . 27594 2 84 . 2 2 26 26 LYS CA C 13 55.851 0.053 . 1 . . . . . 26 LYS CA . 27594 2 85 . 2 2 26 26 LYS CB C 13 32.039 0.007 . 1 . . . . . 26 LYS CB . 27594 2 86 . 2 2 26 26 LYS N N 15 120.717 0.040 . 1 . . . . . 26 LYS N . 27594 2 87 . 2 2 27 27 PHE H H 1 7.926 0.002 . 1 . . . . . 27 PHE H . 27594 2 88 . 2 2 27 27 PHE C C 13 176.285 0.006 . 1 . . . . . 27 PHE C . 27594 2 89 . 2 2 27 27 PHE CA C 13 57.010 0.087 . 1 . . . . . 27 PHE CA . 27594 2 90 . 2 2 27 27 PHE CB C 13 38.990 0.022 . 1 . . . . . 27 PHE CB . 27594 2 91 . 2 2 27 27 PHE N N 15 120.051 0.011 . 1 . . . . . 27 PHE N . 27594 2 92 . 2 2 28 28 GLY H H 1 8.344 0.001 . 1 . . . . . 28 GLY H . 27594 2 93 . 2 2 28 28 GLY C C 13 172.837 0.007 . 1 . . . . . 28 GLY C . 27594 2 94 . 2 2 28 28 GLY CA C 13 45.990 0.027 . 1 . . . . . 28 GLY CA . 27594 2 95 . 2 2 28 28 GLY N N 15 111.283 0.024 . 1 . . . . . 28 GLY N . 27594 2 96 . 2 2 29 29 THR H H 1 7.615 0.002 . 1 . . . . . 29 THR H . 27594 2 97 . 2 2 29 29 THR C C 13 173.544 0.000 . 1 . . . . . 29 THR C . 27594 2 98 . 2 2 29 29 THR CA C 13 59.901 0.000 . 1 . . . . . 29 THR CA . 27594 2 99 . 2 2 29 29 THR N N 15 112.832 0.023 . 1 . . . . . 29 THR N . 27594 2 100 . 2 2 39 39 TRP C C 13 172.520 0.000 . 1 . . . . . 39 TRP C . 27594 2 101 . 2 2 39 39 TRP CA C 13 59.257 0.065 . 1 . . . . . 39 TRP CA . 27594 2 102 . 2 2 40 40 ASN H H 1 8.598 0.001 . 1 . . . . . 40 ASN H . 27594 2 103 . 2 2 40 40 ASN C C 13 174.532 0.002 . 1 . . . . . 40 ASN C . 27594 2 104 . 2 2 40 40 ASN CA C 13 53.175 0.045 . 1 . . . . . 40 ASN CA . 27594 2 105 . 2 2 40 40 ASN CB C 13 39.023 0.018 . 1 . . . . . 40 ASN CB . 27594 2 106 . 2 2 40 40 ASN N N 15 117.753 0.027 . 1 . . . . . 40 ASN N . 27594 2 107 . 2 2 41 41 ASN H H 1 8.146 0.002 . 1 . . . . . 41 ASN H . 27594 2 108 . 2 2 41 41 ASN C C 13 172.948 0.010 . 1 . . . . . 41 ASN C . 27594 2 109 . 2 2 41 41 ASN CA C 13 51.117 0.066 . 1 . . . . . 41 ASN CA . 27594 2 110 . 2 2 41 41 ASN CB C 13 40.355 0.032 . 1 . . . . . 41 ASN CB . 27594 2 111 . 2 2 41 41 ASN N N 15 117.566 0.031 . 1 . . . . . 41 ASN N . 27594 2 112 . 2 2 42 42 VAL H H 1 8.098 0.001 . 1 . . . . . 42 VAL H . 27594 2 113 . 2 2 42 42 VAL C C 13 176.742 0.000 . 1 . . . . . 42 VAL C . 27594 2 114 . 2 2 42 42 VAL CA C 13 61.956 0.037 . 1 . . . . . 42 VAL CA . 27594 2 115 . 2 2 42 42 VAL CB C 13 31.812 0.026 . 1 . . . . . 42 VAL CB . 27594 2 116 . 2 2 42 42 VAL N N 15 118.513 0.028 . 1 . . . . . 42 VAL N . 27594 2 117 . 2 2 43 43 LEU H H 1 8.212 0.001 . 1 . . . . . 43 LEU H . 27594 2 118 . 2 2 43 43 LEU C C 13 173.806 0.000 . 1 . . . . . 43 LEU C . 27594 2 119 . 2 2 43 43 LEU CA C 13 57.79 0.000 . 1 . . . . . 43 LEU CA . 27594 2 120 . 2 2 43 43 LEU CB C 13 40.464 0.000 . 1 . . . . . 43 LEU CB . 27594 2 121 . 2 2 43 43 LEU N N 15 119.110 0.025 . 1 . . . . . 43 LEU N . 27594 2 122 . 2 2 44 44 THR H H 1 8.082 0.001 . 1 . . . . . 44 THR H . 27594 2 123 . 2 2 44 44 THR CA C 13 66.237 0.050 . 1 . . . . . 44 THR CA . 27594 2 124 . 2 2 44 44 THR CB C 13 67.327 0.010 . 1 . . . . . 44 THR CB . 27594 2 125 . 2 2 44 44 THR N N 15 121.937 0.000 . 1 . . . . . 44 THR N . 27594 2 126 . 2 2 45 45 ALA H H 1 8.273 0.001 . 1 . . . . . 45 ALA H . 27594 2 127 . 2 2 45 45 ALA C C 13 180.137 0.000 . 1 . . . . . 45 ALA C . 27594 2 128 . 2 2 45 45 ALA CA C 13 55.639 0.000 . 1 . . . . . 45 ALA CA . 27594 2 129 . 2 2 45 45 ALA CB C 13 16.795 0.000 . 1 . . . . . 45 ALA CB . 27594 2 130 . 2 2 45 45 ALA N N 15 123.917 0.000 . 1 . . . . . 45 ALA N . 27594 2 131 . 2 2 46 46 GLU H H 1 8.466 0.001 . 1 . . . . . 46 GLU H . 27594 2 132 . 2 2 46 46 GLU C C 13 174.954 0.087 . 1 . . . . . 46 GLU C . 27594 2 133 . 2 2 46 46 GLU CA C 13 55.080 0.029 . 1 . . . . . 46 GLU CA . 27594 2 134 . 2 2 46 46 GLU CB C 13 31.909 0.098 . 1 . . . . . 46 GLU CB . 27594 2 135 . 2 2 46 46 GLU N N 15 118.189 0.049 . 1 . . . . . 46 GLU N . 27594 2 136 . 2 2 47 47 VAL H H 1 8.173 0.001 . 1 . . . . . 47 VAL H . 27594 2 137 . 2 2 47 47 VAL C C 13 175.635 0.024 . 1 . . . . . 47 VAL C . 27594 2 138 . 2 2 47 47 VAL CA C 13 62.126 0.054 . 1 . . . . . 47 VAL CA . 27594 2 139 . 2 2 47 47 VAL CB C 13 31.661 0.014 . 1 . . . . . 47 VAL CB . 27594 2 140 . 2 2 47 47 VAL N N 15 121.470 0.034 . 1 . . . . . 47 VAL N . 27594 2 141 . 2 2 48 48 ALA H H 1 8.530 0.002 . 1 . . . . . 48 ALA H . 27594 2 142 . 2 2 48 48 ALA C C 13 176.353 0.007 . 1 . . . . . 48 ALA C . 27594 2 143 . 2 2 48 48 ALA CA C 13 52.714 0.032 . 1 . . . . . 48 ALA CA . 27594 2 144 . 2 2 48 48 ALA CB C 13 19.805 0.015 . 1 . . . . . 48 ALA CB . 27594 2 145 . 2 2 48 48 ALA N N 15 127.549 0.016 . 1 . . . . . 48 ALA N . 27594 2 146 . 2 2 49 49 SER H H 1 8.202 0.001 . 1 . . . . . 49 SER H . 27594 2 147 . 2 2 49 49 SER C C 13 174.750 0.000 . 1 . . . . . 49 SER C . 27594 2 148 . 2 2 49 49 SER CA C 13 57.638 0.000 . 1 . . . . . 49 SER CA . 27594 2 149 . 2 2 49 49 SER CB C 13 63.809 0.000 . 1 . . . . . 49 SER CB . 27594 2 150 . 2 2 49 49 SER N N 15 114.619 0.042 . 1 . . . . . 49 SER N . 27594 2 151 . 2 2 50 50 ALA H H 1 8.474 0.000 . 1 . . . . . 50 ALA H . 27594 2 152 . 2 2 50 50 ALA C C 13 178.649 0.000 . 1 . . . . . 50 ALA C . 27594 2 153 . 2 2 50 50 ALA CA C 13 53.489 0.018 . 1 . . . . . 50 ALA CA . 27594 2 154 . 2 2 50 50 ALA CB C 13 17.938 0.022 . 1 . . . . . 50 ALA CB . 27594 2 155 . 2 2 50 50 ALA N N 15 126.017 0.000 . 1 . . . . . 50 ALA N . 27594 2 156 . 2 2 51 51 ALA H H 1 8.194 0.001 . 1 . . . . . 51 ALA H . 27594 2 157 . 2 2 51 51 ALA C C 13 178.624 0.007 . 1 . . . . . 51 ALA C . 27594 2 158 . 2 2 51 51 ALA CA C 13 53.320 0.023 . 1 . . . . . 51 ALA CA . 27594 2 159 . 2 2 51 51 ALA CB C 13 18.260 0.054 . 1 . . . . . 51 ALA CB . 27594 2 160 . 2 2 51 51 ALA N N 15 120.349 0.012 . 1 . . . . . 51 ALA N . 27594 2 161 . 2 2 52 52 THR H H 1 7.606 0.002 . 1 . . . . . 52 THR H . 27594 2 162 . 2 2 52 52 THR C C 13 175.044 0.009 . 1 . . . . . 52 THR C . 27594 2 163 . 2 2 52 52 THR CA C 13 61.099 0.061 . 1 . . . . . 52 THR CA . 27594 2 164 . 2 2 52 52 THR CB C 13 68.925 0.027 . 1 . . . . . 52 THR CB . 27594 2 165 . 2 2 52 52 THR N N 15 108.745 0.030 . 1 . . . . . 52 THR N . 27594 2 166 . 2 2 53 53 GLY H H 1 7.923 0.003 . 1 . . . . . 53 GLY H . 27594 2 167 . 2 2 53 53 GLY C C 13 174.023 0.054 . 1 . . . . . 53 GLY C . 27594 2 168 . 2 2 53 53 GLY CA C 13 45.146 0.036 . 1 . . . . . 53 GLY CA . 27594 2 169 . 2 2 53 53 GLY N N 15 110.243 0.039 . 1 . . . . . 53 GLY N . 27594 2 170 . 2 2 54 54 GLY H H 1 8.019 0.001 . 1 . . . . . 54 GLY H . 27594 2 171 . 2 2 54 54 GLY C C 13 172.946 0.008 . 1 . . . . . 54 GLY C . 27594 2 172 . 2 2 54 54 GLY CA C 13 44.727 0.047 . 1 . . . . . 54 GLY CA . 27594 2 173 . 2 2 54 54 GLY N N 15 108.146 0.046 . 1 . . . . . 54 GLY N . 27594 2 174 . 2 2 55 55 ASN H H 1 7.944 0.001 . 1 . . . . . 55 ASN H . 27594 2 175 . 2 2 55 55 ASN C C 13 174.466 0.000 . 1 . . . . . 55 ASN C . 27594 2 176 . 2 2 55 55 ASN CA C 13 52.908 0.000 . 1 . . . . . 55 ASN CA . 27594 2 177 . 2 2 55 55 ASN N N 15 116.338 0.039 . 1 . . . . . 55 ASN N . 27594 2 178 . 2 2 56 56 ILE C C 13 175.758 0.004 . 1 . . . . . 56 ILE C . 27594 2 179 . 2 2 56 56 ILE CA C 13 60.607 0.035 . 1 . . . . . 56 ILE CA . 27594 2 180 . 2 2 56 56 ILE CB C 13 37.682 0.001 . 1 . . . . . 56 ILE CB . 27594 2 181 . 2 2 57 57 SER H H 1 8.824 0.001 . 1 . . . . . 57 SER H . 27594 2 182 . 2 2 57 57 SER C C 13 172.405 0.002 . 1 . . . . . 57 SER C . 27594 2 183 . 2 2 57 57 SER CA C 13 56.907 0.044 . 1 . . . . . 57 SER CA . 27594 2 184 . 2 2 57 57 SER CB C 13 66.497 0.016 . 1 . . . . . 57 SER CB . 27594 2 185 . 2 2 57 57 SER N N 15 121.343 0.032 . 1 . . . . . 57 SER N . 27594 2 186 . 2 2 58 58 VAL H H 1 8.425 0.001 . 1 . . . . . 58 VAL H . 27594 2 187 . 2 2 58 58 VAL C C 13 175.325 0.012 . 1 . . . . . 58 VAL C . 27594 2 188 . 2 2 58 58 VAL CA C 13 61.165 0.053 . 1 . . . . . 58 VAL CA . 27594 2 189 . 2 2 58 58 VAL CB C 13 35.288 0.016 . 1 . . . . . 58 VAL CB . 27594 2 190 . 2 2 58 58 VAL N N 15 121.879 0.000 . 1 . . . . . 58 VAL N . 27594 2 191 . 2 2 59 59 THR H H 1 8.799 0.001 . 1 . . . . . 59 THR H . 27594 2 192 . 2 2 59 59 THR C C 13 173.522 0.004 . 1 . . . . . 59 THR C . 27594 2 193 . 2 2 59 59 THR CA C 13 60.917 0.063 . 1 . . . . . 59 THR CA . 27594 2 194 . 2 2 59 59 THR CB C 13 70.532 0.020 . 1 . . . . . 59 THR CB . 27594 2 195 . 2 2 59 59 THR N N 15 122.945 0.044 . 1 . . . . . 59 THR N . 27594 2 196 . 2 2 60 60 CYS H H 1 9.258 0.001 . 1 . . . . . 60 CYS H . 27594 2 197 . 2 2 60 60 CYS C C 13 173.797 0.013 . 1 . . . . . 60 CYS C . 27594 2 198 . 2 2 60 60 CYS CA C 13 55.846 0.069 . 1 . . . . . 60 CYS CA . 27594 2 199 . 2 2 60 60 CYS CB C 13 47.151 0.026 . 1 . . . . . 60 CYS CB . 27594 2 200 . 2 2 60 60 CYS N N 15 125.381 0.046 . 1 . . . . . 60 CYS N . 27594 2 201 . 2 2 61 61 ASP H H 1 8.427 0.000 . 1 . . . . . 61 ASP H . 27594 2 202 . 2 2 61 61 ASP C C 13 176.509 0.013 . 1 . . . . . 61 ASP C . 27594 2 203 . 2 2 61 61 ASP CA C 13 53.182 0.055 . 1 . . . . . 61 ASP CA . 27594 2 204 . 2 2 61 61 ASP CB C 13 40.672 0.013 . 1 . . . . . 61 ASP CB . 27594 2 205 . 2 2 61 61 ASP N N 15 121.161 0.000 . 1 . . . . . 61 ASP N . 27594 2 206 . 2 2 62 62 GLY H H 1 7.880 0.000 . 1 . . . . . 62 GLY H . 27594 2 207 . 2 2 62 62 GLY C C 13 174.883 0.008 . 1 . . . . . 62 GLY C . 27594 2 208 . 2 2 62 62 GLY CA C 13 44.334 0.036 . 1 . . . . . 62 GLY CA . 27594 2 209 . 2 2 62 62 GLY N N 15 105.980 0.058 . 1 . . . . . 62 GLY N . 27594 2 210 . 2 2 63 63 THR H H 1 8.447 0.001 . 1 . . . . . 63 THR H . 27594 2 211 . 2 2 63 63 THR C C 13 175.193 0.003 . 1 . . . . . 63 THR C . 27594 2 212 . 2 2 63 63 THR CA C 13 63.018 0.085 . 1 . . . . . 63 THR CA . 27594 2 213 . 2 2 63 63 THR CB C 13 68.836 0.015 . 1 . . . . . 63 THR CB . 27594 2 214 . 2 2 63 63 THR N N 15 111.962 0.023 . 1 . . . . . 63 THR N . 27594 2 215 . 2 2 64 64 ASP H H 1 7.991 0.002 . 1 . . . . . 64 ASP H . 27594 2 216 . 2 2 64 64 ASP C C 13 173.747 0.000 . 1 . . . . . 64 ASP C . 27594 2 217 . 2 2 64 64 ASP CA C 13 52.197 0.000 . 1 . . . . . 64 ASP CA . 27594 2 218 . 2 2 64 64 ASP CB C 13 40.473 0.000 . 1 . . . . . 64 ASP CB . 27594 2 219 . 2 2 64 64 ASP N N 15 122.825 0.044 . 1 . . . . . 64 ASP N . 27594 2 220 . 2 2 65 65 PRO C C 13 173.783 0.067 . 1 . . . . . 65 PRO C . 27594 2 221 . 2 2 66 66 VAL H H 1 8.860 0.001 . 1 . . . . . 66 VAL H . 27594 2 222 . 2 2 66 66 VAL C C 13 173.732 0.001 . 1 . . . . . 66 VAL C . 27594 2 223 . 2 2 66 66 VAL CA C 13 60.606 0.031 . 1 . . . . . 66 VAL CA . 27594 2 224 . 2 2 66 66 VAL CB C 13 31.850 0.017 . 1 . . . . . 66 VAL CB . 27594 2 225 . 2 2 66 66 VAL N N 15 128.923 0.043 . 1 . . . . . 66 VAL N . 27594 2 226 . 2 2 67 67 ASP H H 1 9.307 0.001 . 1 . . . . . 67 ASP H . 27594 2 227 . 2 2 67 67 ASP C C 13 174.645 0.000 . 1 . . . . . 67 ASP C . 27594 2 228 . 2 2 67 67 ASP CA C 13 52.249 0.000 . 1 . . . . . 67 ASP CA . 27594 2 229 . 2 2 67 67 ASP CB C 13 40.758 0.000 . 1 . . . . . 67 ASP CB . 27594 2 230 . 2 2 67 67 ASP N N 15 125.244 0.038 . 1 . . . . . 67 ASP N . 27594 2 231 . 2 2 68 68 PHE C C 13 173.218 0.004 . 1 . . . . . 68 PHE C . 27594 2 232 . 2 2 68 68 PHE CA C 13 55.441 0.036 . 1 . . . . . 68 PHE CA . 27594 2 233 . 2 2 68 68 PHE CB C 13 40.305 0.040 . 1 . . . . . 68 PHE CB . 27594 2 234 . 2 2 69 69 THR H H 1 9.170 0.003 . 1 . . . . . 69 THR H . 27594 2 235 . 2 2 69 69 THR C C 13 174.027 0.001 . 1 . . . . . 69 THR C . 27594 2 236 . 2 2 69 69 THR CA C 13 57.989 0.007 . 1 . . . . . 69 THR CA . 27594 2 237 . 2 2 69 69 THR CB C 13 72.078 0.026 . 1 . . . . . 69 THR CB . 27594 2 238 . 2 2 69 69 THR N N 15 109.398 0.043 . 1 . . . . . 69 THR N . 27594 2 239 . 2 2 70 70 VAL H H 1 8.811 0.002 . 1 . . . . . 70 VAL H . 27594 2 240 . 2 2 70 70 VAL C C 13 174.819 0.006 . 1 . . . . . 70 VAL C . 27594 2 241 . 2 2 70 70 VAL CA C 13 60.204 0.039 . 1 . . . . . 70 VAL CA . 27594 2 242 . 2 2 70 70 VAL CB C 13 34.894 0.010 . 1 . . . . . 70 VAL CB . 27594 2 243 . 2 2 70 70 VAL N N 15 119.809 0.033 . 1 . . . . . 70 VAL N . 27594 2 244 . 2 2 71 71 ALA H H 1 8.916 0.001 . 1 . . . . . 71 ALA H . 27594 2 245 . 2 2 71 71 ALA C C 13 174.590 0.006 . 1 . . . . . 71 ALA C . 