data_27681 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27681 _Entry.Title ; Chemical shift assignments for HSPB1 containing residues 1-176 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-05 _Entry.Accession_date 2018-11-05 _Entry.Last_release_date 2018-11-06 _Entry.Original_release_date 2018-11-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; H, N, C, CA, and CB assignments for human HSPB1 phosphomimetic (Ser15Asp, Ser78Asp, Ser82Asp) construct containing residues 1-176 ; _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 Amanda Clouser . F. . . 27681 2 Rachel Klevit . E. . . 27681 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Washington' . 27681 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 27681 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 294 27681 '15N chemical shifts' 100 27681 '1H chemical shifts' 100 27681 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-10-10 . original BMRB . 27681 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27681 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31573509 _Citation.Full_citation . _Citation.Title ; Interplay of disordered and ordered regions of a human small heat shock protein yields an ensemble of 'quasi-ordered' states ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full eLife _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2050-084X _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 e50259 _Citation.Page_last e50259 _Citation.Year 2019 _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 Amanda Clouser A. F. . . 27681 1 2 'Hannah Er' Baughman H. E. . . 27681 1 3 Benjamin Basanta B. . . . 27681 1 4 Miklos Guttman M. . . . 27681 1 5 Abhinav Nath A. . . . 27681 1 6 Rachel Klevit R. E. . . 27681 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CMT disease' 27681 1 HSPB1 27681 1 IDP 27681 1 phosphorylation 27681 1 sHSP 27681 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27681 _Assembly.ID 1 _Assembly.Name 'HSPB1 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 39706 _Assembly.Enzyme_commission_number . _Assembly.Details 'Disulfide linked homodimer' _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 'HSPB1, Subunit 1' 1 $HSPB1 A . yes native no no 1 . . 27681 1 2 'HSPB1, Subunit 2' 1 $HSPB1 A . yes native no no 1 . . 27681 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 137 137 SG . 2 . 1 CYS 137 137 SG . 'Subunit 1' . 137 CYS SG . 'Subunit 2' . 137 CYS SG 27681 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 2n3j . . 'solution NMR' . 'ACD-only homodimer' . 27681 1 yes PDB 4mjh . . 'X-ray crystallography' . 'ACD-only homodimer' . 27681 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Chaperone 27681 1 'Small heat shock protein (sHSP)' 27681 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HSPB1 _Entity.Sf_category entity _Entity.Sf_framecode HSPB1 _Entity.Entry_ID 27681 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HSPB1 _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 ; MTERRVPFSLLRGPDWDPFR DWYPHSRLFDQAFGLPRLPE EWSQWLGGSSWPGYVRPLPP AAIESPAVAAPAYSRALDRQ LDSGVSEIRHTADRWRVSLD