27594 2 246 . 2 2 71 71 ALA CA C 13 49.239 0.015 . 1 . . . . . 71 ALA CA . 27594 2 247 . 2 2 71 71 ALA CB C 13 22.005 0.018 . 1 . . . . . 71 ALA CB . 27594 2 248 . 2 2 71 71 ALA N N 15 129.005 0.023 . 1 . . . . . 71 ALA N . 27594 2 249 . 2 2 72 72 ILE H H 1 9.444 0.001 . 1 . . . . . 72 ILE H . 27594 2 250 . 2 2 72 72 ILE C C 13 177.088 0.000 . 1 . . . . . 72 ILE C . 27594 2 251 . 2 2 72 72 ILE CA C 13 60.219 0.000 . 1 . . . . . 72 ILE CA . 27594 2 252 . 2 2 72 72 ILE CB C 13 39.039 0.000 . 1 . . . . . 72 ILE CB . 27594 2 253 . 2 2 72 72 ILE N N 15 123.436 0.023 . 1 . . . . . 72 ILE N . 27594 2 254 . 2 2 73 73 ASP H H 1 8.145 0.001 . 1 . . . . . 73 ASP H . 27594 2 255 . 2 2 73 73 ASP C C 13 175.629 0.016 . 1 . . . . . 73 ASP C . 27594 2 256 . 2 2 73 73 ASP CA C 13 53.225 0.055 . 1 . . . . . 73 ASP CA . 27594 2 257 . 2 2 73 73 ASP CB C 13 41.325 0.024 . 1 . . . . . 73 ASP CB . 27594 2 258 . 2 2 73 73 ASP N N 15 129.767 0.025 . 1 . . . . . 73 ASP N . 27594 2 259 . 2 2 74 74 GLY H H 1 8.764 0.001 . 1 . . . . . 74 GLY H . 27594 2 260 . 2 2 74 74 GLY CA C 13 44.180 0.021 . 1 . . . . . 74 GLY CA . 27594 2 261 . 2 2 74 74 GLY N N 15 105.620 0.019 . 1 . . . . . 74 GLY N . 27594 2 262 . 2 2 75 75 GLY H H 1 8.415 0.001 . 1 . . . . . 75 GLY H . 27594 2 263 . 2 2 75 75 GLY C C 13 176.024 0.006 . 1 . . . . . 75 GLY C . 27594 2 264 . 2 2 75 75 GLY CA C 13 44.527 0.048 . 1 . . . . . 75 GLY CA . 27594 2 265 . 2 2 75 75 GLY N N 15 113.710 0.037 . 1 . . . . . 75 GLY N . 27594 2 266 . 2 2 76 76 GLU H H 1 11.285 0.002 . 1 . . . . . 76 GLU H . 27594 2 267 . 2 2 76 76 GLU C C 13 180.042 0.000 . 1 . . . . . 76 GLU C . 27594 2 268 . 2 2 76 76 GLU CA C 13 59.307 0.000 . 1 . . . . . 76 GLU CA . 27594 2 269 . 2 2 76 76 GLU CB C 13 29.424 0.000 . 1 . . . . . 76 GLU CB . 27594 2 270 . 2 2 76 76 GLU N N 15 124.019 0.024 . 1 . . . . . 76 GLU N . 27594 2 271 . 2 2 77 77 ARG H H 1 9.578 0.002 . 1 . . . . . 77 ARG H . 27594 2 272 . 2 2 77 77 ARG C C 13 177.352 0.010 . 1 . . . . . 77 ARG C . 27594 2 273 . 2 2 77 77 ARG CA C 13 51.651 0.024 . 1 . . . . . 77 ARG CA . 27594 2 274 . 2 2 77 77 ARG N N 15 127.150 0.039 . 1 . . . . . 77 ARG N . 27594 2 275 . 2 2 78 78 THR H H 1 7.785 0.001 . 1 . . . . . 78 THR H . 27594 2 276 . 2 2 78 78 THR C C 13 172.663 0.008 . 1 . . . . . 78 THR C . 27594 2 277 . 2 2 78 78 THR CA C 13 61.846 0.059 . 1 . . . . . 78 THR CA . 27594 2 278 . 2 2 78 78 THR CB C 13 69.776 0.025 . 1 . . . . . 78 THR CB . 27594 2 279 . 2 2 78 78 THR N N 15 119.415 0.034 . 1 . . . . . 78 THR N . 27594 2 280 . 2 2 79 79 ASP H H 1 8.715 0.000 . 1 . . . . . 79 ASP H . 27594 2 281 . 2 2 79 79 ASP C C 13 174.315 0.000 . 1 . . . . . 79 ASP C . 27594 2 282 . 2 2 79 79 ASP CA C 13 54.713 0.000 . 1 . . . . . 79 ASP CA . 27594 2 283 . 2 2 79 79 ASP CB C 13 42.310 0.000 . 1 . . . . . 79 ASP CB . 27594 2 284 . 2 2 79 79 ASP N N 15 121.296 0.015 . 1 . . . . . 79 ASP N . 27594 2 285 . 2 2 81 81 THR H H 1 8.251 0.000 . 1 . . . . . 81 THR H . 27594 2 286 . 2 2 81 81 THR C C 13 176.572 0.008 . 1 . . . . . 81 THR C . 27594 2 287 . 2 2 81 81 THR CA C 13 57.853 0.082 . 1 . . . . . 81 THR CA . 27594 2 288 . 2 2 81 81 THR CB C 13 70.950 0.047 . 1 . . . . . 81 THR CB . 27594 2 289 . 2 2 81 81 THR N N 15 108.122 0.001 . 1 . . . . . 81 THR N . 27594 2 290 . 2 2 82 82 LEU H H 1 9.350 0.001 . 1 . . . . . 82 LEU H . 27594 2 291 . 2 2 82 82 LEU C C 13 176.251 0.010 . 1 . . . . . 82 LEU C . 27594 2 292 . 2 2 82 82 LEU CA C 13 54.934 0.052 . 1 . . . . . 82 LEU CA . 27594 2 293 . 2 2 82 82 LEU CB C 13 43.660 0.013 . 1 . . . . . 82 LEU CB . 27594 2 294 . 2 2 82 82 LEU N N 15 125.144 0.057 . 1 . . . . . 82 LEU N . 27594 2 295 . 2 2 83 83 LYS H H 1 8.505 0.002 . 1 . . . . . 83 LYS H . 27594 2 296 . 2 2 83 83 LYS C C 13 175.913 0.004 . 1 . . . . . 83 LYS C . 27594 2 297 . 2 2 83 83 LYS CA C 13 54.344 0.039 . 1 . . . . . 83 LYS CA . 27594 2 298 . 2 2 83 83 LYS CB C 13 34.988 0.003 . 1 . . . . . 83 LYS CB . 27594 2 299 . 2 2 83 83 LYS N N 15 122.412 0.058 . 1 . . . . . 83 LYS N . 27594 2 300 . 2 2 84 84 ASN H H 1 8.473 0.001 . 1 . . . . . 84 ASN H . 27594 2 301 . 2 2 84 84 ASN C C 13 175.701 0.005 . 1 . . . . . 84 ASN C . 27594 2 302 . 2 2 84 84 ASN CA C 13 52.508 0.038 . 1 . . . . . 84 ASN CA . 27594 2 303 . 2 2 84 84 ASN CB C 13 38.682 0.023 . 1 . . . . . 84 ASN CB . 27594 2 304 . 2 2 84 84 ASN N N 15 131.096 0.024 . 1 . . . . . 84 ASN N . 27594 2 305 . 2 2 85 85 THR H H 1 8.545 0.001 . 1 . . . . . 85 THR H . 27594 2 306 . 2 2 85 85 THR C C 13 175.520 0.000 . 1 . . . . . 85 THR C . 27594 2 307 . 2 2 85 85 THR CA C 13 64.048 0.000 . 1 . . . . . 85 THR CA . 27594 2 308 . 2 2 85 85 THR CB C 13 68.552 0.000 . 1 . . . . . 85 THR CB . 27594 2 309 . 2 2 85 85 THR N N 15 118.029 0.010 . 1 . . . . . 85 THR N . 27594 2 310 . 2 2 86 86 ALA H H 1 8.486 0.001 . 1 . . . . . 86 ALA H . 27594 2 311 . 2 2 86 86 ALA C C 13 176.787 0.005 . 1 . . . . . 86 ALA C . 27594 2 312 . 2 2 86 86 ALA CA C 13 51.895 0.022 . 1 . . . . . 86 ALA CA . 27594 2 313 . 2 2 86 86 ALA CB C 13 19.853 0.015 . 1 . . . . . 86 ALA CB . 27594 2 314 . 2 2 86 86 ALA N N 15 123.153 0.041 . 1 . . . . . 86 ALA N . 27594 2 315 . 2 2 87 87 SER H H 1 7.400 0.000 . 1 . . . . . 87 SER H . 27594 2 316 . 2 2 87 87 SER C C 13 172.881 0.009 . 1 . . . . . 87 SER C . 27594 2 317 . 2 2 87 87 SER CA C 13 57.412 0.078 . 1 . . . . . 87 SER CA . 27594 2 318 . 2 2 87 87 SER CB C 13 64.485 0.057 . 1 . . . . . 87 SER CB . 27594 2 319 . 2 2 87 87 SER N N 15 113.870 0.041 . 1 . . . . . 87 SER N . 27594 2 320 . 2 2 88 88 ALA H H 1 8.214 0.002 . 1 . . . . . 88 ALA H . 27594 2 321 . 2 2 88 88 ALA C C 13 177.246 0.006 . 1 . . . . . 88 ALA C . 27594 2 322 . 2 2 88 88 ALA CA C 13 52.519 0.021 . 1 . . . . . 88 ALA CA . 27594 2 323 . 2 2 88 88 ALA CB C 13 18.029 0.019 . 1 . . . . . 88 ALA CB . 27594 2 324 . 2 2 88 88 ALA N N 15 119.731 0.131 . 1 . . . . . 88 ALA N . 27594 2 325 . 2 2 89 89 ASP H H 1 8.131 0.000 . 1 . . . . . 89 ASP H . 27594 2 326 . 2 2 89 89 ASP C C 13 174.746 0.004 . 1 . . . . . 89 ASP C . 27594 2 327 . 2 2 89 89 ASP CA C 13 55.552 0.041 . 1 . . . . . 89 ASP CA . 27594 2 328 . 2 2 89 89 ASP CB C 13 42.467 0.007 . 1 . . . . . 89 ASP CB . 27594 2 329 . 2 2 89 89 ASP N N 15 118.443 0.000 . 1 . . . . . 89 ASP N . 27594 2 330 . 2 2 90 90 VAL H H 1 8.314 0.001 . 1 . . . . . 90 VAL H . 27594 2 331 . 2 2 90 90 VAL C C 13 175.886 0.005 . 1 . . . . . 90 VAL C . 27594 2 332 . 2 2 90 90 VAL CA C 13 57.601 0.013 . 1 . . . . . 90 VAL CA . 27594 2 333 . 2 2 90 90 VAL CB C 13 36.007 0.027 . 1 . . . . . 90 VAL CB . 27594 2 334 . 2 2 90 90 VAL N N 15 111.739 0.033 . 1 . . . . . 90 VAL N . 27594 2 335 . 2 2 91 91 VAL H H 1 8.661 0.001 . 1 . . . . . 91 VAL H . 27594 2 336 . 2 2 91 91 VAL C C 13 175.072 0.005 . 1 . . . . . 91 VAL C . 27594 2 337 . 2 2 91 91 VAL CA C 13 60.913 0.096 . 1 . . . . . 91 VAL CA . 27594 2 338 . 2 2 91 91 VAL CB C 13 35.239 0.036 . 1 . . . . . 91 VAL CB . 27594 2 339 . 2 2 91 91 VAL N N 15 120.400 0.034 . 1 . . . . . 91 VAL N . 27594 2 340 . 2 2 92 92 ALA H H 1 8.851 0.002 . 1 . . . . . 92 ALA H . 27594 2 341 . 2 2 92 92 ALA C C 13 176.784 0.000 . 1 . . . . . 92 ALA C . 27594 2 342 . 2 2 92 92 ALA CA C 13 52.237 0.000 . 1 . . . . . 92 ALA CA . 27594 2 343 . 2 2 92 92 ALA CB C 13 18.293 0.000 . 1 . . . . . 92 ALA CB . 27594 2 344 . 2 2 92 92 ALA N N 15 132.083 0.025 . 1 . . . . . 92 ALA N . 27594 2 345 . 2 2 95 95 VAL C C 13 173.438 0.007 . 1 . . . . . 95 VAL C . 27594 2 346 . 2 2 95 95 VAL CA C 13 58.676 0.026 . 1 . . . . . 95 VAL CA . 27594 2 347 . 2 2 95 95 VAL CB C 13 34.995 0.000 . 1 . . . . . 95 VAL CB . 27594 2 348 . 2 2 96 96 TYR H H 1 9.632 0.003 . 1 . . . . . 96 TYR H . 27594 2 349 . 2 2 96 96 TYR C C 13 174.756 0.008 . 1 . . . . . 96 TYR C . 27594 2 350 . 2 2 96 96 TYR CA C 13 56.641 0.027 . 1 . . . . . 96 TYR CA . 27594 2 351 . 2 2 96 96 TYR CB C 13 42.758 0.061 . 1 . . . . . 96 TYR CB . 27594 2 352 . 2 2 96 96 TYR N N 15 119.969 0.023 . 1 . . . . . 96 TYR N . 27594 2 353 . 2 2 97 97 ARG H H 1 8.706 0.001 . 1 . . . . . 97 ARG H . 27594 2 354 . 2 2 97 97 ARG C C 13 173.828 0.005 . 1 . . . . . 97 ARG C . 27594 2 355 . 2 2 97 97 ARG CA C 13 55.868 0.025 . 1 . . . . . 97 ARG CA . 27594 2 356 . 2 2 97 97 ARG CB C 13 30.958 0.033 . 1 . . . . . 97 ARG CB . 27594 2 357 . 2 2 97 97 ARG N N 15 121.543 0.000 . 1 . . . . . 97 ARG N . 27594 2 358 . 2 2 98 98 ASP H H 1 9.037 0.001 . 1 . . . . . 98 ASP H . 27594 2 359 . 2 2 98 98 ASP C C 13 175.379 0.010 . 1 . . . . . 98 ASP C . 27594 2 360 . 2 2 98 98 ASP CA C 13 50.320 0.015 . 1 . . . . . 98 ASP CA . 27594 2 361 . 2 2 98 98 ASP CB C 13 41.700 0.013 . 1 . . . . . 98 ASP CB . 27594 2 362 . 2 2 98 98 ASP N N 15 115.007 0.039 . 1 . . . . . 98 ASP N . 27594 2 363 . 2 2 99 99 ALA H H 1 7.953 0.002 . 1 . . . . . 99 ALA H . 27594 2 364 . 2 2 99 99 ALA C C 13 179.447 0.003 . 1 . . . . . 99 ALA C . 27594 2 365 . 2 2 99 99 ALA CA C 13 53.250 0.038 . 1 . . . . . 99 ALA CA . 27594 2 366 . 2 2 99 99 ALA CB C 13 17.044 0.001 . 1 . . . . . 99 ALA CB . 27594 2 367 . 2 2 99 99 ALA N N 15 126.084 0.023 . 1 . . . . . 99 ALA N . 27594 2 368 . 2 2 100 100 ALA H H 1 7.253 0.002 . 1 . . . . . 100 ALA H . 27594 2 369 . 2 2 100 100 ALA CA C 13 51.749 0.000 . 1 . . . . . 100 ALA CA . 27594 2 370 . 2 2 100 100 ALA CB C 13 17.218 0.000 . 1 . . . . . 100 ALA CB . 27594 2 371 . 2 2 100 100 ALA N N 15 116.101 0.025 . 1 . . . . . 100 ALA N . 27594 2 372 . 2 2 102 102 THR C C 13 175.597 0.011 . 1 . . . . . 102 THR C . 27594 2 373 . 2 2 102 102 THR CA C 13 62.162 0.000 . 1 . . . . . 102 THR CA . 27594 2 374 . 2 2 102 102 THR CB C 13 70.375 0.042 . 1 . . . . . 102 THR CB . 27594 2 375 . 2 2 103 103 ASN H H 1 9.835 0.001 . 1 . . . . . 103 ASN H . 27594 2 376 . 2 2 103 103 ASN C C 13 173.418 0.003 . 1 . . . . . 103 ASN C . 27594 2 377 . 2 2 103 103 ASN CA C 13 50.828 0.010 . 1 . . . . . 103 ASN CA . 27594 2 378 . 2 2 103 103 ASN CB C 13 36.951 0.013 . 1 . . . . . 103 ASN CB . 27594 2 379 . 2 2 103 103 ASN N N 15 126.981 0.035 . 1 . . . . . 103 ASN N . 27594 2 380 . 2 2 104 104 LEU H H 1 8.130 0.001 . 1 . . . . . 104 LEU H . 27594 2 381 . 2 2 104 104 LEU C C 13 177.859 0.009 . 1 . . . . . 104 LEU C . 27594 2 382 . 2 2 104 104 LEU CA C 13 55.249 0.011 . 1 . . . . . 104 LEU CA . 27594 2 383 . 2 2 104 104 LEU CB C 13 43.488 0.025 . 1 . . . . . 104 LEU CB . 27594 2 384 . 2 2 104 104 LEU N N 15 125.793 0.025 . 1 . . . . . 104 LEU N . 27594 2 385 . 2 2 105 105 TYR H H 1 7.879 0.002 . 1 . . . . . 105 TYR H . 27594 2 386 . 2 2 105 105 TYR C C 13 175.880 0.002 . 1 . . . . . 105 TYR C . 27594 2 387 . 2 2 105 105 TYR CA C 13 57.610 0.025 . 1 . . . . . 105 TYR CA . 27594 2 388 . 2 2 105 105 TYR CB C 13 35.572 0.042 . 1 . . . . . 105 TYR CB . 27594 2 389 . 2 2 105 105 TYR N N 15 122.497 0.023 . 1 . . . . . 105 TYR N . 27594 2 390 . 2 2 106 106 VAL H H 1 8.950 0.003 . 1 . . . . . 106 VAL H . 27594 2 391 . 2 2 106 106 VAL C C 13 178.012 0.004 . 1 . . . . . 106 VAL C . 27594 2 392 . 2 2 106 106 VAL CA C 13 63.338 0.072 . 1 . . . . . 106 VAL CA . 27594 2 393 . 2 2 106 106 VAL CB C 13 30.450 0.062 . 1 . . . . . 106 VAL CB . 27594 2 394 . 2 2 106 106 VAL N N 15 134.608 0.036 . 1 . . . . . 106 VAL N . 27594 2 395 . 2 2 107 107 VAL H H 1 8.745 0.001 . 1 . . . . . 107 VAL H . 27594 2 396 . 2 2 107 107 VAL C C 13 177.149 0.002 . 1 . . . . . 107 VAL C . 27594 2 397 . 2 2 107 107 VAL CA C 13 65.330 0.037 . 1 . . . . . 107 VAL CA . 27594 2 398 . 2 2 107 107 VAL CB C 13 30.109 0.063 . 1 . . . . . 107 VAL CB . 27594 2 399 . 2 2 107 107 VAL N N 15 130.303 0.022 . 1 . . . . . 107 VAL N . 27594 2 400 . 2 2 108 108 ASN H H 1 8.652 0.001 . 1 . . . . . 108 ASN H . 27594 2 401 . 2 2 108 108 ASN C C 13 173.769 0.006 . 1 . . . . . 108 ASN C . 27594 2 402 . 2 2 108 108 ASN CA C 13 54.812 0.010 . 1 . . . . . 108 ASN CA . 27594 2 403 . 2 2 108 108 ASN CB C 13 36.726 0.003 . 1 . . . . . 108 ASN CB . 27594 2 404 . 2 2 108 108 ASN N N 15 119.193 0.043 . 1 . . . . . 108 ASN N . 27594 2 405 . 2 2 109 109 GLN H H 1 8.389 0.001 . 1 . . . . . 109 GLN H . 27594 2 406 . 2 2 109 109 GLN C C 13 174.401 0.000 . 1 . . . . . 109 GLN C . 27594 2 407 . 2 2 109 109 GLN CA C 13 52.397 0.000 . 1 . . . . . 109 GLN CA . 27594 2 408 . 2 2 109 109 GLN CB C 13 28.896 0.000 . 1 . . . . . 109 GLN CB . 27594 2 409 . 2 2 109 109 GLN N N 15 121.745 0.028 . 1 . . . . . 109 GLN N . 27594 2 410 . 2 2 110 110 PRO CA C 13 62.793 0.000 . 1 . . . . . 110 PRO CA . 27594 2 411 . 2 2 110 110 PRO CB C 13 32.106 0.000 . 1 . . . . . 110 PRO CB . 27594 2 412 . 2 2 111 111 GLN H H 1 9.111 0.001 . 1 . . . . . 111 GLN H . 27594 2 413 . 2 2 111 111 GLN C C 13 175.513 0.007 . 1 . . . . . 111 GLN C . 27594 2 414 . 2 2 111 111 GLN CA C 13 54.620 0.057 . 1 . . . . . 111 GLN CA . 27594 2 415 . 2 2 111 111 GLN CB C 13 30.432 0.007 . 1 . . . . . 111 GLN CB . 27594 2 416 . 2 2 111 111 GLN N N 15 120.488 0.026 . 1 . . . . . 111 GLN N . 27594 2 417 . 2 2 112 112 GLN H H 1 8.743 0.001 . 1 . . . . . 112 GLN H . 27594 2 418 . 2 2 112 112 GLN C C 13 174.724 0.006 . 1 . . . . . 112 GLN C . 27594 2 419 . 2 2 112 112 GLN CA C 13 56.655 0.008 . 1 . . . . . 112 GLN CA . 27594 2 420 . 2 2 112 112 GLN CB C 13 29.481 0.014 . 1 . . . . . 112 GLN CB . 27594 2 421 . 2 2 112 112 GLN N N 15 121.620 0.036 . 1 . . . . . 112 GLN N . 27594 2 422 . 2 2 113 113 PHE H H 1 8.901 0.001 . 1 . . . . . 113 PHE H . 27594 2 423 . 2 2 113 113 PHE C C 13 174.040 0.001 . 1 . . . . . 113 PHE C . 27594 2 424 . 2 2 113 113 PHE CA C 13 56.705 0.035 . 1 . . . . . 113 PHE CA . 27594 2 425 . 2 2 113 113 PHE CB C 13 43.226 0.044 . 1 . . . . . 113 PHE CB . 27594 2 426 . 2 2 113 113 PHE N N 15 126.664 0.038 . 1 . . . . . 113 PHE N . 27594 2 427 . 2 2 114 114 THR H H 1 8.095 0.001 . 1 . . . . . 114 THR H . 27594 2 428 . 2 2 114 114 THR C C 13 174.427 0.016 . 1 . . . . . 114 THR C . 27594 2 429 . 2 2 114 114 THR CA C 13 61.122 0.072 . 1 . . . . . 114 THR CA . 27594 2 430 . 2 2 114 114 THR CB C 13 71.434 0.022 . 1 . . . . . 114 THR CB . 27594 2 431 . 2 2 114 114 THR N N 15 114.620 0.036 . 1 . . . . . 114 THR N . 27594 2 432 . 2 2 115 115 THR H H 1 9.003 0.002 . 1 . . . . . 115 THR H . 27594 2 433 . 2 2 115 115 THR C C 13 172.426 0.019 . 1 . . . . . 115 THR C . 27594 2 434 . 2 2 115 115 THR CA C 13 60.680 0.035 . 1 . . . . . 115 THR CA . 27594 2 435 . 2 2 115 115 THR CB C 13 70.449 0.019 . 1 . . . . . 115 THR CB . 27594 2 436 . 2 2 115 115 THR N N 15 119.473 0.037 . 1 . . . . . 115 THR N . 27594 2 437 . 2 2 116 116 VAL H H 1 8.490 0.001 . 1 . . . . . 116 VAL H . 27594 2 438 . 2 2 116 116 VAL C C 13 175.703 0.003 . 1 . . . . . 116 VAL C . 27594 2 439 . 2 2 116 116 VAL CA C 13 60.404 0.021 . 1 . . . . . 116 VAL CA . 27594 2 440 . 2 2 116 116 VAL CB C 13 33.799 0.019 . 1 . . . . . 116 VAL CB . 27594 2 441 . 2 2 116 116 VAL N N 15 121.294 0.046 . 1 . . . . . 116 VAL N . 27594 2 442 . 2 2 117 117 SER H H 1 8.400 0.001 . 1 . . . . . 117 SER H . 27594 2 443 . 2 2 117 117 SER C C 13 176.329 0.000 . 1 . . . . . 117 SER C . 27594 2 444 . 2 2 117 117 SER CA C 13 59.390 0.048 . 1 . . . . . 117 SER CA . 27594 2 445 . 2 2 117 117 SER CB C 13 62.523 0.074 . 1 . . . . . 117 SER CB . 27594 2 446 . 2 2 117 117 SER N N 15 119.353 0.054 . 1 . . . . . 117 SER N . 27594 2 447 . 2 2 118 118 GLY H H 1 8.874 0.001 . 1 . . . . . 118 GLY H . 27594 2 448 . 2 2 118 118 GLY C C 13 173.838 0.000 . 1 . . . . . 118 GLY C . 27594 2 449 . 2 2 118 118 GLY CA C 13 45.283 0.033 . 1 . . . . . 118 GLY CA . 27594 2 450 . 2 2 118 118 GLY N N 15 113.297 0.009 . 1 . . . . . 118 GLY N . 27594 2 451 . 2 2 119 119 GLN H H 1 8.007 0.000 . 1 . . . . . 119 GLN H . 27594 2 452 . 2 2 119 119 GLN C C 13 174.987 0.004 . 1 . . . . . 119 GLN C . 27594 2 453 . 2 2 119 119 GLN CA C 13 53.638 0.024 . 1 . . . . . 119 GLN CA . 27594 2 454 . 2 2 119 119 GLN CB C 13 30.586 0.020 . 1 . . . . . 119 GLN CB . 27594 2 455 . 2 2 119 119 GLN N N 15 118.632 0.000 . 1 . . . . . 119 GLN N . 27594 2 456 . 2 2 120 120 ALA H H 1 8.714 0.001 . 1 . . . . . 120 ALA H . 27594 2 457 . 2 2 120 120 ALA C C 13 178.220 0.005 . 1 . . . . . 120 ALA C . 27594 2 458 . 2 2 120 120 ALA CA C 13 51.891 0.038 . 1 . . . . . 120 ALA CA . 27594 2 459 . 2 2 120 120 ALA CB C 13 18.981 0.044 . 1 . . . . . 120 ALA CB . 27594 2 460 . 2 2 120 120 ALA N N 15 127.761 0.009 . 1 . . . . . 120 ALA N . 27594 2 461 . 2 2 121 121 THR H H 1 9.146 0.001 . 1 . . . . . 121 THR H . 27594 2 462 . 2 2 121 121 THR C C 13 173.268 0.009 . 1 . . . . . 121 THR C . 27594 2 463 . 2 2 121 121 THR CA C 13 62.104 0.032 . 1 . . . . . 121 THR CA . 27594 2 464 . 2 2 121 121 THR CB C 13 70.032 0.018 . 1 . . . . . 121 THR CB . 27594 2 465 . 2 2 121 121 THR N N 15 121.851 0.034 . 1 . . . . . 121 THR N . 27594 2 466 . 2 2 122 122 ALA H H 1 8.739 0.000 . 1 . . . . . 122 ALA H . 27594 2 467 . 2 2 122 122 ALA C C 13 176.719 0.009 . 1 . . . . . 122 ALA C . 27594 2 468 . 2 2 122 122 ALA CA C 13 51.419 0.025 . 1 . . . . . 122 ALA CA . 27594 2 469 . 2 2 122 122 ALA CB C 13 19.022 0.016 . 1 . . . . . 122 ALA CB . 27594 2 470 . 2 2 122 122 ALA N N 15 130.515 0.000 . 1 . . . . . 122 ALA N . 27594 2 471 . 2 2 123 123 VAL H H 1 8.128 0.001 . 1 . . . . . 123 VAL H . 27594 2 472 . 2 2 123 123 VAL C C 13 172.524 0.000 . 1 . . . . . 123 VAL C . 27594 2 473 . 2 2 123 123 VAL CA C 13 58.603 0.000 . 1 . . . . . 123 VAL CA . 27594 2 474 . 2 2 123 123 VAL CB C 13 30.544 0.000 . 1 . . . . . 123 VAL CB . 27594 2 475 . 2 2 123 123 VAL N N 15 123.254 0.025 . 1 . . . . . 123 VAL N . 27594 2 476 . 2 2 124 124 PRO C C 13 176.822 0.002 . 1 . . . . . 124 PRO C . 27594 2 477 . 2 2 124 124 PRO CA C 13 62.254 0.023 . 1 . . . . . 124 PRO CA . 27594 2 478 . 2 2 124 124 PRO CB C 13 32.114 0.045 . 1 . . . . . 124 PRO CB . 27594 2 479 . 2 2 125 125 ILE H H 1 7.642 0.001 . 1 . . . . . 125 ILE H . 27594 2 480 . 2 2 125 125 ILE C C 13 173.542 0.010 . 1 . . . . . 125 ILE C . 27594 2 481 . 2 2 125 125 ILE CA C 13 61.856 0.001 . 1 . . . . . 125 ILE CA . 27594 2 482 . 2 2 125 125 ILE CB C 13 39.778 0.006 . 1 . . . . . 125 ILE CB . 27594 2 483 . 2 2 125 125 ILE N N 15 120.939 0.035 . 1 . . . . . 125 ILE N . 27594 2 484 . 2 2 126 126 PHE H H 1 9.485 0.004 . 1 . . . . . 126 PHE H . 27594 2 485 . 2 2 126 126 PHE C C 13 176.609 0.012 . 1 . . . . . 126 PHE C . 27594 2 486 . 2 2 126 126 PHE CA C 13 56.862 0.056 . 1 . . . . . 126 PHE CA . 27594 2 487 . 2 2 126 126 PHE CB C 13 39.553 0.030 . 1 . . . . . 126 PHE CB . 27594 2 488 . 2 2 126 126 PHE N N 15 126.229 0.029 . 1 . . . . . 126 PHE N . 27594 2 489 . 2 2 127 127 GLY H H 1 9.548 0.001 . 1 . . . . . 127 GLY H . 27594 2 490 . 2 2 127 127 GLY C C 13 173.979 0.011 . 1 . . . . . 127 GLY C . 27594 2 491 . 2 2 127 127 GLY CA C 13 44.145 0.004 . 1 . . . . . 127 GLY CA . 27594 2 492 . 2 2 127 127 GLY N N 15 109.486 0.043 . 1 . . . . . 127 GLY N . 27594 2 493 . 2 2 128 128 ALA H H 1 9.057 0.002 . 1 . . . . . 128 ALA H . 27594 2 494 . 2 2 128 128 ALA C C 13 175.809 0.008 . 1 . . . . . 128 ALA C . 27594 2 495 . 2 2 128 128 ALA CA C 13 52.227 0.003 . 1 . . . . . 128 ALA CA . 27594 2 496 . 2 2 128 128 ALA CB C 13 23.194 0.052 . 1 . . . . . 128 ALA CB . 27594 2 497 . 2 2 128 128 ALA N N 15 123.514 0.033 . 1 . . . . . 128 ALA N . 27594 2 498 . 2 2 129 129 ILE H H 1 9.067 0.001 . 1 . . . . . 129 ILE H . 27594 2 499 . 2 2 129 129 ILE C C 13 174.220 0.005 . 1 . . . . . 129 ILE C . 27594 2 500 . 2 2 129 129 ILE CA C 13 61.019 0.035 . 1 . . . . . 129 ILE CA . 27594 2 501 . 2 2 129 129 ILE CB C 13 41.123 0.013 . 1 . . . . . 129 ILE CB . 27594 2 502 . 2 2 129 129 ILE N N 15 124.686 0.039 . 1 . . . . . 129 ILE N . 27594 2 503 . 2 2 130 130 ALA H H 1 8.603 0.001 . 1 . . . . . 130 ALA H . 27594 2 504 . 2 2 130 130 ALA C C 13 175.253 0.000 . 1 . . . . . 130 ALA C . 27594 2 505 . 2 2 130 130 ALA CA C 13 51.413 0.000 . 1 . . . . . 130 ALA CA . 27594 2 506 . 2 2 130 130 ALA CB C 13 16.456 0.000 . 1 . . . . . 130 ALA CB . 27594 2 507 . 2 2 130 130 ALA N N 15 129.248 0.030 . 1 . . . . . 130 ALA N . 27594 2 508 . 2 2 131 131 PRO C C 13 175.048 0.007 . 1 . . . . . 131 PRO C . 27594 2 509 . 2 2 131 131 PRO CA C 13 63.784 0.000 . 1 . . . . . 131 PRO CA . 27594 2 510 . 2 2 131 131 PRO CB C 13 31.569 0.000 . 1 . . . . . 131 PRO CB . 27594 2 511 . 2 2 132 132 ASN H H 1 6.603 0.001 . 1 . . . . . 132 ASN H . 27594 2 512 . 2 2 132 132 ASN C C 13 173.667 0.006 . 1 . . . . . 132 ASN C . 27594 2 513 . 2 2 132 132 ASN CA C 13 51.130 0.041 . 1 . . . . . 132 ASN CA . 27594 2 514 . 2 2 132 132 ASN CB C 13 38.445 0.054 . 1 . . . . . 132 ASN CB . 27594 2 515 . 2 2 132 132 ASN N N 15 119.472 0.039 . 1 . . . . . 132 ASN N . 27594 2 516 . 2 2 133 133 THR H H 1 8.318 0.001 . 1 . . . . . 133 THR H . 27594 2 517 . 2 2 133 133 THR C C 13 175.155 0.003 . 1 . . . . . 133 THR C . 27594 2 518 . 2 2 133 133 THR CA C 13 60.711 0.061 . 1 . . . . . 133 THR CA . 27594 2 519 . 2 2 133 133 THR CB C 13 68.504 0.068 . 1 . . . . . 133 THR CB . 27594 2 520 . 2 2 133 133 THR N N 15 114.127 0.033 . 1 . . . . . 133 THR N . 27594 2 521 . 2 2 134 134 GLY H H 1 7.524 0.001 . 1 . . . . . 134 GLY H . 27594 2 522 . 2 2 134 134 GLY C C 13 173.277 0.002 . 1 . . . . . 134 GLY C . 27594 2 523 . 2 2 134 134 GLY CA C 13 44.583 0.042 . 1 . . . . . 134 GLY CA . 27594 2 524 . 2 2 134 134 GLY N N 15 110.679 0.033 . 1 . . . . . 134 GLY N . 27594 2 525 . 2 2 135 135 THR H H 1 7.907 0.001 . 1 . . . . . 135 THR H . 27594 2 526 . 2 2 135 135 THR C C 13 172.581 0.000 . 1 . . . . . 135 THR C . 27594 2 527 . 2 2 135 135 THR CA C 13 59.497 0.000 . 1 . . . . . 135 THR CA . 27594 2 528 . 2 2 135 135 THR CB C 13 69.278 0.000 . 1 . . . . . 135 THR CB . 27594 2 529 . 2 2 135 135 THR N N 15 119.662 0.039 . 1 . . . . . 135 THR N . 27594 2 530 . 2 2 136 136 PRO C C 13 177.433 0.005 . 1 . . . . . 136 PRO C . 27594 2 531 . 2 2 136 136 PRO CA C 13 62.050 0.070 . 1 . . . . . 136 PRO CA . 27594 2 532 . 2 2 136 136 PRO CB C 13 31.448 0.024 . 1 . . . . . 136 PRO CB . 27594 2 533 . 2 2 137 137 LYS H H 1 8.500 0.001 . 1 . . . . . 137 LYS H . 27594 2 534 . 2 2 137 137 LYS C C 13 178.277 0.013 . 1 . . . . . 137 LYS C . 27594 2 535 . 2 2 137 137 LYS CA C 13 53.039 0.000 . 1 . . . . . 137 LYS CA . 27594 2 536 . 2 2 137 137 LYS CB C 13 31.779 0.000 . 1 . . . . . 137 LYS CB . 27594 2 537 . 2 2 137 137 LYS N N 15 123.382 0.037 . 1 . . . . . 137 LYS N . 27594 2 538 . 2 2 138 138 ALA H H 1 8.693 0.002 . 1 . . . . . 138 ALA H . 27594 2 539 . 2 2 138 138 ALA C C 13 178.497 0.000 . 1 . . . . . 138 ALA C . 27594 2 540 . 2 2 138 138 ALA CA C 13 52.228 0.026 . 1 . . . . . 138 ALA CA . 27594 2 541 . 2 2 138 138 ALA CB C 13 18.780 0.026 . 1 . . . . . 138 ALA CB . 27594 2 542 . 2 2 138 138 ALA N N 15 127.504 0.026 . 1 . . . . . 138 ALA N . 27594 2 543 . 2 2 139 139 GLN H H 1 8.549 0.000 . 1 . . . . . 139 GLN H . 27594 2 544 . 2 2 139 139 GLN C C 13 175.877 0.001 . 1 . . . . . 139 GLN C . 27594 2 545 . 2 2 139 139 GLN CA C 13 55.966 0.036 . 1 . . . . . 139 GLN CA . 27594 2 546 . 2 2 139 139 GLN CB C 13 28.753 0.012 . 1 . . . . . 139 GLN CB . 27594 2 547 . 2 2 139 139 GLN N N 15 119.442 0.000 . 1 . . . . . 139 GLN N . 27594 2 548 . 2 2 140 140 GLY H H 1 8.535 0.002 . 1 . . . . . 140 GLY H . 27594 2 549 . 2 2 140 140 GLY C C 13 171.085 0.005 . 1 . . . . . 140 GLY C . 27594 2 550 . 2 2 140 140 GLY CA C 13 44.244 0.030 . 1 . . . . . 140 GLY CA . 27594 2 551 . 2 2 140 140 GLY N N 15 111.272 0.029 . 1 . . . . . 140 GLY N . 27594 2 552 . 2 2 141 141 ASP H H 1 8.139 0.001 . 1 . . . . . 141 ASP H . 27594 2 553 . 2 2 141 141 ASP C C 13 175.393 0.000 . 1 . . . . . 141 ASP C . 27594 2 554 . 2 2 141 141 ASP CA C 13 52.844 0.000 . 1 . . . . . 141 ASP CA . 27594 2 555 . 2 2 141 141 ASP N N 15 119.740 0.031 . 1 . . . . . 141 ASP N . 27594 2 556 . 2 2 142 142 TYR C C 13 176.025 0.000 . 1 . . . . . 142 TYR C . 27594 2 557 . 2 2 142 142 TYR CA C 13 57.058 0.030 . 1 . . . . . 142 TYR CA . 27594 2 558 . 2 2 142 142 TYR CB C 13 39.718 0.008 . 1 . . . . . 142 TYR CB . 27594 2 559 . 2 2 143 143 LYS H H 1 7.997 0.001 . 1 . . . . . 143 LYS H . 27594 2 560 . 2 2 143 143 LYS C C 13 176.548 0.007 . 1 . . . . . 143 LYS C . 27594 2 561 . 2 2 143 143 LYS CA C 13 55.125 0.023 . 