VNHFAPDELTVKTKDGVVEI TGKHEERQDEHGYISRCFTR KYTLPPGVDPTQVSSSLSPE GTLTVEAPMPKLATQS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Phosphomimetic form of HSPB1 (Ser15Asp, Ser78Asp, Ser82Asp) truncated after residue 176' _Entity.Ambiguous_conformational_states yes _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 176 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal region and alpha-crystallin domain' _Entity.Mutation 'S15D, S78D, S82D, 176term' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19853 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; First details: Conformational heterogeneity is observed throughout the protein- multiple assignments for these residues are provided. Second details: The two chemical shift tables correspond to predominant and alternate conformations of the protein based on differences in intensities between peaks assigned to the same residue. Only for residues 64/65 and 66-69 are alternate assignments correlated to the same conformation. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Chaperone 27681 1 'Small heat shock protein (sHSP)' 27681 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 1 MET . 27681 1 2 2 THR . 27681 1 3 3 GLU . 27681 1 4 4 ARG . 27681 1 5 5 ARG . 27681 1 6 6 VAL . 27681 1 7 7 PRO . 27681 1 8 8 PHE . 27681 1 9 9 SER . 27681 1 10 10 LEU . 27681 1 11 11 LEU . 27681 1 12 12 ARG . 27681 1 13 13 GLY . 27681 1 14 14 PRO . 27681 1 15 15 ASP . 27681 1 16 16 TRP . 27681 1 17 17 ASP . 27681 1 18 18 PRO . 27681 1 19 19 PHE . 27681 1 20 20 ARG . 27681 1 21 21 ASP . 27681 1 22 22 TRP . 27681 1 23 23 TYR . 27681 1 24 24 PRO . 27681 1 25 25 HIS . 27681 1 26 26 SER . 27681 1 27 27 ARG . 27681 1 28 28 LEU . 27681 1 29 29 PHE . 27681 1 30 30 ASP . 27681 1 31 31 GLN . 27681 1 32 32 ALA . 27681 1 33 33 PHE . 27681 1 34 34 GLY . 27681 1 35 35 LEU . 27681 1 36 36 PRO . 27681 1 37 37 ARG . 27681 1 38 38 LEU . 27681 1 39 39 PRO . 27681 1 40 40 GLU . 27681 1 41 41 GLU . 27681 1 42 42 TRP . 27681 1 43 43 SER . 27681 1 44 44 GLN . 27681 1 45 45 TRP . 27681 1 46 46 LEU . 27681 1 47 47 GLY . 27681 1 48 48 GLY . 27681 1 49 49 SER . 27681 1 50 50 SER . 27681 1 51 51 TRP . 27681 1 52 52 PRO . 27681 1 53 53 GLY . 27681 1 54 54 TYR . 27681 1 55 55 VAL . 27681 1 56 56 ARG . 27681 1 57 57 PRO . 27681 1 58 58 LEU . 27681 1 59 59 PRO . 27681 1 60 60 PRO . 27681 1 61 61 ALA . 27681 1 62 62 ALA . 27681 1 63 63 ILE . 27681 1 64 64 GLU . 27681 1 65 65 SER . 27681 1 66 66 PRO . 27681 1 67 67 ALA . 27681 1 68 68 VAL . 27681 1 69 69 ALA . 27681 1 70 70 ALA . 27681 1 71 71 PRO . 27681 1 72 72 ALA . 27681 1 73 73 TYR . 27681 1 74 74 SER . 27681 1 75 75 ARG . 27681 1 76 76 ALA . 27681 1 77 77 LEU . 27681 1 78 78 ASP . 27681 1 79 79 ARG . 27681 1 80 80 GLN . 27681 1 81 81 LEU . 27681 1 82 82 ASP . 27681 1 83 83 SER . 27681 1 84 84 GLY . 27681 1 85 85 VAL . 27681 1 86 86 SER . 27681 1 87 87 GLU . 27681 1 88 88 ILE . 27681 1 89 89 ARG . 27681 1 90 90 HIS . 27681 1 91 91 THR . 27681 1 92 92 ALA . 27681 1 93 93 ASP . 27681 1 94 94 ARG . 27681 1 95 95 TRP . 27681 1 96 96 ARG . 27681 1 97 97 VAL . 27681 1 98 98 SER . 