1 . . . . . 143 LYS CA . 27594 2 562 . 2 2 143 143 LYS CB C 13 37.433 0.041 . 1 . . . . . 143 LYS CB . 27594 2 563 . 2 2 143 143 LYS N N 15 119.333 0.036 . 1 . . . . . 143 LYS N . 27594 2 564 . 2 2 144 144 ASP H H 1 7.688 0.001 . 1 . . . . . 144 ASP H . 27594 2 565 . 2 2 144 144 ASP C C 13 174.786 0.004 . 1 . . . . . 144 ASP C . 27594 2 566 . 2 2 144 144 ASP CA C 13 53.194 0.004 . 1 . . . . . 144 ASP CA . 27594 2 567 . 2 2 144 144 ASP CB C 13 43.701 0.004 . 1 . . . . . 144 ASP CB . 27594 2 568 . 2 2 144 144 ASP N N 15 115.204 0.044 . 1 . . . . . 144 ASP N . 27594 2 569 . 2 2 145 145 THR H H 1 9.119 0.000 . 1 . . . . . 145 THR H . 27594 2 570 . 2 2 145 145 THR C C 13 173.252 0.003 . 1 . . . . . 145 THR C . 27594 2 571 . 2 2 145 145 THR CA C 13 61.326 0.075 . 1 . . . . . 145 THR CA . 27594 2 572 . 2 2 145 145 THR CB C 13 70.886 0.047 . 1 . . . . . 145 THR CB . 27594 2 573 . 2 2 145 145 THR N N 15 120.521 0.000 . 1 . . . . . 145 THR N . 27594 2 574 . 2 2 146 146 LEU H H 1 8.752 0.001 . 1 . . . . . 146 LEU H . 27594 2 575 . 2 2 146 146 LEU C C 13 174.540 0.011 . 1 . . . . . 146 LEU C . 27594 2 576 . 2 2 146 146 LEU CA C 13 52.596 0.023 . 1 . . . . . 146 LEU CA . 27594 2 577 . 2 2 146 146 LEU CB C 13 44.185 0.015 . 1 . . . . . 146 LEU CB . 27594 2 578 . 2 2 146 146 LEU N N 15 127.466 0.031 . 1 . . . . . 146 LEU N . 27594 2 579 . 2 2 147 147 LEU H H 1 8.576 0.001 . 1 . . . . . 147 LEU H . 27594 2 580 . 2 2 147 147 LEU C C 13 176.495 0.010 . 1 . . . . . 147 LEU C . 27594 2 581 . 2 2 147 147 LEU CA C 13 53.599 0.023 . 1 . . . . . 147 LEU CA . 27594 2 582 . 2 2 147 147 LEU CB C 13 42.925 0.012 . 1 . . . . . 147 LEU CB . 27594 2 583 . 2 2 147 147 LEU N N 15 126.309 0.029 . 1 . . . . . 147 LEU N . 27594 2 584 . 2 2 148 148 VAL H H 1 8.985 0.001 . 1 . . . . . 148 VAL H . 27594 2 585 . 2 2 148 148 VAL C C 13 173.759 0.084 . 1 . . . . . 148 VAL C . 27594 2 586 . 2 2 148 148 VAL CA C 13 60.996 0.001 . 1 . . . . . 148 VAL CA . 27594 2 587 . 2 2 148 148 VAL CB C 13 31.017 0.024 . 1 . . . . . 148 VAL CB . 27594 2 588 . 2 2 148 148 VAL N N 15 132.591 0.029 . 1 . . . . . 148 VAL N . 27594 2 589 . 2 2 149 149 THR H H 1 9.028 0.001 . 1 . . . . . 149 THR H . 27594 2 590 . 2 2 149 149 THR CA C 13 61.218 0.000 . 1 . . . . . 149 THR CA . 27594 2 591 . 2 2 149 149 THR CB C 13 69.092 0.000 . 1 . . . . . 149 THR CB . 27594 2 592 . 2 2 149 149 THR N N 15 122.757 0.015 . 1 . . . . . 149 THR N . 27594 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27594 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 '3D HNCO' . . . 27594 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 13 13 GLU N N 15 . 1 1 13 13 GLU H H 1 0.89729 0.06487 . . . . . . . . . . 27594 1 2 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.86013 0.09715 . . . . . . . . . . 27594 1 3 . 1 1 15 15 ASN N N 15 . 1 1 15 15 ASN H H 1 0.75923 0.09074 . . . . . . . . . . 27594 1 4 . 1 1 16 16 GLU N N 15 . 1 1 16 16 GLU H H 1 0.86176 0.07369 . . . . . . . . . . 27594 1 5 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.7164 0.11045 . . . . . . . . . . 27594 1 6 . 1 1 18 18 ALA N N 15 . 1 1 18 18 ALA H H 1 0.79082 0.09351 . . . . . . . . . . 27594 1 7 . 1 1 19 19 THR N N 15 . 1 1 19 19 THR H H 1 0.92188 0.07554 . . . . . . . . . . 27594 1 8 . 1 1 20 20 ALA N N 15 . 1 1 20 20 ALA H H 1 0.78921 0.07748 . . . . . . . . . . 27594 1 9 . 1 1 22 22 TRP N N 15 . 1 1 22 22 TRP H H 1 0.82017 0.18041 . . . . . . . . . . 27594 1 10 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.85824 0.1763 . . . . . . . . . . 27594 1 11 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.93378 0.14917 . . . . . . . . . . 27594 1 12 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.86182 0.25376 . . . . . . . . . . 27594 1 13 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.77422 0.21134 . . . . . . . . . . 27594 1 14 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.66004 0.15013 . . . . . . . . . . 27594 1 15 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.29249 0.08077 . . . . . . . . . . 27594 1 16 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.64148 0.06833 . . . . . . . . . . 27594 1 17 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 0.84454 0.11724 . . . . . . . . . . 27594 1 18 . 1 1 32 32 MET N N 15 . 1 1 32 32 MET H H 1 0.8629 0.08591 . . . . . . . . . . 27594 1 19 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.91352 0.12138 . . . . . . . . . . 27594 1 20 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.82854 0.08518 . . . . . . . . . . 27594 1 21 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.58512 0.12019 . . . . . . . . . . 27594 1 22 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.79745 0.10819 . . . . . . . . . . 27594 1 23 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.52847 0.05768 . . . . . . . . . . 27594 1 24 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.79824 0.08691 . . . . . . . . . . 27594 1 25 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.72394 0.07207 . . . . . . . . . . 27594 1 26 . 1 1 50 50 SER N N 15 . 1 1 50 50 SER H H 1 0.80937 0.1227 . . . . . . . . . . 27594 1 27 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.76435 0.07138 . . . . . . . . . . 27594 1 28 . 1 1 52 52 GLN N N 15 . 1 1 52 52 GLN H H 1 0.805 0.07741 . . . . . . . . . . 27594 1 29 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.79861 0.09816 . . . . . . . . . . 27594 1 30 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.7572 0.07964 . . . . . . . . . . 27594 1 31 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.90103 0.12773 . . . . . . . . . . 27594 1 32 . 1 1 56 56 ILE N N 15 . 1 1 56 56 ILE H H 1 0.89237 0.08201 . . . . . . . . . . 27594 1 33 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.86004 0.09147 . . . . . . . . . . 27594 1 34 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.89249 0.07622 . . . . . . . . . . 27594 1 35 . 1 1 63 63 LYS N N 15 . 1 1 63 63 LYS H H 1 0.81555 0.04827 . . . . . . . . . . 27594 1 36 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.82912 0.19655 . . . . . . . . . . 27594 1 37 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 0.83914 0.16362 . . . . . . . . . . 27594 1 38 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.83788 0.11288 . . . . . . . . . . 27594 1 39 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.73274 0.13202 . . . . . . . . . . 27594 1 40 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.80547 0.11619 . . . . . . . . . . 27594 1 41 . 1 1 74 74 LEU N N 15 . 1 1 74 74 LEU H H 1 0.91166 0.08569 . . . . . . . . . . 27594 1 42 . 1 1 75 75 THR N N 15 . 1 1 75 75 THR H H 1 0.90477 0.09272 . . . . . . . . . . 27594 1 43 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.90293 0.08637 . . . . . . . . . . 27594 1 44 . 1 1 77 77 SER N N 15 . 1 1 77 77 SER H H 1 0.77482 0.09506 . . . . . . . . . . 27594 1 45 . 1 1 78 78 VAL N N 15 . 1 1 78 78 VAL H H 1 0.9492 0.26213 . . . . . . . . . . 27594 1 46 . 1 1 79 79 ASN N N 15 . 1 1 79 79 ASN H H 1 0.5775 0.03754 . . . . . . . . . . 27594 1 47 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.61525 0.08896 . . . . . . . . . . 27594 1 48 . 1 1 82 82 ASP N N 15 . 1 1 82 82 ASP H H 1 0.83422 0.05866 . . . . . . . . . . 27594 1 49 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.91773 0.07819 . . . . . . . . . . 27594 1 50 . 1 1 84 84 LYS N N 15 . 1 1 84 84 LYS H H 1 0.89735 0.08294 . . . . . . . . . . 27594 1 51 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.87475 0.07532 . . . . . . . . . . 27594 1 52 . 1 1 97 97 ILE N N 15 . 1 1 97 97 ILE H H 1 0.56052 0.07349 . . . . . . . . . . 27594 1 53 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.55337 0.07189 . . . . . . . . . . 27594 1 54 . 1 1 99 99 LEU N N 15 . 1 1 99 99 LEU H H 1 0.38874 0.06434 . . . . . . . . . . 27594 1 55 . 1 1 100 100 SER N N 15 . 1 1 100 100 SER H H 1 0.38818 0.03269 . . . . . . . . . . 27594 1 56 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.39396 0.03216 . . . . . . . . . . 27594 1 57 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.40445 0.02824 . . . . . . . . . . 27594 1 58 . 1 1 103 103 ASN N N 15 . 1 1 103 103 ASN H H 1 0.41691 0.02654 . . . . . . . . . . 27594 1 59 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.42427 0.03443 . . . . . . . . . . 27594 1 60 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.48157 0.04401 . . . . . . . . . . 27594 1 61 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.63669 0.03701 . . . . . . . . . . 27594 1 62 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 0.61251 0.09227 . . . . . . . . . . 27594 1 63 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 0.71823 0.12074 . . . . . . . . . . 27594 1 64 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.74863 0.09757 . . . . . . . . . . 27594 1 65 . 1 1 110 110 VAL N N 15 . 1 1 110 110 VAL H H 1 0.79713 0.13582 . . . . . . . . . . 27594 1 66 . 1 1 111 111 SER N N 15 . 1 1 111 111 SER H H 1 0.72432 0.12491 . . . . . . . . . . 27594 1 67 . 1 1 113 113 GLN N N 15 . 1 1 113 113 GLN H H 1 0.89083 0.215 . . . . . . . . . . 27594 1 68 . 1 1 114 114 MET N N 15 . 1 1 114 114 MET H H 1 0.82744 0.19413 . . . . . . . . . . 27594 1 69 . 1 1 115 115 ARG N N 15 . 1 1 115 115 ARG H H 1 0.94688 0.18157 . . . . . . . . . . 27594 1 70 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.9383 0.20319 . . . . . . . . . . 27594 1 71 . 1 1 117 117 SER N N 15 . 1 1 117 117 SER H H 1 0.95202 0.22393 . . . . . . . . . . 27594 1 72 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.8365 0.37227 . . . . . . . . . . 27594 1 73 . 1 1 123 123 TYR N N 15 . 1 1 123 123 TYR H H 1 0.8841 0.16747 . . . . . . . . . . 27594 1 74 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.84561 0.08387 . . . . . . . . . . 27594 1 75 . 1 1 125 125 LYS N N 15 . 1 1 125 125 LYS H H 1 0.85623 0.06285 . . . . . . . . . . 27594 1 76 . 1 1 126 126 GLY N N 15 . 1 1 126 126 GLY H H 1 0.80236 0.08135 . . . . . . . . . . 27594 1 77 . 1 1 127 127 ILE N N 15 . 1 1 127 127 ILE H H 1 0.89961 0.07518 . . . . . . . . . . 27594 1 78 . 1 1 128 128 GLY N N 15 . 1 1 128 128 GLY H H 1 0.77527 0.08372 . . . . . . . . . . 27594 1 79 . 1 1 129 129 SER N N 15 . 1 1 129 129 SER H H 1 0.89533 0.15015 . . . . . . . . . . 27594 1 80 . 1 1 130 130 GLY N N 15 . 1 1 130 130 GLY H H 1 0.93937 0.19815 . . . . . . . . . . 27594 1 81 . 1 1 131 131 LEU N N 15 . 1 1 131 131 LEU H H 1 0.81346 0.13375 . . . . . . . . . . 27594 1 82 . 1 1 132 132 THR N N 15 . 1 1 132 132 THR H H 1 0.68378 0.12335 . . . . . . . . . . 27594 1 83 . 1 1 133 133 GLU N N 15 . 1 1 133 133 GLU H H 1 0.68161 0.12425 . . . . . . . . . . 27594 1 84 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 0.73504 0.07746 . . . . . . . . . . 27594 1 85 . 1 1 137 137 LYS N N 15 . 1 1 137 137 LYS H H 1 0.64567 0.10801 . . . . . . . . . . 27594 1 86 . 1 1 138 138 LEU N N 15 . 1 1 138 138 LEU H H 1 0.81766 0.08437 . . . . . . . . . . 27594 1 87 . 1 1 139 139 ASN N N 15 . 1 1 139 139 ASN H H 1 0.75355 0.09267 . . . . . . . . . . 27594 1 88 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.83246 0.08419 . . . . . . . . . . 27594 1 89 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 0.48623 0.07253 . . . . . . . . . . 27594 1 90 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.6686 0.07715 . . . . . . . . . . 27594 1 91 . 1 1 143 143 ALA N N 15 . 1 1 143 143 ALA H H 1 0.706 0.07527 . . . . . . . . . . 27594 1 92 . 1 1 144 144 LEU N N 15 . 1 1 144 144 LEU H H 1 0.62232 0.07616 . . . . . . . . . . 27594 1 93 . 1 1 145 145 ALA N N 15 . 1 1 145 145 ALA H H 1 0.79513 0.08407 . . . . . . . . . . 27594 1 94 . 1 1 146 146 LYS N N 15 . 1 1 146 146 LYS H H 1 0.80446 0.07813 . . . . . . . . . . 27594 1 95 . 1 1 153 153 VAL N N 15 . 1 1 153 153 VAL H H 1 0.78943 0.10957 . . . . . . . . . . 27594 1 96 . 1 1 154 154 ARG N N 15 . 1 1 154 154 ARG H H 1 0.81608 0.07828 . . . . . . . . . . 27594 1 97 . 1 1 155 155 ASN N N 15 . 1 1 155 155 ASN H H 1 0.55876 0.05914 . . . . . . . . . . 