27681 1 99 99 LEU . 27681 1 100 100 ASP . 27681 1 101 101 VAL . 27681 1 102 102 ASN . 27681 1 103 103 HIS . 27681 1 104 104 PHE . 27681 1 105 105 ALA . 27681 1 106 106 PRO . 27681 1 107 107 ASP . 27681 1 108 108 GLU . 27681 1 109 109 LEU . 27681 1 110 110 THR . 27681 1 111 111 VAL . 27681 1 112 112 LYS . 27681 1 113 113 THR . 27681 1 114 114 LYS . 27681 1 115 115 ASP . 27681 1 116 116 GLY . 27681 1 117 117 VAL . 27681 1 118 118 VAL . 27681 1 119 119 GLU . 27681 1 120 120 ILE . 27681 1 121 121 THR . 27681 1 122 122 GLY . 27681 1 123 123 LYS . 27681 1 124 124 HIS . 27681 1 125 125 GLU . 27681 1 126 126 GLU . 27681 1 127 127 ARG . 27681 1 128 128 GLN . 27681 1 129 129 ASP . 27681 1 130 130 GLU . 27681 1 131 131 HIS . 27681 1 132 132 GLY . 27681 1 133 133 TYR . 27681 1 134 134 ILE . 27681 1 135 135 SER . 27681 1 136 136 ARG . 27681 1 137 137 CYS . 27681 1 138 138 PHE . 27681 1 139 139 THR . 27681 1 140 140 ARG . 27681 1 141 141 LYS . 27681 1 142 142 TYR . 27681 1 143 143 THR . 27681 1 144 144 LEU . 27681 1 145 145 PRO . 27681 1 146 146 PRO . 27681 1 147 147 GLY . 27681 1 148 148 VAL . 27681 1 149 149 ASP . 27681 1 150 150 PRO . 27681 1 151 151 THR . 27681 1 152 152 GLN . 27681 1 153 153 VAL . 27681 1 154 154 SER . 27681 1 155 155 SER . 27681 1 156 156 SER . 27681 1 157 157 LEU . 27681 1 158 158 SER . 27681 1 159 159 PRO . 27681 1 160 160 GLU . 27681 1 161 161 GLY . 27681 1 162 162 THR . 27681 1 163 163 LEU . 27681 1 164 164 THR . 27681 1 165 165 VAL . 27681 1 166 166 GLU . 27681 1 167 167 ALA . 27681 1 168 168 PRO . 27681 1 169 169 MET . 27681 1 170 170 PRO . 27681 1 171 171 LYS . 27681 1 172 172 LEU . 27681 1 173 173 ALA . 27681 1 174 174 THR . 27681 1 175 175 GLN . 27681 1 176 176 SER . 27681 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 . MET 1 1 27681 1 . THR 2 2 27681 1 . GLU 3 3 27681 1 . ARG 4 4 27681 1 . ARG 5 5 27681 1 . VAL 6 6 27681 1 . PRO 7 7 27681 1 . PHE 8 8 27681 1 . SER 9 9 27681 1 . LEU 10 10 27681 1 . LEU 11 11 27681 1 . ARG 12 12 27681 1 . GLY 13 13 27681 1 . PRO 14 14 27681 1 . ASP 15 15 27681 1 . TRP 16 16 27681 1 . ASP 17 17 27681 1 . PRO 18 18 27681 1 . PHE 19 19 27681 1 . ARG 20 20 27681 1 . ASP 21 21 27681 1 . TRP 22 22 27681 1 . TYR 23 23 27681 1 . PRO 24 24 27681 1 . HIS 25 25 27681 1 . SER 26 26 27681 1 . ARG 27 27 27681 1 . LEU 28 28 27681 1 . PHE 29 29 27681 1 . ASP 30 30 27681 1 . GLN 31 31 27681 1 . ALA 32 32 27681 1 . PHE 33 33 27681 1 . GLY 34 34 27681 1 . LEU 35 35 27681 1 . PRO 36 36 27681 1 . ARG 37 37 27681 1 . LEU 38 38 27681 1 . PRO 39 39 27681 1 . GLU 40 40 27681 1 . GLU 41 41 27681 1 . TRP 42 42 27681 1 . SER 43 43 27681 1 . GLN 44 44 27681 1 . TRP 45 45 27681 1 . LEU 46 46 27681 1 . GLY 47 47 27681 1 . GLY 48 48 27681 1 . SER 49 49 27681 1 . SER 50 50 27681 1 . TRP 51 51 27681 1 . PRO 52 52 27681 1 . GLY 53 53 27681 1 . TYR 54 54 27681 1 . VAL 55 55 27681 1 . ARG 56 56 27681 1 . PRO 57 57 27681 1 . LEU 58 58 27681 1 . PRO 59 59 27681 1 . PRO 60 60 27681 1 . ALA 61 61 27681 1 . ALA 62 62 27681 1 . ILE 63 63 27681 1 . GLU 64 64 27681 1 . SER 65 65 27681 1 . PRO 66 66 27681 1 . ALA 67 67 27681 1 . VAL 68 68 27681 1 . ALA 69 69 27681 1 . ALA 70 70 27681 1 . PRO 71 71 27681 1 . ALA 72 72 27681 1 . TYR 73 73 27681 1 . SER 74 74 27681 1 . ARG 75 75 27681 1 . ALA 76 76 27681 1 . LEU 77 77 27681 1 . ASP 78 78 27681 1 . ARG 79 79 27681 1 . GLN 80 80 27681 1 . LEU 81 81 27681 1 . ASP 82 82 27681 1 . SER 83 83 27681 1 . GLY 84 84 27681 1 . VAL 85 85 27681 1 . SER 86 86 27681 1 . GLU 87 87 27681 1 . ILE 88 88 27681 1 . ARG 89 89 27681 1 . HIS 90 90 27681 1 . THR 91 91 27681 1 . ALA 92 92 27681 1 . ASP 93 93 27681 1 . ARG 94 94 27681 1 . TRP 95 95 27681 1 . ARG 96 96 27681 1 . VAL 97 97 27681 1 . SER 98 98 27681 1 . LEU 99 99 27681 1 . ASP 100 100 27681 1 . VAL 101 101 27681 1 . ASN 102 102 27681 1 . HIS 103 103 27681 1 . PHE 104 104 27681 1 . ALA 105 105 27681 1 . PRO 106 106 27681 1 . ASP 107 107 27681 1 . GLU 108 108 27681 1 . LEU 109 109 27681 1 . THR 110 110 27681 1 . VAL 111 111 27681 1 . LYS 112 112 27681 1 . THR 113 113 27681 1 . LYS 114 114 27681 1 . ASP 115 115 27681 1 . GLY 116 116 27681 1 . VAL 117 117 27681 1 . VAL 118 118 27681 1 . GLU 119 119 27681 1 . ILE 120 120 27681 1 . THR 121 121 27681 1 . GLY 122 122 27681 1 . LYS 123 123 27681 1 . HIS 124 124 27681 1 . GLU 125 125 27681 1 . GLU 126 126 27681 1 . ARG 127 127 27681 1 . GLN 128 128 27681 1 . ASP 129 129 27681 1 . GLU 130 130 27681 1 . HIS 131 131 27681 1 . GLY 132 132 27681 1 . TYR 133 133 27681 1 . ILE 134 134 27681 1 . SER 135 135 27681 1 . ARG 136 136 27681 1 . CYS 137 137 27681 1 . PHE 138 138 27681 1 . THR 139 139 27681 1 . ARG 140 140 27681 1 . LYS 141 141 27681 1 . TYR 142 142 27681 1 . THR 143 143 27681 1 . LEU 144 144 27681 1 . PRO 145 145 27681 1 . PRO 146 146 27681 1 . GLY 147 147 27681 1 . VAL 148 148 27681 1 . ASP 149 149 27681 1 . PRO 150 150 27681 1 . THR 151 151 27681 1 . GLN 152 152 27681 1 . VAL 153 153 27681 1 . SER 154 154 27681 1 . SER 155 155 27681 1 . SER 156 156 27681 1 . LEU 157 157 27681 1 . SER 158 158 27681 1 . PRO 159 159 27681 1 . GLU 160 160 27681 1 . GLY 161 161 27681 1 . THR 162 162 27681 1 . LEU 163 163 27681 1 . THR 164 164 27681 1 . VAL 165 165 27681 1 . GLU 166 166 27681 1 . ALA 167 167 27681 1 . PRO 168 168 27681 1 . MET 169 169 27681 1 . PRO 170 170 27681 1 . LYS 171 171 27681 1 . LEU 172 172 27681 1 . ALA 173 173 27681 1 . THR 174 174 27681 1 . GLN 175 175 27681 1 . SER 176 176 27681 1 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 27681 _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 $HSPB1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27681 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 27681 _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 $HSPB1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET151d . . . 27681 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27681 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Deuteration levels of ~80% and ~99% were used in different samples' _Sample.Aggregate_sample_number 2 _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 HSPB1 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $HSPB1 . . 0.5 . . mM . . . . 