27594 1 98 . 1 1 156 156 ASN N N 15 . 1 1 156 156 ASN H H 1 0.61951 0.04821 . . . . . . . . . . 27594 1 99 . 1 1 157 157 GLN N N 15 . 1 1 157 157 GLN H H 1 0.40305 0.07211 . . . . . . . . . . 27594 1 100 . 1 1 158 158 GLN N N 15 . 1 1 158 158 GLN H H 1 0.43262 0.07256 . . . . . . . . . . 27594 1 101 . 1 1 159 159 GLY N N 15 . 1 1 159 159 GLY H H 1 0.5185 0.05718 . . . . . . . . . . 27594 1 102 . 1 1 160 160 GLN N N 15 . 1 1 160 160 GLN H H 1 0.45017 0.04969 . . . . . . . . . . 27594 1 103 . 1 1 161 161 SER N N 15 . 1 1 161 161 SER H H 1 0.51269 0.05047 . . . . . . . . . . 27594 1 104 . 1 1 162 162 GLU N N 15 . 1 1 162 162 GLU H H 1 0.82242 0.07989 . . . . . . . . . . 27594 1 105 . 1 1 163 163 LEU N N 15 . 1 1 163 163 LEU H H 1 0.94833 0.31345 . . . . . . . . . . 27594 1 106 . 1 1 168 168 ASN N N 15 . 1 1 168 168 ASN H H 1 0.95581 0.09928 . . . . . . . . . . 27594 1 107 . 1 1 169 169 GLY N N 15 . 1 1 169 169 GLY H H 1 0.96769 0.14453 . . . . . . . . . . 27594 1 108 . 1 1 170 170 GLN N N 15 . 1 1 170 170 GLN H H 1 0.77198 0.068 . . . . . . . . . . 27594 1 109 . 1 1 171 171 LYS N N 15 . 1 1 171 171 LYS H H 1 0.93565 0.09993 . . . . . . . . . . 27594 1 110 . 1 1 172 172 PHE N N 15 . 1 1 172 172 PHE H H 1 0.91662 0.18021 . . . . . . . . . . 27594 1 111 . 1 1 178 178 LEU N N 15 . 1 1 178 178 LEU H H 1 0.77664 0.08994 . . . . . . . . . . 27594 1 112 . 1 1 179 179 LYS N N 15 . 1 1 179 179 LYS H H 1 0.83908 0.08574 . . . . . . . . . . 27594 1 113 . 1 1 182 182 LYS N N 15 . 1 1 182 182 LYS H H 1 0.65897 0.09873 . . . . . . . . . . 27594 1 114 . 1 1 183 183 THR N N 15 . 1 1 183 183 THR H H 1 0.59304 0.09324 . . . . . . . . . . 27594 1 115 . 1 1 184 184 GLY N N 15 . 1 1 184 184 GLY H H 1 0.59112 0.09771 . . . . . . . . . . 27594 1 116 . 1 1 185 185 ASN N N 15 . 1 1 185 185 ASN H H 1 0.56741 0.05061 . . . . . . . . . . 27594 1 117 . 1 1 186 186 ASP N N 15 . 1 1 186 186 ASP H H 1 0.6161 0.04967 . . . . . . . . . . 27594 1 118 . 1 1 187 187 ILE N N 15 . 1 1 187 187 ILE H H 1 0.72012 0.10656 . . . . . . . . . . 27594 1 119 . 1 1 188 188 SER N N 15 . 1 1 188 188 SER H H 1 0.72866 0.07476 . . . . . . . . . . 27594 1 120 . 1 1 189 189 LEU N N 15 . 1 1 189 189 LEU H H 1 0.61894 0.07523 . . . . . . . . . . 27594 1 121 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.65908 0.06183 . . . . . . . . . . 27594 1 122 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.72579 0.23224 . . . . . . . . . . 27594 1 123 . 1 1 199 199 SER N N 15 . 1 1 199 199 SER H H 1 0.87862 0.14539 . . . . . . . . . . 27594 1 124 . 1 1 200 200 ASN N N 15 . 1 1 200 200 ASN H H 1 0.88357 0.08443 . . . . . . . . . . 27594 1 125 . 1 1 201 201 SER N N 15 . 1 1 201 201 SER H H 1 0.71589 0.1206 . . . . . . . . . . 27594 1 126 . 1 1 202 202 THR N N 15 . 1 1 202 202 THR H H 1 0.85841 0.09011 . . . . . . . . . . 27594 1 127 . 1 1 206 206 ALA N N 15 . 1 1 206 206 ALA H H 1 0.74439 0.06562 . . . . . . . . . . 27594 1 128 . 1 1 207 207 ILE N N 15 . 1 1 207 207 ILE H H 1 0.74601 0.05822 . . . . . . . . . . 27594 1 129 . 1 1 208 208 ASP N N 15 . 1 1 208 208 ASP H H 1 0.80868 0.07277 . . . . . . . . . . 27594 1 130 . 1 1 209 209 GLN N N 15 . 1 1 209 209 GLN H H 1 0.82551 0.07489 . . . . . . . . . . 27594 1 131 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.68379 0.09939 . . . . . . . . . . 27594 1 132 . 1 1 213 213 HIS N N 15 . 1 1 213 213 HIS H H 1 0.68648 0.08333 . . . . . . . . . . 27594 1 133 . 1 1 214 214 GLU N N 15 . 1 1 214 214 GLU H H 1 0.89003 0.11325 . . . . . . . . . . 27594 1 134 . 1 1 224 224 VAL N N 15 . 1 1 224 224 VAL H H 1 0.8297 0.11159 . . . . . . . . . . 27594 1 135 . 1 1 225 225 ASP N N 15 . 1 1 225 225 ASP H H 1 0.90675 0.12118 . . . . . . . . . . 27594 1 136 . 1 1 226 226 SER N N 15 . 1 1 226 226 SER H H 1 0.89178 0.1264 . . . . . . . . . . 27594 1 137 . 1 1 229 229 ILE N N 15 . 1 1 229 229 ILE H H 1 0.92289 0.27111 . . . . . . . . . . 27594 1 138 . 1 1 230 230 LYS N N 15 . 1 1 230 230 LYS H H 1 0.67479 0.06755 . . . . . . . . . . 27594 1 139 . 1 1 231 231 GLN N N 15 . 1 1 231 231 GLN H H 1 0.59254 0.04807 . . . . . . . . . . 27594 1 140 . 1 1 232 232 GLU N N 15 . 1 1 232 232 GLU H H 1 0.69724 0.08354 . . . . . . . . . . 27594 1 141 . 1 1 234 234 ILE N N 15 . 1 1 234 234 ILE H H 1 0.77394 0.14009 . . . . . . . . . . 27594 1 142 . 1 1 235 235 GLU N N 15 . 1 1 235 235 GLU H H 1 0.83689 0.09742 . . . . . . . . . . 27594 1 143 . 1 1 236 236 ILE N N 15 . 1 1 236 236 ILE H H 1 0.86417 0.07911 . . . . . . . . . . 27594 1 144 . 1 1 239 239 MET N N 15 . 1 1 239 239 MET H H 1 0.69355 0.07478 . . . . . . . . . . 27594 1 145 . 1 1 240 240 GLU N N 15 . 1 1 240 240 GLU H H 1 0.51013 0.25493 . . . . . . . . . . 27594 1 146 . 1 1 241 241 ASP N N 15 . 1 1 241 241 ASP H H 1 0.2705 0.20822 . . . . . . . . . . 27594 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 27594 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 4 '3D HNCO' . . . 27594 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 2 2 2 2 VAL N N 15 . 2 2 2 2 VAL H H 1 0.13874 0.17226 . . . . . . . . . . 27594 2 2 . 2 2 9 9 HIS N N 15 . 2 2 9 9 HIS H H 1 0.93369 0.16103 . . . . . . . . . . 27594 2 3 . 2 2 10 10 SER N N 15 . 2 2 10 10 SER H H 1 0.8313 0.05376 . . . . . . . . . . 27594 2 4 . 2 2 14 14 THR N N 15 . 2 2 14 14 THR H H 1 0.90744 0.22191 . . . . . . . . . . 27594 2 5 . 2 2 15 15 VAL N N 15 . 2 2 15 15 VAL H H 1 1.04462 0.23481 . . . . . . . . . . 27594 2 6 . 2 2 16 16 GLY N N 15 . 2 2 16 16 GLY H H 1 0.76826 0.23484 . . . . . . . . . . 27594 2 7 . 2 2 17 17 GLY N N 15 . 2 2 17 17 GLY H H 1 0.82242 0.17249 . . . . . . . . . . 27594 2 8 . 2 2 18 18 SER N N 15 . 2 2 18 18 SER H H 1 0.65595 0.08697 . . . . . . . . . . 27594 2 9 . 2 2 19 19 GLN N N 15 . 2 2 19 19 GLN H H 1 0.68607 0.09292 . . . . . . . . . . 27594 2 10 . 2 2 20 20 THR N N 15 . 2 2 20 20 THR H H 1 0.58039 0.12053 . . . . . . . . . . 27594 2 11 . 2 2 21 21 GLU N N 15 . 2 2 21 21 GLU H H 1 0.61994 0.04776 . . . . . . . . . . 27594 2 12 . 2 2 22 22 GLY N N 15 . 2 2 22 22 GLY H H 1 0.53037 0.08968 . . . . . . . . . . 27594 2 13 . 2 2 23 23 ASN N N 15 . 2 2 23 23 ASN H H 1 1.20538 0.11081 . . . . . . . . . . 27594 2 14 . 2 2 24 24 MET N N 15 . 2 2 24 24 MET H H 1 0.53543 0.08565 . . . . . . . . . . 27594 2 15 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.60869 0.05442 . . . . . . . . . . 27594 2 16 . 2 2 26 26 LYS N N 15 . 2 2 26 26 LYS H H 1 0.62992 0.12359 . . . . . . . . . . 27594 2 17 . 2 2 27 27 PHE N N 15 . 2 2 27 27 PHE H H 1 0.49596 0.13236 . . . . . . . . . . 27594 2 18 . 2 2 28 28 GLY N N 15 . 2 2 28 28 GLY H H 1 0.6971 0.13833 . . . . . . . . . . 27594 2 19 . 2 2 29 29 THR N N 15 . 2 2 29 29 THR H H 1 0.69898 0.16335 . . . . . . . . . . 27594 2 20 . 2 2 40 40 ASN N N 15 . 2 2 40 40 ASN H H 1 0.72179 0.06111 . . . . . . . . . . 27594 2 21 . 2 2 41 41 ASN N N 15 . 2 2 41 41 ASN H H 1 0.71669 0.09958 . . . . . . . . . . 27594 2 22 . 2 2 42 42 VAL N N 15 . 2 2 42 42 VAL H H 1 0.63153 0.04626 . . . . . . . . . . 27594 2 23 . 2 2 44 44 THR N N 15 . 2 2 44 44 THR H H 1 0.80187 0.17726 . . . . . . . . . . 27594 2 24 . 2 2 45 45 ALA N N 15 . 2 2 45 45 ALA H H 1 0.90443 0.17808 . . . . . . . . . . 27594 2 25 . 2 2 46 46 GLU N N 15 . 2 2 46 46 GLU H H 1 0.72756 0.21872 . . . . . . . . . . 27594 2 26 . 2 2 47 47 VAL N N 15 . 2 2 47 47 VAL H H 1 0.75899 0.17585 . . . . . . . . . . 27594 2 27 . 2 2 48 48 ALA N N 15 . 2 2 48 48 ALA H H 1 0.71155 0.22825 . . . . . . . . . . 27594 2 28 . 2 2 49 49 SER N N 15 . 2 2 49 49 SER H H 1 0.61461 0.13347 . . . . . . . . . . 27594 2 29 . 2 2 50 50 ALA N N 15 . 2 2 50 50 ALA H H 1 0.95938 0.13252 . . . . . . . . . . 27594 2 30 . 2 2 51 51 ALA N N 15 . 2 2 51 51 ALA H H 1 0.62331 0.11311 . . . . . . . . . . 27594 2 31 . 2 2 52 52 THR N N 15 . 2 2 52 52 THR H H 1 0.57428 0.14312 . . . . . . . . . . 27594 2 32 . 2 2 53 53 GLY N N 15 . 2 2 53 53 GLY H H 1 0.62901 0.08332 . . . . . . . . . . 27594 2 33 . 2 2 54 54 GLY N N 15 . 2 2 54 54 GLY H H 1 0.69345 0.12554 . . . . . . . . . . 27594 2 34 . 2 2 55 55 ASN N N 15 . 2 2 55 55 ASN H H 1 0.72135 0.17398 . . . . . . . . . . 27594 2 35 . 2 2 57 57 SER N N 15 . 2 2 57 57 SER H H 1 0.91227 0.20024 . . . . . . . . . . 27594 2 36 . 2 2 58 58 VAL N N 15 . 2 2 58 58 VAL H H 1 0.72784 0.1542 . . . . . . . . . . 27594 2 37 . 2 2 59 59 THR N N 15 . 2 2 59 59 THR H H 1 0.85956 0.19778 . . . . . . . . . . 27594 2 38 . 2 2 60 60 CYS N N 15 . 2 2 60 60 CYS H H 1 0.83049 0.18061 . . . . . . . . . . 27594 2 39 . 2 2 61 61 ASP N N 15 . 2 2 61 61 ASP H H 1 0.82579 0.10602 . . . . . . . . . . 27594 2 40 . 2 2 62 62 GLY N N 15 . 2 2 62 62 GLY H H 1 0.73944 0.14148 . . . . . . . . . . 27594 2 41 . 2 2 63 63 THR N N 15 . 2 2 63 63 THR H H 1 0.59635 0.06133 . . . . . . . . . . 27594 2 42 . 2 2 64 64 ASP N N 15 . 2 2 64 64 ASP H H 1 0.61707 0.13357 . . . . . . . . . . 27594 2 43 . 2 2 66 66 VAL N N 15 . 2 2 66 66 VAL H H 1 0.87764 0.15789 . . . . . . . . . . 27594 2 44 . 2 2 67 67 ASP N N 15 . 2 2 67 67 ASP H H 1 0.82439 0.20113 . . . . . . . . . . 27594 2 45 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.89685 0.13394 . . . . . . . . . . 27594 2 46 . 2 2 70 70 VAL N N 15 . 2 2 70 70 VAL H H 1 0.87228 0.12765 . . . . . . . . . . 27594 2 47 . 2 2 71 71 ALA N N 15 . 2 2 71 71 ALA H H 1 0.91429 0.19382 . . . . . . . . . . 27594 2 48 . 2 2 72 72 ILE N N 15 . 2 2 72 72 ILE H H 1 0.95325 0.23858 . . . . . . . . . . 27594 2 49 . 2 2 73 73 ASP N N 15 . 2 2 73 73 ASP H H 1 0.89121 0.05235 . . . . . . . . . . 27594 2 50 . 2 2 74 74 GLY N N 15 . 2 2 74 74 GLY H H 1 0.88205 0.09978 . . . . . . . . . . 27594 2 51 . 2 2 75 75 GLY N N 15 . 2 2 75 75 GLY H H 1 0.91219 0.10662 . . . . . . . . . . 27594 2 52 . 2 2 76 76 GLU N N 15 . 2 2 76 76 GLU H H 1 0.86092 0.18922 . . . . . . . . . . 27594 2 53 . 2 2 77 77 ARG N N 15 . 2 2 77 77 ARG H H 1 0.82496 0.25629 . . . . . . . . . . 27594 2 54 . 2 2 78 78 THR N N 15 . 2 2 78 78 THR H H 1 0.82867 0.2538 . . . . . . . . . . 27594 2 55 . 2 2 79 79 ASP N N 15 . 2 2 79 79 ASP H H 1 0.88933 0.20112 . . . . . . . . . . 27594 2 56 . 2 2 81 81 THR N N 15 . 2 2 81 81 THR H H 1 0.94656 0.22372 . . . . . . . . . . 27594 2 57 . 2 2 82 82 LEU N N 15 . 2 2 82 82 LEU H H 1 0.87452 0.10756 . . . . . . . . . . 27594 2 58 . 2 2 83 83 LYS N N 15 . 2 2 83 83 LYS H H 1 0.87778 0.12379 . . . . . . . . . . 27594 2 59 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.88377 0.09082 . . . . . . . . . . 27594 2 60 . 2 2 85 85 THR N N 15 . 2 2 85 85 THR H H 1 0.80088 0.10558 . . . . . . . . . . 27594 2 61 . 2 2 86 86 ALA N N 15 . 2 2 86 86 ALA H H 1 0.72496 0.09028 . . . . . . . . . . 27594 2 62 . 2 2 87 87 SER N N 15 . 2 2 87 87 SER H H 1 0.56657 0.10457 . . . . . . . . . . 27594 2 63 . 2 2 88 88 ALA N N 15 . 2 2 88 88 ALA H H 1 0.79182 0.09035 . . . . . . . . . . 27594 2 64 . 2 2 89 89 ASP N N 15 . 2 2 89 89 ASP H H 1 0.57848 0.04927 . . . . . . . . . . 27594 2 65 . 2 2 90 90 VAL N N 15 . 2 2 90 90 VAL H H 1 0.9129 0.05964 . . . . . . . . . . 27594 2 66 . 2 2 91 91 VAL N N 15 . 2 2 91 91 VAL H H 1 0.86251 0.08345 . . . . . . . . . . 27594 2 67 . 2 2 92 92 ALA N N 15 . 2 2 92 92 ALA H H 1 0.86498 0.07816 . . . . . . . . . . 27594 2 68 . 2 2 96 96 TYR N N 15 . 2 2 96 96 TYR H H 1 0.92866 0.20691 . . . . . . . . . . 27594 2 69 . 2 2 97 97 ARG N N 15 . 2 2 97 97 ARG H H 1 0.81073 0.07096 . . . . . . . . . . 27594 2 70 . 2 2 98 98 ASP N N 15 . 2 2 98 98 ASP H H 1 0.8995 0.09945 . . . . . . . . . . 27594 2 71 . 2 2 99 99 ALA N N 15 . 2 2 99 99 ALA H H 1 0.87736 0.07743 . . . . . . . . . . 27594 2 72 . 2 2 100 100 ALA N N 15 . 2 2 100 100 ALA H H 1 0.82861 0.08314 . . . . . . . . . . 27594 2 73 . 2 2 103 103 ASN N N 15 . 2 2 103 103 ASN H H 1 0.92152 0.17202 . . . . . . . . . . 27594 2 74 . 2 2 104 104 LEU N N 15 . 2 2 104 104 LEU H H 1 0.88437 0.06174 . . . . . . . . . . 27594 2 75 . 2 2 105 105 TYR N N 15 . 2 2 105 105 TYR H H 1 0.87472 0.12983 . . . . . . . . . . 27594 2 76 . 2 2 106 106 VAL N N 15 . 2 2 106 106 VAL H H 1 0.90432 0.11172 . . . . . . . . . . 