27681 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27681 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27681 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27681 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27681 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Deuteration levels of ~80% and ~99% were used in different samples' _Sample.Aggregate_sample_number 2 _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 HSPB1 '[U-13C; U-15N; U-2H]' . . 1 $HSPB1 . . 0.5 . . mM . . . . 27681 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27681 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27681 2 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27681 2 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 27681 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27681 1 pH 7.5 . pH 27681 1 pressure 1 . atm 27681 1 temperature 303 . K 27681 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27681 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27681 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27681 1 . 'peak picking' 27681 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27681 _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' . . 27681 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27681 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27681 _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' . . 27681 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27681 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 27681 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27681 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27681 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 800 . . . 27681 1 2 spectrometer_2 Bruker Avance . 600 . . . 27681 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 27681 _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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27681 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27681 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27681 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27681 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27681 1 6 '3D HNCOCANNH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27681 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27681 1 8 '3D HNCB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27681 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 27681 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 external indirect 0.251449530 . . . . . 27681 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 27681 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . 27681 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 27681 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 HNCO' . . . 27681 1 2 '3D HNCA' . . . 27681 1 3 '3D HNCACB' . . . 27681 1 4 '3D HNCACB' . . . 27681 1 5 '3D HN(CO)CA' . . . 27681 1 6 '3D HNCOCANNH' . . . 27681 1 7 '3D HN(CA)CO' . . . 27681 1 8 '3D HNCB' . . . 27681 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 34 34 GLY C C 13 176.137 . . . . . . . . 34 GLY C . 27681 1 2 . 1 1 34 34 GLY CA C 13 44.840 . . . . . . . . 34 GLY CA . 27681 1 3 . 1 1 35 35 LEU H H 1 8.686 . . . . . . . . 35 LEU H . 27681 1 4 . 1 1 35 35 LEU CA C 13 53.648 . . . . . . . . 35 LEU CA . 27681 1 5 . 1 1 35 35 LEU N N 15 127.056 . . . . . . . . 35 LEU N . 27681 1 6 . 1 1 46 46 LEU C C 13 177.654 . . . . . . . . 46 LEU C . 27681 1 7 . 1 1 46 46 LEU CA C 13 53.730 . . . . . . . . 46 LEU CA . 27681 1 8 . 1 1 47 47 GLY H H 1 7.812 . . . . . . . . 47 GLY H . 27681 1 9 . 1 1 47 47 GLY C C 13 177.081 . . . . . . . . 47 GLY C . 27681 1 10 . 1 1 47 47 GLY CA C 13 44.580 . . . . . . . . 47 GLY CA . 27681 1 11 . 1 1 47 47 GLY N N 15 110.904 . . . . . . . . 47 GLY N . 27681 1 12 . 1 1 48 48 GLY H H 1 8.139 . . . . . . . . 48 GLY H . 27681 1 13 . 1 1 48 48 GLY C C 13 174.815 . . . . . . . . 48 GLY C . 27681 1 14 . 1 1 48 48 GLY CA C 13 44.550 . . . . . . . . 48 GLY CA . 27681 1 15 . 1 1 48 48 GLY N N 15 111.260 . . . . . . . . 48 GLY N . 27681 1 16 . 1 1 49 49 SER H H 1 7.705 . . . . . . . . 49 SER H . 27681 1 17 . 1 1 49 49 SER CA C 13 58.083 . . . . . . . . 49 SER CA . 27681 1 18 . 1 1 49 49 SER CB C 13 63.547 . . . . . . . . 49 SER CB . 27681 1 19 . 1 1 49 49 SER N N 15 117.399 . . . . . . . . 49 SER N . 27681 1 20 . 1 1 61 61 ALA C C 13 177.481 . . . . . . . . 61 ALA C . 27681 1 21 . 1 1 62 62 ALA H H 1 8.076 . . . . . . . . 62 ALA H . 27681 1 22 . 1 1 62 62 ALA C C 13 177.522 . . . . . . . . 62 ALA C . 27681 1 23 . 1 1 62 62 ALA CA C 13 51.884 . . . . . . . . 62 ALA CA . 27681 1 24 . 1 1 62 62 ALA CB C 13 18.340 . . . . . . . . 62 ALA CB . 27681 1 25 . 1 1 62 62 ALA N N 15 123.165 . . . . . . . . 62 ALA N . 27681 1 26 . 1 1 63 63 ILE H H 1 7.855 . . . . . . . . 63 ILE H . 27681 1 27 . 1 1 63 63 ILE C C 13 176.152 . . . . . . . . 63 ILE C . 27681 1 28 . 1 1 63 63 ILE CA C 13 60.677 . . . . . . . . 63 ILE CA . 27681 1 29 . 1 1 63 63 ILE CB C 13 37.824 . . . . . . . . 63 ILE CB . 27681 1 30 . 1 1 63 63 ILE N N 15 119.714 . . . . . . . . 63 ILE N . 27681 1 31 . 1 1 64 64 GLU H H 1 8.270 . . . . . . . . 64 GLU H . 27681 1 32 . 1 1 64 64 GLU C C 13 176.000 . . . . . . . . 64 GLU C . 27681 1 33 . 1 1 64 64 GLU CA C 13 55.998 . . . . . . . . 64 GLU CA . 27681 1 34 . 1 1 64 64 GLU CB C 13 29.435 . . . . . . . . 64 GLU CB . 27681 1 35 . 1 1 64 64 GLU N N 15 124.398 . . . . . . . . 64 GLU N . 27681 1 36 . 1 1 65 65 SER H H 1 8.143 . . . . . . . . 65 SER H . 27681 1 37 . 1 1 65 65 SER CA C 13 55.877 . . . . . . . . 65 SER CA . 27681 1 38 . 1 1 65 65 SER CB C 13 62.837 . . . . . . . . 65 SER CB . 27681 1 39 . 1 1 65 65 SER N N 15 118.262 . . . . . . . . 65 SER N . 27681 1 40 . 1 1 66 66 PRO C C 13 176.720 . . . . . . . . 66 PRO C . 27681 1 41 . 1 1 66 66 PRO CA C 13 62.576 . . . . . . . . 66 PRO CA . 27681 1 42 . 1 1 66 66 PRO CB C 13 31.162 . . . . . . . . 66 PRO CB . 27681 1 43 . 1 1 67 67 ALA H H 1 8.218 . . . . . . . . 67 ALA H . 27681 1 44 . 1 1 67 67 ALA C C 13 177.704 . . . . . . . . 67 ALA C . 27681 1 45 . 1 1 67 67 ALA CA C 13 52.444 . . . . . . . . 67 ALA CA . 27681 1 46 . 1 1 67 67 ALA CB C 13 18.339 . . . . . . . . 67 ALA CB . 27681 1 47 . 1 1 67 67 ALA N N 15 123.807 . . . . . . . . 