27594 2 77 . 2 2 107 107 VAL N N 15 . 2 2 107 107 VAL H H 1 0.90843 0.07219 . . . . . . . . . . 27594 2 78 . 2 2 108 108 ASN N N 15 . 2 2 108 108 ASN H H 1 0.88427 0.05013 . . . . . . . . . . 27594 2 79 . 2 2 109 109 GLN N N 15 . 2 2 109 109 GLN H H 1 0.78659 0.09181 . . . . . . . . . . 27594 2 80 . 2 2 111 111 GLN N N 15 . 2 2 111 111 GLN H H 1 1.1545 0.0958 . . . . . . . . . . 27594 2 81 . 2 2 112 112 GLN N N 15 . 2 2 112 112 GLN H H 1 0.88559 0.10242 . . . . . . . . . . 27594 2 82 . 2 2 113 113 PHE N N 15 . 2 2 113 113 PHE H H 1 0.89548 0.22526 . . . . . . . . . . 27594 2 83 . 2 2 114 114 THR N N 15 . 2 2 114 114 THR H H 1 0.87007 0.07454 . . . . . . . . . . 27594 2 84 . 2 2 115 115 THR N N 15 . 2 2 115 115 THR H H 1 0.8435 0.18453 . . . . . . . . . . 27594 2 85 . 2 2 116 116 VAL N N 15 . 2 2 116 116 VAL H H 1 0.79926 0.08624 . . . . . . . . . . 27594 2 86 . 2 2 117 117 SER N N 15 . 2 2 117 117 SER H H 1 0.63194 0.06719 . . . . . . . . . . 27594 2 87 . 2 2 118 118 GLY N N 15 . 2 2 118 118 GLY H H 1 0.60124 0.06483 . . . . . . . . . . 27594 2 88 . 2 2 119 119 GLN N N 15 . 2 2 119 119 GLN H H 1 0.72731 0.06197 . . . . . . . . . . 27594 2 89 . 2 2 120 120 ALA N N 15 . 2 2 120 120 ALA H H 1 0.62652 0.06928 . . . . . . . . . . 27594 2 90 . 2 2 121 121 THR N N 15 . 2 2 121 121 THR H H 1 0.78663 0.15108 . . . . . . . . . . 27594 2 91 . 2 2 122 122 ALA N N 15 . 2 2 122 122 ALA H H 1 0.8989 0.11997 . . . . . . . . . . 27594 2 92 . 2 2 123 123 VAL N N 15 . 2 2 123 123 VAL H H 1 0.85499 0.12017 . . . . . . . . . . 27594 2 93 . 2 2 125 125 ILE N N 15 . 2 2 125 125 ILE H H 1 0.82382 0.26357 . . . . . . . . . . 27594 2 94 . 2 2 126 126 PHE N N 15 . 2 2 126 126 PHE H H 1 0.952 0.14441 . . . . . . . . . . 27594 2 95 . 2 2 127 127 GLY N N 15 . 2 2 127 127 GLY H H 1 0.82217 0.26209 . . . . . . . . . . 27594 2 96 . 2 2 128 128 ALA N N 15 . 2 2 128 128 ALA H H 1 0.92586 0.13055 . . . . . . . . . . 27594 2 97 . 2 2 129 129 ILE N N 15 . 2 2 129 129 ILE H H 1 0.93466 0.11675 . . . . . . . . . . 27594 2 98 . 2 2 130 130 ALA N N 15 . 2 2 130 130 ALA H H 1 0.83501 0.07673 . . . . . . . . . . 27594 2 99 . 2 2 132 132 ASN N N 15 . 2 2 132 132 ASN H H 1 0.91043 0.1758 . . . . . . . . . . 27594 2 100 . 2 2 133 133 THR N N 15 . 2 2 133 133 THR H H 1 0.50917 0.10748 . . . . . . . . . . 27594 2 101 . 2 2 134 134 GLY N N 15 . 2 2 134 134 GLY H H 1 0.15247 0.06912 . . . . . . . . . . 27594 2 102 . 2 2 137 137 LYS N N 15 . 2 2 137 137 LYS H H 1 0.82478 0.08519 . . . . . . . . . . 27594 2 103 . 2 2 138 138 ALA N N 15 . 2 2 138 138 ALA H H 1 0.79032 0.11518 . . . . . . . . . . 27594 2 104 . 2 2 139 139 GLN N N 15 . 2 2 139 139 GLN H H 1 0.79122 0.08892 . . . . . . . . . . 27594 2 105 . 2 2 140 140 GLY N N 15 . 2 2 140 140 GLY H H 1 0.65858 0.07749 . . . . . . . . . . 27594 2 106 . 2 2 141 141 ASP N N 15 . 2 2 141 141 ASP H H 1 0.67832 0.06408 . . . . . . . . . . 27594 2 107 . 2 2 143 143 LYS N N 15 . 2 2 143 143 LYS H H 1 0.86706 0.08969 . . . . . . . . . . 27594 2 108 . 2 2 144 144 ASP N N 15 . 2 2 144 144 ASP H H 1 0.86286 0.06783 . . . . . . . . . . 27594 2 109 . 2 2 145 145 THR N N 15 . 2 2 145 145 THR H H 1 0.81778 0.05872 . . . . . . . . . . 27594 2 110 . 2 2 146 146 LEU N N 15 . 2 2 146 146 LEU H H 1 0.92078 0.16632 . . . . . . . . . . 27594 2 111 . 2 2 147 147 LEU N N 15 . 2 2 147 147 LEU H H 1 0.91956 0.16694 . . . . . . . . . . 27594 2 112 . 2 2 148 148 VAL N N 15 . 2 2 148 148 VAL H H 1 0.95262 0.27401 . . . . . . . . . . 27594 2 113 . 2 2 149 149 THR N N 15 . 2 2 149 149 THR H H 1 0.8357 0.0758 . . . . . . . . . . 27594 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27594 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 '3D HNCO' . . . 27594 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 13 13 GLU N N 15 1006.16419 159.69328 . . . . . 27594 1 2 . 1 1 14 14 ALA N N 15 918.56202 141.8088 . . . . . 27594 1 3 . 1 1 15 15 ASN N N 15 868.77763 118.2971 . . . . . 27594 1 4 . 1 1 16 16 GLU N N 15 941.80465 124.69396 . . . . . 27594 1 5 . 1 1 17 17 LYS N N 15 811.4577 53.26482 . . . . . 27594 1 6 . 1 1 18 18 ALA N N 15 912.64154 128.91576 . . . . . 27594 1 7 . 1 1 19 19 THR N N 15 1175.91534 165.75862 . . . . . 27594 1 8 . 1 1 20 20 ALA N N 15 1016.93808 154.65822 . . . . . 27594 1 9 . 1 1 22 22 TRP N N 15 876.68568 140.09101 . . . . . 27594 1 10 . 1 1 23 23 LEU N N 15 1376.3982 234.43012 . . . . . 27594 1 11 . 1 1 26 26 THR N N 15 775.74164 183.90587 . . . . . 27594 1 12 . 1 1 27 27 GLY N N 15 909.09159 90.61973 . . . . . 27594 1 13 . 1 1 28 28 LYS N N 15 1102.58836 115.71972 . . . . . 27594 1 14 . 1 1 30 30 ASP N N 15 1281.27096 171.39457 . . . . . 27594 1 15 . 1 1 41 41 ASN N N 15 1838.65942 222.98363 . . . . . 27594 1 16 . 1 1 42 42 GLN N N 15 2219.40055 205.01255 . . . . . 27594 1 17 . 1 1 43 43 ASP N N 15 937.20254 134.51418 . . . . . 27594 1 18 . 1 1 44 44 GLY N N 15 1178.40649 143.15357 . . . . . 27594 1 19 . 1 1 47 47 ASP N N 15 1812.65347 98.83988 . . . . . 27594 1 20 . 1 1 48 48 ASN N N 15 1971.81966 274.46577 . . . . . 27594 1 21 . 1 1 49 49 TYR N N 15 1671.45462 180.5329 . . . . . 27594 1 22 . 1 1 50 50 SER N N 15 1414.05665 175.67229 . . . . . 27594 1 23 . 1 1 51 51 GLU N N 15 1515.06716 191.34645 . . . . . 27594 1 24 . 1 1 52 52 GLN N N 15 1854.12353 197.90646 . . . . . 27594 1 25 . 1 1 53 53 SER N N 15 838.17896 144.20841 . . . . . 27594 1 26 . 1 1 54 54 GLU N N 15 921.44386 125.84188 . . . . . 27594 1 27 . 1 1 55 55 ILE N N 15 1230.37326 206.02715 . . . . . 27594 1 28 . 1 1 56 56 ILE N N 15 1099.23058 166.17439 . . . . . 27594 1 29 . 1 1 62 62 ALA N N 15 1972.38153 162.33908 . . . . . 27594 1 30 . 1 1 63 63 LYS N N 15 1817.33403 194.59695 . . . . . 27594 1 31 . 1 1 64 64 ILE N N 15 1840.141 148.73807 . . . . . 27594 1 32 . 1 1 65 65 LYS N N 15 1756.92117 124.96412 . . . . . 27594 1 33 . 1 1 68 68 GLU N N 15 2226.55026 3200.46988 . . . . . 27594 1 34 . 1 1 69 69 LYS N N 15 1749.74087 357.10615 . . . . . 27594 1 35 . 1 1 75 75 THR N N 15 996.78585 158.66169 . . . . . 27594 1 36 . 1 1 76 76 LYS N N 15 1249.39351 134.8488 . . . . . 27594 1 37 . 1 1 77 77 SER N N 15 986.8098 126.32331 . . . . . 27594 1 38 . 1 1 78 78 VAL N N 15 1098.88844 251.53125 . . . . . 27594 1 39 . 1 1 80 80 LEU N N 15 1010.45596 138.32279 . . . . . 27594 1 40 . 1 1 82 82 ASP N N 15 1510.49239 140.144 . . . . . 27594 1 41 . 1 1 83 83 GLY N N 15 1036.71784 132.24085 . . . . . 27594 1 42 . 1 1 84 84 LYS N N 15 860.82297 131.39986 . . . . . 27594 1 43 . 1 1 85 85 GLU N N 15 990.60391 140.65767 . . . . . 27594 1 44 . 1 1 97 97 ILE N N 15 998.18659 44.39583 . . . . . 27594 1 45 . 1 1 98 98 ARG N N 15 549.7879 83.54658 . . . . . 27594 1 46 . 1 1 99 99 LEU N N 15 536.10549 22.94829 . . . . . 27594 1 47 . 1 1 100 100 SER N N 15 461.83954 39.84328 . . . . . 27594 1 48 . 1 1 101 101 ASP N N 15 427.07398 33.64665 . . . . . 27594 1 49 . 1 1 102 102 GLY N N 15 423.66866 29.44933 . . . . . 27594 1 50 . 1 1 103 103 ASN N N 15 405.04517 36.02828 . . . . . 27594 1 51 . 1 1 104 104 GLU N N 15 490.41959 42.99791 . . . . . 27594 1 52 . 1 1 105 105 GLN N N 15 630.61424 47.8567 . . . . . 27594 1 53 . 1 1 106 106 ASP N N 15 725.95587 64.63231 . . . . . 27594 1 54 . 1 1 107 107 ALA N N 15 797.81116 95.49517 . . . . . 27594 1 55 . 1 1 108 108 SER N N 15 790.39093 121.4374 . . . . . 27594 1 56 . 1 1 109 109 LYS N N 15 1026.32031 151.20972 . . . . . 27594 1 57 . 1 1 110 110 VAL N N 15 1391.26367 176.80764 . . . . . 27594 1 58 . 1 1 111 111 SER N N 15 -4.87E+04 -4110.60355 . . . . . 27594 1 59 . 1 1 113 113 GLN N N 15 1092.88591 230.80103 . . . . . 27594 1 60 . 1 1 114 114 MET N N 15 923.34696 201.9413 . . . . . 27594 1 61 . 1 1 116 116 TYR N N 15 993.7336 241.20899 . . . . . 27594 1 62 . 1 1 117 117 SER N N 15 1328.45907 275.34474 . . . . . 27594 1 63 . 1 1 118 118 ILE N N 15 1050.46696 229.61944 . . . . . 27594 1 64 . 1 1 123 123 TYR N N 15 940.17092 126.01317 . . . . . 27594 1 65 . 1 1 124 124 GLY N N 15 835.70325 120.89808 . . . . . 27594 1 66 . 1 1 125 125 LYS N N 15 1280.68489 163.31498 . . . . . 27594 1 67 . 1 1 126 126 GLY N N 15 1053.92591 139.71133 . . . . . 27594 1 68 . 1 1 127 127 ILE N N 15 992.63464 116.4137 . . . . . 27594 1 69 . 1 1 128 128 GLY N N 15 996.26168 135.21252 . . . . . 27594 1 70 . 1 1 129 129 SER N N 15 862.14217 129.75999 . . . . . 27594 1 71 . 1 1 130 130 GLY N N 15 797.48866 120.41579 . . . . . 27594 1 72 . 1 1 132 132 THR N N 15 899.04972 121.40896 . . . . . 27594 1 73 . 1 1 133 133 GLU N N 15 646.01678 104.55125 . . . . . 27594 1 74 . 1 1 134 134 GLU N N 15 859.68379 112.34028 . . . . . 27594 1 75 . 1 1 137 137 LYS N N 15 774.93117 119.2024 . . . . . 27594 1 76 . 1 1 138 138 LEU N N 15 1076.12382 143.30139 . . . . . 27594 1 77 . 1 1 139 139 ASN N N 15 1207.9549 170.73021 . . . . . 27594 1 78 . 1 1 140 140 ALA N N 15 1324.41032 144.74868 . . . . . 27594 1 79 . 1 1 141 141 LYS N N 15 1262.68745 150.46042 . . . . . 27594 1 80 . 1 1 142 142 ASN N N 15 1338.7505 141.14506 . . . . . 27594 1 81 . 1 1 143 143 ALA N N 15 897.95313 140.75026 . . . . . 27594 1 82 . 1 1 144 144 LEU N N 15 1104.80714 144.78492 . . . . . 27594 1 83 . 1 1 145 145 ALA N N 15 1390.81371 198.38315 . . . . . 27594 1 84 . 1 1 146 146 LYS N N 15 1231.57395 157.50294 . . . . . 27594 1 85 . 1 1 153 153 VAL N N 15 1384.13138 176.89631 . . . . . 27594 1 86 . 1 1 154 154 ARG N N 15 1323.83931 203.18108 . . . . . 27594 1 87 . 1 1 155 155 ASN N N 15 781.41533 126.62161 . . . . . 27594 1 88 . 1 1 156 156 ASN N N 15 971.2528 119.61349 . . . . . 27594 1 89 . 1 1 157 157 GLN N N 15 608.02806 84.59973 . . . . . 27594 1 90 . 1 1 158 158 GLN N N 15 967.75161 97.56731 . . . . . 27594 1 91 . 1 1 159 159 GLY N N 15 926.48082 109.48158 . . . . . 27594 1 92 . 1 1 160 160 GLN N N 15 1016.82889 95.008 . . . . . 27594 1 93 . 1 1 161 161 SER N N 15 1314.14694 137.11762 . . . . . 27594 1 94 . 1 1 163 163 LEU N N 15 1698.40801 183.58186 . . . . . 27594 1 95 . 1 1 168 168 ASN N N 15 1598.85228 178.54043 . . . . . 27594 1 96 . 1 1 169 169 GLY N N 15 1734.18455 231.24763 . . . . . 27594 1 97 . 1 1 170 170 GLN N N 15 680.26332 408.45812 . . . . . 27594 1 98 . 1 1 171 171 LYS N N 15 1003.92382 160.48651 . . . . . 27594 1 99 . 1 1 172 172 PHE N N 15 941.7174 137.39887 . . . . . 27594 1 100 . 1 1 178 178 LEU N N 15 1168.10944 147.85998 . . . . . 27594 1 101 . 1 1 179 179 LYS N N 15 1375.53134 203.78761 . . . . . 27594 1 102 . 1 1 182 182 LYS N N 15 758.36616 56.7575 . . . . . 27594 1 103 . 1 1 183 183 THR N N 15 609.59403 41.1037 . . . . . 27594 1 104 . 1 1 184 184 GLY N N 15 577.87295 59.54215 . . . . . 27594 1 105 . 1 1 185 185 ASN N N 15 643.14403 79.78987 . . . . . 27594 1 106 . 1 1 186 186 ASP N N 15 778.75273 89.0812 . . . . . 27594 1 107 . 1 1 187 187 ILE N N 15 965.55761 100.66784 . . . . . 27594 1 108 . 1 1 188 188 SER N N 15 904.28227 102.31573 . . . . . 27594 1 109 . 1 1 189 189 LEU N N 15 1024.17715 121.36457 . . . . . 27594 1 110 . 1 1 190 190 GLY N N 15 896.31756 84.39068 . . . . . 27594 1 111 . 1 1 191 191 LYS N N 15 892.07555 156.75325 . . . . . 27594 1 112 . 1 1 199 199 SER N N 15 937.69034 154.36512 . . . . . 27594 1 113 . 1 1 200 200 ASN N N 15 1226.26716 156.16002 . . . . . 27594 1 114 . 1 1 201 201 SER N N 15 1214.42319 137.67804 . . . . . 27594 1 115 . 1 1 202 202 THR N N 15 1108.7097 163.08523 . . . . . 27594 1 116 . 1 1 206 206 ALA N N 15 2091.98753 182.2704 . . . . . 27594 1 117 . 1 1 207 207 ILE N N 15 1665.1105 170.27644 . . . . . 27594 1 118 . 1 1 208 208 ASP N N 15 1139.83501 146.71001 . . . . . 27594 1 119 . 1 1 209 209 GLN N N 15 939.39979 139.79283 . . . . . 27594 1 120 . 1 1 210 210 SER N N 15 770.14685 125.53038 . . . . . 27594 1 121 . 1 1 213 213 HIS N N 15 1060.71302 147.69943 . . . . . 27594 1 122 . 1 1 214 214 GLU N N 15 1309.2274 164.44363 . . . . . 27594 1 123 . 1 1 224 224 VAL N N 15 1282.19184 218.77027 . . . . . 27594 1 124 . 1 1 225 225 ASP N N 15 1337.88111 194.76515 . . . . . 27594 1 125 . 1 1 226 226 SER N N 15 959.22552 130.6692 . . . . . 