67 ALA N . 27681 1 48 . 1 1 68 68 VAL H H 1 7.766 . . . . . . . . 68 VAL H . 27681 1 49 . 1 1 68 68 VAL C C 13 175.577 . . . . . . . . 68 VAL C . 27681 1 50 . 1 1 68 68 VAL CA C 13 61.541 . . . . . . . . 68 VAL CA . 27681 1 51 . 1 1 68 68 VAL CB C 13 31.907 . . . . . . . . 68 VAL CB . 27681 1 52 . 1 1 68 68 VAL N N 15 118.568 . . . . . . . . 68 VAL N . 27681 1 53 . 1 1 69 69 ALA H H 1 8.106 . . . . . . . . 69 ALA H . 27681 1 54 . 1 1 69 69 ALA C C 13 176.795 . . . . . . . . 69 ALA C . 27681 1 55 . 1 1 69 69 ALA CA C 13 51.659 . . . . . . . . 69 ALA CA . 27681 1 56 . 1 1 69 69 ALA CB C 13 18.391 . . . . . . . . 69 ALA CB . 27681 1 57 . 1 1 69 69 ALA N N 15 127.297 . . . . . . . . 69 ALA N . 27681 1 58 . 1 1 70 70 ALA H H 1 8.041 . . . . . . . . 70 ALA H . 27681 1 59 . 1 1 70 70 ALA C C 13 175.456 . . . . . . . . 70 ALA C . 27681 1 60 . 1 1 70 70 ALA CA C 13 49.999 . . . . . . . . 70 ALA CA . 27681 1 61 . 1 1 70 70 ALA CB C 13 17.278 . . . . . . . . 70 ALA CB . 27681 1 62 . 1 1 70 70 ALA N N 15 124.738 . . . . . . . . 70 ALA N . 27681 1 63 . 1 1 71 71 PRO C C 13 176.648 . . . . . . . . 71 PRO C . 27681 1 64 . 1 1 71 71 PRO CA C 13 62.649 . . . . . . . . 71 PRO CA . 27681 1 65 . 1 1 71 71 PRO CB C 13 30.972 . . . . . . . . 71 PRO CB . 27681 1 66 . 1 1 72 72 ALA H H 1 8.152 . . . . . . . . 72 ALA H . 27681 1 67 . 1 1 72 72 ALA C C 13 177.583 . . . . . . . . 72 ALA C . 27681 1 68 . 1 1 72 72 ALA CA C 13 51.973 . . . . . . . . 72 ALA CA . 27681 1 69 . 1 1 72 72 ALA CB C 13 18.288 . . . . . . . . 72 ALA CB . 27681 1 70 . 1 1 72 72 ALA N N 15 123.776 . . . . . . . . 72 ALA N . 27681 1 71 . 1 1 73 73 TYR H H 1 7.855 . . . . . . . . 73 TYR H . 27681 1 72 . 1 1 73 73 TYR C C 13 175.946 . . . . . . . . 73 TYR C . 27681 1 73 . 1 1 73 73 TYR CA C 13 57.467 . . . . . . . . 73 TYR CA . 27681 1 74 . 1 1 73 73 TYR CB C 13 37.790 . . . . . . . . 73 TYR CB . 27681 1 75 . 1 1 73 73 TYR N N 15 118.512 . . . . . . . . 73 TYR N . 27681 1 76 . 1 1 74 74 SER H H 1 7.927 . . . . . . . . 74 SER H . 27681 1 77 . 1 1 74 74 SER CA C 13 57.810 . . . . . . . . 74 SER CA . 27681 1 78 . 1 1 74 74 SER CB C 13 63.97 . . . . . . . . 74 SER CB . 27681 1 79 . 1 1 74 74 SER N N 15 117.420 . . . . . . . . 74 SER N . 27681 1 80 . 1 1 75 75 ARG C C 13 176.041 . . . . . . . . 75 ARG C . 27681 1 81 . 1 1 75 75 ARG CA C 13 55.703 . . . . . . . . 75 ARG CA . 27681 1 82 . 1 1 75 75 ARG CB C 13 31.174 . . . . . . . . 75 ARG CB . 27681 1 83 . 1 1 76 76 ALA H H 1 8.093 . . . . . . . . 76 ALA H . 27681 1 84 . 1 1 76 76 ALA C C 13 177.706 . . . . . . . . 76 ALA C . 27681 1 85 . 1 1 76 76 ALA CA C 13 52.215 . . . . . . . . 76 ALA CA . 27681 1 86 . 1 1 76 76 ALA CB C 13 18.205 . . . . . . . . 76 ALA CB . 27681 1 87 . 1 1 76 76 ALA N N 15 124.559 . . . . . . . . 76 ALA N . 27681 1 88 . 1 1 77 77 LEU H H 1 7.944 . . . . . . . . 77 LEU H . 27681 1 89 . 1 1 77 77 LEU C C 13 177.080 . . . . . . . . 77 LEU C . 27681 1 90 . 1 1 77 77 LEU CA C 13 54.961 . . . . . . . . 77 LEU CA . 27681 1 91 . 1 1 77 77 LEU CB C 13 41.407 . . . . . . . . 77 LEU CB . 27681 1 92 . 1 1 77 77 LEU N N 15 121.055 . . . . . . . . 