27594 1 126 . 1 1 229 229 ILE N N 15 1330.10903 127.42114 . . . . . 27594 1 127 . 1 1 230 230 LYS N N 15 1195.11543 109.61957 . . . . . 27594 1 128 . 1 1 231 231 GLN N N 15 1307.31188 117.78345 . . . . . 27594 1 129 . 1 1 232 232 GLU N N 15 1170.45618 154.56392 . . . . . 27594 1 130 . 1 1 234 234 ILE N N 15 1589.60737 199.52519 . . . . . 27594 1 131 . 1 1 235 235 GLU N N 15 2584.30928 202.10063 . . . . . 27594 1 132 . 1 1 236 236 ILE N N 15 1363.24041 161.06698 . . . . . 27594 1 133 . 1 1 239 239 MET N N 15 1411.88224 177.13257 . . . . . 27594 1 134 . 1 1 240 240 GLU N N 15 864.17679 56.42008 . . . . . 27594 1 135 . 1 1 241 241 ASP N N 15 651.62095 27.46339 . . . . . 27594 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 27594 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 '3D HNCO' . . . 27594 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 2 2 VAL N N 15 1198.7824 175.96147 . . . . . 27594 2 2 . 2 2 3 3 THR N N 15 1135.14216 779.17376 . . . . . 27594 2 3 . 2 2 9 9 HIS N N 15 876.69856 108.08056 . . . . . 27594 2 4 . 2 2 10 10 SER N N 15 998.13903 116.75915 . . . . . 27594 2 5 . 2 2 14 14 THR N N 15 975.67646 101.22421 . . . . . 27594 2 6 . 2 2 15 15 VAL N N 15 1055.1959 137.07911 . . . . . 27594 2 7 . 2 2 16 16 GLY N N 15 1015.10636 124.98066 . . . . . 27594 2 8 . 2 2 17 17 GLY N N 15 923.62644 94.51255 . . . . . 27594 2 9 . 2 2 18 18 SER N N 15 910.73264 94.53571 . . . . . 27594 2 10 . 2 2 19 19 GLN N N 15 1437.18522 108.26249 . . . . . 27594 2 11 . 2 2 20 20 THR N N 15 452.04767 66.01316 . . . . . 27594 2 12 . 2 2 21 21 GLU N N 15 680.30421 63.60883 . . . . . 27594 2 13 . 2 2 22 22 GLY N N 15 511.51352 36.78944 . . . . . 27594 2 14 . 2 2 23 23 ASN N N 15 563.57359 50.52522 . . . . . 27594 2 15 . 2 2 24 24 MET N N 15 803.42663 87.81708 . . . . . 27594 2 16 . 2 2 25 25 ASN N N 15 591.34596 58.38414 . . . . . 27594 2 17 . 2 2 26 26 LYS N N 15 665.44004 51.41002 . . . . . 27594 2 18 . 2 2 27 27 PHE N N 15 803.84593 53.07491 . . . . . 27594 2 19 . 2 2 28 28 GLY N N 15 870.66446 67.46452 . . . . . 27594 2 20 . 2 2 29 29 THR N N 15 940.84943 70.86153 . . . . . 27594 2 21 . 2 2 40 40 ASN N N 15 818.32554 116.12775 . . . . . 27594 2 22 . 2 2 41 41 ASN N N 15 1250.12983 172.85434 . . . . . 27594 2 23 . 2 2 42 42 VAL N N 15 1765.21924 156.23125 . . . . . 27594 2 24 . 2 2 43 43 LEU N N 15 355.89194 39.36742 . . . . . 27594 2 25 . 2 2 44 44 THR N N 15 1080.55649 151.41698 . . . . . 27594 2 26 . 2 2 45 45 ALA N N 15 1077.53164 150.41693 . . . . . 27594 2 27 . 2 2 46 46 GLU N N 15 1383.5132 107.47878 . . . . . 27594 2 28 . 2 2 47 47 VAL N N 15 1000.17181 221.56916 . . . . . 27594 2 29 . 2 2 48 48 ALA N N 15 945.15554 87.21223 . . . . . 27594 2 30 . 2 2 49 49 SER N N 15 682.78284 52.21848 . . . . . 27594 2 31 . 2 2 50 50 ALA N N 15 620.04566 68.7355 . . . . . 27594 2 32 . 2 2 51 51 ALA N N 15 640.52174 63.65422 . . . . . 27594 2 33 . 2 2 52 52 THR N N 15 625.22938 57.40697 . . . . . 27594 2 34 . 2 2 53 53 GLY N N 15 623.22076 59.09736 . . . . . 27594 2 35 . 2 2 55 55 ASN N N 15 725.85913 133.29378 . . . . . 27594 2 36 . 2 2 57 57 SER N N 15 975.28066 112.81741 . . . . . 27594 2 37 . 2 2 58 58 VAL N N 15 1017.86293 121.47518 . . . . . 27594 2 38 . 2 2 59 59 THR N N 15 1002.7445 118.77404 . . . . . 27594 2 39 . 2 2 60 60 CYS N N 15 1068.44428 120.40328 . . . . . 27594 2 40 . 2 2 62 62 GLY N N 15 989.64341 101.00069 . . . . . 27594 2 41 . 2 2 64 64 ASP N N 15 933.29737 73.0474 . . . . . 27594 2 42 . 2 2 67 67 ASP N N 15 895.45 77.9203 . . . . . 27594 2 43 . 2 2 69 69 THR N N 15 1260.76644 153.00106 . . . . . 27594 2 44 . 2 2 70 70 VAL N N 15 1214.58992 149.376 . . . . . 27594 2 45 . 2 2 71 71 ALA N N 15 996.8217 120.89354 . . . . . 27594 2 46 . 2 2 72 72 ILE N N 15 970.72003 124.16389 . . . . . 27594 2 47 . 2 2 73 73 ASP N N 15 1039.89317 141.7151 . . . . . 27594 2 48 . 2 2 74 74 GLY N N 15 1449.35113 184.37688 . . . . . 27594 2 49 . 2 2 75 75 GLY N N 15 1231.56442 168.0449 . . . . . 27594 2 50 . 2 2 76 76 GLU N N 15 869.57585 113.8839 . . . . . 27594 2 51 . 2 2 77 77 ARG N N 15 897.94684 87.32239 . . . . . 27594 2 52 . 2 2 78 78 THR N N 15 1056.72707 131.05042 . . . . . 27594 2 53 . 2 2 79 79 ASP N N 15 1052.9746 148.97289 . . . . . 27594 2 54 . 2 2 81 81 THR N N 15 968.10532 147.01706 . . . . . 27594 2 55 . 2 2 84 84 ASN N N 15 872.38084 112.49786 . . . . . 27594 2 56 . 2 2 85 85 THR N N 15 814.63434 101.09579 . . . . . 27594 2 57 . 2 2 86 86 ALA N N 15 839.64329 108.29384 . . . . . 27594 2 58 . 2 2 87 87 SER N N 15 1007.45222 131.51864 . . . . . 27594 2 59 . 2 2 88 88 ALA N N 15 1472.06291 194.92022 . . . . . 27594 2 60 . 2 2 90 90 VAL N N 15 1076.75715 153.7442 . . . . . 27594 2 61 . 2 2 91 91 VAL N N 15 996.14118 144.59889 . . . . . 27594 2 62 . 2 2 92 92 ALA N N 15 1891.53361 193.22125 . . . . . 27594 2 63 . 2 2 96 96 TYR N N 15 1321.16335 147.36464 . . . . . 27594 2 64 . 2 2 98 98 ASP N N 15 993.85639 145.69983 . . . . . 27594 2 65 . 2 2 99 99 ALA N N 15 1473.66707 172.31516 . . . . . 27594 2 66 . 2 2 100 100 ALA N N 15 1268.23989 215.04745 . . . . . 27594 2 67 . 2 2 103 103 ASN N N 15 981.62099 145.83171 . . . . . 27594 2 68 . 2 2 104 104 LEU N N 15 1200.05471 165.26709 . . . . . 27594 2 69 . 2 2 105 105 TYR N N 15 1095.32793 158.6438 . . . . . 27594 2 70 . 2 2 106 106 VAL N N 15 1084.96669 166.95545 . . . . . 27594 2 71 . 2 2 107 107 VAL N N 15 1513.13266 202.26331 . . . . . 27594 2 72 . 2 2 108 108 ASN N N 15 1078.93514 166.00965 . . . . . 27594 2 73 . 2 2 109 109 GLN N N 15 961.6264 144.48625 . . . . . 27594 2 74 . 2 2 111 111 GLN N N 15 1134.0162 158.41413 . . . . . 27594 2 75 . 2 2 112 112 GLN N N 15 1426.42542 147.79739 . . . . . 27594 2 76 . 2 2 113 113 PHE N N 15 1423.25076 161.49979 . . . . . 27594 2 77 . 2 2 114 114 THR N N 15 1493.47518 211.42164 . . . . . 27594 2 78 . 2 2 116 116 VAL N N 15 1001.97955 146.5736 . . . . . 27594 2 79 . 2 2 117 117 SER N N 15 1186.36321 118.10606 . . . . . 27594 2 80 . 2 2 118 118 GLY N N 15 323.33869 66.32072 . . . . . 27594 2 81 . 2 2 120 120 ALA N N 15 978.84891 87.28565 . . . . . 27594 2 82 . 2 2 121 121 THR N N 15 901.09401 184.61018 . . . . . 27594 2 83 . 2 2 122 122 ALA N N 15 1516.31772 275.67552 . . . . . 27594 2 84 . 2 2 123 123 VAL N N 15 2866.02781 1424.30986 . . . . . 27594 2 85 . 2 2 125 125 ILE N N 15 1217.49228 129.97104 . . . . . 27594 2 86 . 2 2 126 126 PHE N N 15 1125.54068 152.28481 . . . . . 27594 2 87 . 2 2 127 127 GLY N N 15 968.36703 244.77953 . . . . . 27594 2 88 . 2 2 128 128 ALA N N 15 1318.78856 147.8588 . . . . . 27594 2 89 . 2 2 129 129 ILE N N 15 1538.79735 202.13443 . . . . . 27594 2 90 . 2 2 130 130 ALA N N 15 2287.07285 154.05688 . . . . . 27594 2 91 . 2 2 132 132 ASN N N 15 1131.42498 136.83972 . . . . . 27594 2 92 . 2 2 133 133 THR N N 15 837.42965 117.61855 . . . . . 27594 2 93 . 2 2 134 134 GLY N N 15 691.6804 96.32795 . . . . . 27594 2 94 . 2 2 135 135 THR N N 15 720.70786 82.1016 . . . . . 27594 2 95 . 2 2 137 137 LYS N N 15 1107.71296 146.82421 . . . . . 27594 2 96 . 2 2 138 138 ALA N N 15 871.06838 152.37196 . . . . . 27594 2 97 . 2 2 139 139 GLN N N 15 1198.50592 143.73327 . . . . . 27594 2 98 . 2 2 140 140 GLY N N 15 927.02705 114.7899 . . . . . 27594 2 99 . 2 2 141 141 ASP N N 15 1136.38791 157.52875 . . . . . 27594 2 100 . 2 2 143 143 LYS N N 15 976.89946 125.26556 . . . . . 27594 2 101 . 2 2 144 144 ASP N N 15 1229.19443 183.59817 . . . . . 27594 2 102 . 2 2 146 146 LEU N N 15 1142.35381 133.80148 . . . . . 27594 2 103 . 2 2 147 147 LEU N N 15 1219.31812 128.84977 . . . . . 27594 2 104 . 2 2 148 148 VAL N N 15 1161.39311 120.19738 . . . . . 27594 2 105 . 2 2 149 149 THR N N 15 1334.27317 161.64911 . . . . . 27594 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27594 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 4 '3D HNCO' . . . 27594 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 14 14 ALA N N 15 24.59543 0.25829 . . . . . . . 27594 1 2 . 1 1 15 15 ASN N N 15 25.00932 0.08638 . . . . . . . 27594 1 3 . 1 1 16 16 GLU N N 15 22.70709 0.15851 . . . . . . . 27594 1 4 . 1 1 17 17 LYS N N 15 26.11472 0.3192 . . . . . . . 27594 1 5 . 1 1 18 18 ALA N N 15 23.61236 0.42302 . . . . . . . 27594 1 6 . 1 1 19 19 THR N N 15 23.63817 0.1688 . . . . . . . 27594 1 7 . 1 1 20 20 ALA N N 15 25.11989 0.23316 . . . . . . . 27594 1 8 . 1 1 22 22 TRP N N 15 26.80331 0.13481 . . . . . . . 27594 1 9 . 1 1 23 23 LEU N N 15 20.7513 0.68431 . . . . . . . 27594 1 10 . 1 1 24 24 GLN N N 15 28.33171 3.15545 . . . . . . . 27594 1 11 . 1 1 26 26 THR N N 15 23.32214 0.83911 . . . . . . . 27594 1 12 . 1 1 27 27 GLY N N 15 25.93847 2.02058 . . . . . . . 27594 1 13 . 1 1 28 28 LYS N N 15 28.00719 0.53202 . . . . . . . 27594 1 14 . 1 1 29 29 THR N N 15 26.17233 0.51273 . . . . . . . 27594 1 15 . 1 1 30 30 ASP N N 15 24.94778 0.24704 . . . . . . . 27594 1 16 . 1 1 32 32 MET N N 15 25.40753 0.18159 . . . . . . . 27594 1 17 . 1 1 41 41 ASN N N 15 21.36036 0.25638 . . . . . . . 27594 1 18 . 1 1 42 42 GLN N N 15 22.1343 0.12902 . . . . . . . 27594 1 19 . 1 1 43 43 ASP N N 15 35.60368 2.11511 . . . . . . . 27594 1 20 . 1 1 44 44 GLY N N 15 19.80259 0.26853 . . . . . . . 27594 1 21 . 1 1 47 47 ASP N N 15 26.32829 0.42739 . . . . . . . 27594 1 22 . 1 1 48 48 ASN N N 15 22.6286 0.12093 . . . . . . . 27594 1 23 . 1 1 49 49 TYR N N 15 23.71781 0.51934 . . . . . . . 27594 1 24 . 1 1 50 50 SER N N 15 25.6359 0.2191 . . . . . . . 27594 1 25 . 1 1 51 51 GLU N N 15 25.93181 0.26115 . . . . . . . 27594 1 26 . 1 1 52 52 GLN N N 15 22.28696 0.16906 . . . . . . . 27594 1 27 . 1 1 53 53 SER N N 15 26.16101 0.15628 . . . . . . . 27594 1 28 . 1 1 54 54 GLU N N 15 23.60668 0.36238 . . . . . . . 27594 1 29 . 1 1 55 55 ILE N N 15 25.40958 0.32923 . . . . . . . 27594 1 30 . 1 1 56 56 ILE N N 15 23.66595 0.10405 . . . . . . . 27594 1 31 . 1 1 61 61 VAL N N 15 24.98919 0.57201 . . . . . . . 27594 1 32 . 1 1 62 62 ALA N N 15 24.99809 0.10034 . . . . . . . 27594 1 33 . 1 1 63 63 LYS N N 15 24.94794 0.36974 . . . . . . . 27594 1 34 . 1 1 64 64 ILE N N 15 25.48686 0.37742 . . . . . . . 27594 1 35 . 1 1 65 65 LYS N N 15 21.93534 0.44877 . . . . . . . 27594 1 36 . 1 1 68 68 GLU N N 15 19.29268 1.3574 . . . . . . . 27594 1 37 . 1 1 69 69 LYS N N 15 22.45965 1.10638 . . . . . . . 27594 1 38 . 1 1 74 74 LEU N N 15 25.10799 0.29927 . . . . . . . 27594 1 39 . 1 1 75 75 THR N N 15 22.58646 0.35299 . . . . . . . 27594 1 40 . 1 1 76 76 LYS N N 15 24.11184 0.34601 . . . . . . . 27594 1 41 . 1 1 77 77 SER N N 15 24.32275 0.19864 . . . . . . . 27594 1 42 . 1 1 78 78 VAL N N 15 17.20135 0.70361 . . . . . . . 27594 1 43 . 1 1 79 79 ASN N N 15 31.95552 0.22774 . . . . . . . 27594 1 44 . 1 1 80 80 LEU N N 15 19.02278 0.16333 . . . . . . . 27594 1 45 . 1 1 82 82 ASP N N 15 26.82309 0.24767 . . . . . . . 27594 1 46 . 1 1 83 83 GLY N N 15 25.04959 0.38271 . . . . . . . 27594 1 47 . 1 1 84 84 LYS N N 15 25.25313 0.23035 . . . . . . . 27594 1 48 . 1 1 85 85 GLU N N 15 24.62966 0.34143 . . . . . . . 27594 1 49 . 1 1 97 97 ILE N N 15 40.70702 0.83138 . . . . . . . 27594 1 50 . 1 1 98 98 ARG N N 15 57.75253 2.13026 . . . . . . . 27594 1 51 . 1 1 99 99 LEU N N 15 59.39684 5.33745 . . . . . . . 27594 1 52 . 1 1 100 100 SER N N 15 91.40003 1.22911 . . . . . . . 27594 1 53 . 1 1 101 101 ASP N N 15 108.73184 1.16845 . . . . . . . 27594 1 54 . 1 1 102 102 GLY N N 15 108.81034 6.37668 . . . . . . . 27594 1 55 . 1 1 103 103 ASN N N 15 105.9831 3.13702 . . . . . . . 27594 1 56 . 1 1 105 105 GLN N N 15 47.62539 0.48475 . . . . . . . 27594 1 57 . 1 1 106 106 ASP N N 15 41.24311 0.33402 . . . . . . . 27594 1 58 . 1 1 107 107 ALA N N 15 33.88473 0.34913 . . . . . . . 27594 1 59 . 1 1 108 108 SER N N 15 28.51761 0.54842 . . . . . . . 27594 1 60 . 1 1 109 109 LYS N N 15 25.87791 0.34463 . . . . . . . 27594 1 61 . 1 1 110 110 VAL N N 15 25.65547 0.33047 . . . . . . . 27594 1 62 . 1 1 111 111 SER N N 15 81.3499 42.0882 . . . . . . . 27594 1 63 . 1 1 113 113 GLN N N 15 21.2286 0.85237 . . . . . . . 27594 1 64 . 1 1 114 114 MET N N 15 20.55582 0.75533 . . . . . . . 27594 1 65 . 1 1 115 115 ARG N N 15 24.78935 1.60417 . . . . . . . 27594 1 66 . 1 1 116 116 TYR N N 15 21.02425 1.22857 . . . . . . . 27594 1 67 . 1 1 117 117 SER N N 15 20.45955 0.95943 . . . . . . . 27594 1 68 . 1 1 118 118 ILE N N 15 24.42244 0.60642 . . . . . . . 27594 1 69 . 1 1 123 123 TYR N N 15 26.35246 0.24627 . . . . . . . 27594 1 70 . 1 1 124 124 GLY N N 15 22.43956 0.50449 . . . . . . . 27594 1 71 . 1 1 125 125 LYS N N 15 26.85796 0.0799 . . . . . . . 27594 1 72 . 1 1 126 126 GLY N N 15 23.26555 0.20346 . . . . . . . 27594 1 73 . 1 1 127 127 ILE N N 15 20.63863 0.36579 . . . . . . . 27594 1 74 . 1 1 128 128 GLY N N 15 20.50143 0.6036 . . . . . . . 27594 1 75 . 1 1 129 129 SER N N 15 23.82105 0.46561 . . . . . . . 27594 1 76 . 1 1 130 130 GLY N N 15 23.25945 0.52222 . . . . . . . 27594 1 77 . 1 1 131 131 LEU N N 15 25.20871 0.32095 . . . . . . . 27594 1 78 . 1 1 132 132 THR N N 15 23.25671 0.87248 . . . . . . . 27594 1 79 . 1 1 133 133 GLU N N 15 24.64964 0.45844 . . . . . . . 27594 1 80 . 1 1 134 134 GLU N N 15 23.63849 0.20187 . . . . . . . 27594 1 81 . 1 1 137 137 LYS N N 15 24.40958 0.4286 . . . . . . . 27594 1 82 . 1 1 138 138 LEU N N 15 23.45943 0.24974 . . . . . . . 27594 1 83 . 1 1 139 139 ASN N N 15 23.27638 0.14098 . . . . . . . 27594 1 84 . 1 1 140 140 ALA N N 15 22.29856 0.16499 . . . . . . . 27594 1 85 . 1 1 141 141 LYS N N 15 26.80821 0.09083 . . . . . . . 27594 1 86 . 1 1 142 142 ASN N N 15 27.01239 0.11645 . . . . . . . 27594 1 87 . 1 1 143 143 ALA N N 15 26.33307 0.16606 . . . . . . . 27594 1 88 . 1 1 144 144 LEU N N 15 24.25482 0.19858 . . . . . . . 27594 1 89 . 1 1 145 145 ALA N N 15 21.65353 0.15465 . . . . . . . 27594 1 90 . 1 1 146 146 LYS N N 15 26.33271 0.08536 . . . . . . . 27594 1 91 . 1 1 154 154 ARG N N 15 24.96093 0.35983 . . . . . . . 27594 1 92 . 1 1 155 155 ASN N N 15 26.2146 0.26925 . . . . . . . 27594 1 93 . 1 1 156 156 ASN N N 15 29.00985 0.15137 . . . . . . . 27594 1 94 . 1 1 157 157 GLN N N 15 32.21204 0.35348 . . . . . . . 27594 1 95 . 1 1 158 158 GLN N N 15 29.71775 0.43101 . . . . . . . 27594 1 96 . 1 1 159 159 GLY N N 15 31.02425 0.38255 . . . . . . . 27594 1 97 . 1 1 160 160 GLN N N 15 29.47429 0.1961 . . . . . . . 27594 1 98 . 1 1 161 161 SER N N 15 27.83695 0.24983 . . . . . . . 27594 1 99 . 1 1 163 163 LEU N N 15 23.21734 0.41228 . . . . . . . 27594 1 100 . 1 1 168 168 ASN N N 15 26.31256 0.28842 . . . . . . . 27594 1 101 . 1 1 169 169 GLY N N 15 20.5473 0.36674 . . . . . . . 27594 1 102 . 1 1 170 170 GLN N N 15 13.48429 0.94507 . . . . . . . 27594 1 103 . 1 1 171 171 LYS N N 15 20.53965 0.36053 . . . . . . . 27594 1 104 . 1 1 172 172 PHE N N 15 24.06529 0.30983 . . . . . . . 27594 1 105 . 1 1 178 178 LEU N N 15 25.30623 0.28237 . . . . . . . 27594 1 106 . 1 1 179 179 LYS N N 15 22.63161 0.38235 . . . . . . . 27594 1 107 . 1 1 182 182 LYS N N 15 38.88978 0.84259 . . . . . . . 27594 1 108 . 1 1 183 183 THR N N 15 44.14289 1.17318 . . . . . . . 27594 1 109 . 1 1 184 184 GLY N N 15 31.37974 1.12151 . . . . . . . 27594 1 110 . 1 1 185 185 ASN N N 15 34.14542 0.33187 . . . . . . . 27594 1 111 . 1 1 186 186 ASP N N 15 31.7153 1.13736 . . . . . . . 27594 1 112 . 1 1 187 187 ILE N N 15 25.0315 0.40953 . . . . . . . 27594 1 113 . 1 1 189 189 LEU N N 15 24.5748 0.83315 . . . . . . . 27594 1 114 . 1 1 190 190 GLY N N 15 28.12491 0.36414 . . . . . . . 27594 1 115 . 1 1 191 191 LYS N N 15 19.58989 0.48884 . . . . . . . 27594 1 116 . 1 1 199 199 SER N N 15 22.7658 0.51521 . . . . . . . 27594 1 117 . 1 1 200 200 ASN N N 15 22.03292 0.11902 . . . . . . . 27594 1 118 . 1 1 201 201 SER N N 15 23.86644 0.39627 . . . . . . . 27594 1 119 . 1 1 202 202 THR N N 15 26.71522 0.31352 . . . . . . . 27594 1 120 . 1 1 206 206 ALA N N 15 26.20131 0.46325 . . . . . . . 27594 1 121 . 1 1 207 207 ILE N N 15 25.85657 0.38811 . . . . . . . 27594 1 122 . 1 1 208 208 ASP N N 15 26.62582 0.59796 . . . . . . . 27594 1 123 . 1 1 209 209 GLN N N 15 21.63488 0.09413 . . . . . . . 27594 1 124 . 1 1 210 210 SER N N 15 24.26872 0.43069 . . . . . . . 27594 1 125 . 1 1 213 213 HIS N N 15 24.97369 1.02983 . . . . . . . 27594 1 126 . 1 1 214 214 GLU N N 15 22.90561 0.27747 . . . . . . . 27594 1 127 . 1 1 224 224 VAL N N 15 23.39244 0.58579 . . . . . . . 27594 1 128 . 1 1 225 225 ASP N N 15 20.93354 0.16111 . . . . . . . 27594 1 129 . 1 1 226 226 SER N N 15 23.43652 0.44316 . . . . . . . 27594 1 130 . 1 1 229 229 ILE N N 15 25.49491 0.56511 . . . . . . . 27594 1 131 . 1 1 230 230 LYS N N 15 25.54913 0.225 . . . . . . . 27594 1 132 . 1 1 231 231 GLN N N 15 25.63343 0.25709 . . . . . . . 27594 1 133 . 1 1 232 232 GLU N N 15 25.3469 0.14829 . . . . . . . 27594 1 134 . 1 1 234 234 ILE N N 15 21.26731 0.36654 . . . . . . . 27594 1 135 . 1 1 235 235 GLU N N 15 23.69114 0.42541 . . . . . . . 27594 1 136 . 1 1 236 236 ILE N N 15 26.30195 0.27513 . . . . . . . 27594 1 137 . 1 1 239 239 MET N N 15 23.95297 0.22643 . . . . . . . 27594 1 138 . 1 1 240 240 GLU N N 15 33.97293 1.33509 . . . . . . . 27594 1 139 . 1 1 241 241 ASP N N 15 91.24456 2.72913 . . . . . . . 27594 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 27594 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 4 '3D HNCO' . . . 27594 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 2 2 2 2 VAL N N 15 113.73336 15.97066 . . . . . . . 27594 2 2 . 2 2 3 3 THR N N 15 113.72567 10.67874 . . . . . . . 27594 2 3 . 2 2 9 9 HIS N N 15 22.71535 0.39131 . . . . . . . 27594 2 4 . 2 2 10 10 SER N N 15 26.35118 0.29813 . . . . . . . 27594 2 5 . 2 2 14 14 THR N N 15 24.45682 0.58977 . . . . . . . 27594 2 6 . 2 2 15 15 VAL N N 15 23.11238 0.54928 . . . . . . . 27594 2 7 . 2 2 16 16 GLY N N 15 22.87531 1.20324 . . . . . . . 27594 2 8 . 2 2 17 17 GLY N N 15 25.87629 0.26842 . . . . . . . 27594 2 9 . 2 2 19 19 GLN N N 15 31.96351 0.77558 . . . . . . . 27594 2 10 . 2 2 20 20 THR N N 15 38.61411 1.72638 . . . . . . . 27594 2 11 . 2 2 21 21 GLU N N 15 38.94301 0.69418 . . . . . . . 27594 2 12 . 2 2 22 22 GLY N N 15 55.45608 1.53114 . . . . . . . 27594 2 13 . 2 2 23 23 ASN N N 15 44.48784 0.63673 . . . . . . . 27594 2 14 . 2 2 25 25 ASN N N 15 38.54622 0.64823 . . . . . . . 27594 2 15 . 2 2 26 26 LYS N N 15 42.27627 1.31928 . . . . . . . 27594 2 16 . 2 2 27 27 PHE N N 15 34.99415 0.73857 . . . . . . . 27594 2 17 . 2 2 28 28 GLY N N 15 31.90887 1.2511 . . . . . . . 27594 2 18 . 2 2 29 29 THR N N 15 24.77545 1.1565 . . . . . . . 27594 2 19 . 2 2 40 40 ASN N N 15 29.28217 0.26353 . . . . . . . 27594 2 20 . 2 2 41 41 ASN N N 15 26.95696 0.41886 . . . . . . . 27594 2 21 . 2 2 42 42 VAL N N 15 29.27666 0.66731 . . . . . . . 27594 2 22 . 2 2 43 43 LEU N N 15 235.43371 32.65857 . . . . . . . 27594 2 23 . 2 2 44 44 THR N N 15 23.37124 0.5084 . . . . . . . 27594 2 24 . 2 2 45 45 ALA N N 15 21.14746 0.6461 . . . . . . . 27594 2 25 . 2 2 46 46 GLU N N 15 24.59688 0.4211 . . . . . . . 27594 2 26 . 2 2 47 47 VAL N N 15 23.01247 1.01494 . . . . . . . 27594 2 27 . 2 2 48 48 ALA N N 15 25.32633 0.42171 . . . . . . . 27594 2 28 . 2 2 49 49 SER N N 15 37.72318 0.92963 . . . . . . . 27594 2 29 . 2 2 51 51 ALA N N 15 33.31024 0.44221 . . . . . . . 27594 2 30 . 2 2 52 52 THR N N 15 24.83214 0.24152 . . . . . . . 27594 2 31 . 2 2 53 53 GLY N N 15 34.33592 1.14117 . . . . . . . 27594 2 32 . 2 2 54 54 GLY N N 15 30.4701 1.7092 . . . . . . . 27594 2 33 . 2 2 55 55 ASN N N 15 26.93368 0.7216 . . . . . . . 27594 2 34 . 2 2 57 57 SER N N 15 21.96709 0.32466 . . . . . . . 27594 2 35 . 2 2 58 58 VAL N N 15 28.82038 0.86029 . . . . . . . 27594 2 36 . 2 2 59 59 THR N N 15 25.60109 0.51786 . . . . . . . 27594 2 37 . 2 2 60 60 CYS N N 15 28.44273 1.00348 . . . . . . . 27594 2 38 . 2 2 62 62 GLY N N 15 21.3486 0.25636 . . . . . . . 27594 2 39 . 2 2 63 63 THR N N 15 25.33177 0.12101 . . . . . . . 27594 2 40 . 2 2 64 64 ASP N N 15 29.14099 0.8433 . . . . . . . 27594 2 41 . 2 2 69 69 THR N N 15 21.40467 0.68044 . . . . . . . 27594 2 42 . 2 2 70 70 VAL N N 15 23.45784 0.14647 . . . . . . . 27594 2 43 . 2 2 71 71 ALA N N 15 24.82452 0.42568 . . . . . . . 27594 2 44 . 2 2 72 72 ILE N N 15 26.37928 0.58785 . . . . . . . 27594 2 45 . 2 2 73 73 ASP N N 15 22.73511 0.1984 . . . . . . . 27594 2 46 . 2 2 74 74 GLY N N 15 23.31879 0.37304 . . . . . . . 27594 2 47 . 2 2 75 75 GLY N N 15 20.63839 0.15572 . . . . . . . 27594 2 48 . 2 2 76 76 GLU N N 15 23.85653 0.45751 . . . . . . . 27594 2 49 . 2 2 77 77 ARG N N 15 26.52099 0.23659 . . . . . . . 27594 2 50 . 2 2 78 78 THR N N 15 25.51405 0.65176 . . . . . . . 27594 2 51 . 2 2 79 79 ASP N N 15 26.63703 0.71282 . . . . . . . 27594 2 52 . 2 2 81 81 THR N N 15 23.4814 3.58858 . . . . . . . 27594 2 53 . 2 2 82 82 LEU N N 15 26.18089 0.78639 . . . . . . . 27594 2 54 . 2 2 84 84 ASN N N 15 21.7477 0.42238 . . . . . . . 27594 2 55 . 2 2 85 85 THR N N 15 27.28562 0.38385 . . . . . . . 27594 2 56 . 2 2 86 86 ALA N N 15 26.35978 0.25544 . . . . . . . 27594 2 57 . 2 2 87 87 SER N N 15 30.46677 0.39598 . . . . . . . 27594 2 58 . 2 2 88 88 ALA N N 15 24.03458 0.26589 . . . . . . . 27594 2 59 . 2 2 89 89 ASP N N 15 31.12397 0.88191 . . . . . . . 27594 2 60 . 2 2 90 90 VAL N N 15 22.23651 0.1534 . . . . . . . 27594 2 61 . 2 2 91 91 VAL N N 15 24.46676 0.08073 . . . . . . . 27594 2 62 . 2 2 92 92 ALA N N 15 20.64286 0.34653 . . . . . . . 27594 2 63 . 2 2 98 98 ASP N N 15 23.36246 0.18585 . . . . . . . 27594 2 64 . 2 2 99 99 ALA N N 15 22.39001 0.56023 . . . . . . . 27594 2 65 . 2 2 100 100 ALA N N 15 23.30373 0.27181 . . . . . . . 27594 2 66 . 2 2 103 103 ASN N N 15 23.33253 0.47433 . . . . . . . 27594 2 67 . 2 2 104 104 LEU N N 15 25.85643 0.2281 . . . . . . . 27594 2 68 . 2 2 106 106 VAL N N 15 22.77383 0.64669 . . . . . . . 27594 2 69 . 2 2 107 107 VAL N N 15 22.28398 0.2818 . . . . . . . 27594 2 70 . 2 2 108 108 ASN N N 15 21.61229 0.2256 . . . . . . . 27594 2 71 . 2 2 109 109 GLN N N 15 20.80607 0.5512 . . . . . . . 27594 2 72 . 2 2 111 111 GLN N N 15 24.21601 0.0572 . . . . . . . 27594 2 73 . 2 2 112 112 GLN N N 15 22.11804 0.24575 . . . . . . . 27594 2 74 . 2 2 113 113 PHE N N 15 25.02891 0.94185 . . . . . . . 27594 2 75 . 2 2 114 114 THR N N 15 24.6613 0.21119 . . . . . . . 27594 2 76 . 2 2 116 116 VAL N N 15 24.90968 0.71359 . . . . . . . 27594 2 77 . 2 2 117 117 SER N N 15 29.03237 0.23077 . . . . . . . 27594 2 78 . 2 2 118 118 GLY N N 15 32.96791 0.39701 . . . . . . . 27594 2 79 . 2 2 120 120 ALA N N 15 29.40024 0.60692 . . . . . . . 27594 2 80 . 2 2 121 121 THR N N 15 24.0047 0.73605 . . . . . . . 27594 2 81 . 2 2 122 122 ALA N N 15 19.40788 0.97701 . . . . . . . 27594 2 82 . 2 2 123 123 VAL N N 15 24.9992 0.86518 . . . . . . . 27594 2 83 . 2 2 125 125 ILE N N 15 23.81189 0.42648 . . . . . . . 27594 2 84 . 2 2 126 126 PHE N N 15 23.60679 0.32505 . . . . . . . 27594 2 85 . 2 2 127 127 GLY N N 15 20.36063 0.53834 . . . . . . . 27594 2 86 . 2 2 128 128 ALA N N 15 22.28169 0.27294 . . . . . . . 27594 2 87 . 2 2 129 129 ILE N N 15 26.74748 0.22547 . . . . . . . 27594 2 88 . 2 2 130 130 ALA N N 15 24.07367 0.12464 . . . . . . . 27594 2 89 . 2 2 132 132 ASN N N 15 23.05816 0.41157 . . . . . . . 27594 2 90 . 2 2 133 133 THR N N 15 26.75085 0.31281 . . . . . . . 27594 2 91 . 2 2 135 135 THR N N 15 48.37421 0.21641 . . . . . . . 27594 2 92 . 2 2 137 137 LYS N N 15 24.57163 0.45577 . . . . . . . 27594 2 93 . 2 2 138 138 ALA N N 15 26.63639 0.9899 . . . . . . . 27594 2 94 . 2 2 139 139 GLN N N 15 25.3301 0.15619 . . . . . . . 27594 2 95 . 2 2 140 140 GLY N N 15 26.67322 0.5443 . . . . . . . 27594 2 96 . 2 2 141 141 ASP N N 15 25.52582 0.16247 . . . . . . . 27594 2 97 . 2 2 143 143 LYS N N 15 24.37953 0.15989 . . . . . . . 27594 2 98 . 2 2 144 144 ASP N N 15 26.05775 0.29891 . . . . . . . 27594 2 99 . 2 2 146 146 LEU N N 15 27.57389 0.56331 . . . . . . . 27594 2 100 . 2 2 147 147 LEU N N 15 24.40209 0.67571 . . . . . . . 27594 2 101 . 2 2 148 148 VAL N N 15 24.56186 0.72408 . . . . . . . 27594 2 stop_ save_