77 LEU N . 27681 1 93 . 1 1 78 78 ASP H H 1 8.103 . . . . . . . . 78 ASP H . 27681 1 94 . 1 1 78 78 ASP C C 13 176.164 . . . . . . . . 78 ASP C . 27681 1 95 . 1 1 78 78 ASP CA C 13 53.918 . . . . . . . . 78 ASP CA . 27681 1 96 . 1 1 78 78 ASP CB C 13 40.429 . . . . . . . . 78 ASP CB . 27681 1 97 . 1 1 78 78 ASP N N 15 120.929 . . . . . . . . 78 ASP N . 27681 1 98 . 1 1 79 79 ARG H H 1 7.954 . . . . . . . . 79 ARG H . 27681 1 99 . 1 1 79 79 ARG CA C 13 55.671 . . . . . . . . 79 ARG CA . 27681 1 100 . 1 1 79 79 ARG N N 15 121.432 . . . . . . . . 79 ARG N . 27681 1 101 . 1 1 84 84 GLY H H 1 8.388 . . . . . . . . 84 GLY H . 27681 1 102 . 1 1 84 84 GLY CA C 13 45.094 . . . . . . . . 84 GLY CA . 27681 1 103 . 1 1 84 84 GLY N N 15 110.654 . . . . . . . . 84 GLY N . 27681 1 104 . 1 1 88 88 ILE C C 13 176.385 . . . . . . . . 88 ILE C . 27681 1 105 . 1 1 88 88 ILE CA C 13 60.387 . . . . . . . . 88 ILE CA . 27681 1 106 . 1 1 89 89 ARG H H 1 8.201 . . . . . . . . 89 ARG H . 27681 1 107 . 1 1 89 89 ARG CA C 13 54.618 . . . . . . . . 89 ARG CA . 27681 1 108 . 1 1 89 89 ARG N N 15 126.404 . . . . . . . . 89 ARG N . 27681 1 109 . 1 1 94 94 ARG CA C 13 57 . . . . . . . . 94 ARG CA . 27681 1 110 . 1 1 95 95 TRP H H 1 9.054 . . . . . . . . 95 TRP H . 27681 1 111 . 1 1 95 95 TRP CA C 13 54.9 . . . . . . . . 95 TRP CA . 27681 1 112 . 1 1 95 95 TRP N N 15 128.811 . . . . . . . . 95 TRP N . 27681 1 113 . 1 1 96 96 ARG C C 13 173.252 . . . . . . . . 96 ARG C . 27681 1 114 . 1 1 96 96 ARG CA C 13 55.202 . . . . . . . . 96 ARG CA . 27681 1 115 . 1 1 96 96 ARG CB C 13 32.277 . . . . . . . . 96 ARG CB . 27681 1 116 . 1 1 97 97 VAL H H 1 8.186 . . . . . . . . 97 VAL H . 27681 1 117 . 1 1 97 97 VAL C C 13 173.290 . . . . . . . . 97 VAL C . 27681 1 118 . 1 1 97 97 VAL CA C 13 58.823 . . . . . . . . 97 VAL CA . 27681 1 119 . 1 1 97 97 VAL CB C 13 33.930 . . . . . . . . 97 VAL CB . 27681 1 120 . 1 1 97 97 VAL N N 15 120.099 . . . . . . . . 97 VAL N . 27681 1 121 . 1 1 98 98 SER H H 1 8.574 . . . . . . . . 98 SER H . 27681 1 122 . 1 1 98 98 SER C C 13 172.358 . . . . . . . . 98 SER C . 27681 1 123 . 1 1 98 98 SER CA C 13 57.235 . . . . . . . . 98 SER CA . 27681 1 124 . 1 1 98 98 SER CB C 13 66.255 . . . . . . . . 98 SER CB . 27681 1 125 . 1 1 98 98 SER N N 15 119.262 . . . . . . . . 98 SER N . 27681 1 126 . 1 1 99 99 LEU H H 1 9.2 . . . . . . . . 99 LEU H . 27681 1 127 . 1 1 99 99 LEU C C 13 177.925 . . . . . . . . 99 LEU C . 27681 1 128 . 1 1 99 99 LEU CA C 13 53.916 . . . . . . . . 99 LEU CA . 27681 1 129 . 1 1 99 99 LEU CB C 13 35.074 . . . . . . . . 99 LEU CB . 27681 1 130 . 1 1 99 99 LEU N N 15 123.253 . . . . . . . . 99 LEU N . 27681 1 131 . 1 1 103 103 HIS CB C 13 30.268 . . . . . . . . 103 HIS CB . 27681 1 132 . 1 1 104 104 PHE H H 1 8.816 . . . . . . . . 104 PHE H . 27681 1 133 . 1 1 104 104 PHE C C 13 173.548 . . . . . . . . 104 PHE C . 27681 1 134 . 1 1 104 104 PHE CA C 13 57.038 . . . . . . . . 104 PHE CA . 27681 1 135 . 1 1 104 104 PHE CB C 13 40.298 . . . . . . . . 104 PHE CB . 27681 1 136 . 1 1 104 104 PHE N N 15 118.449 . . . . . . . . 104 PHE N . 27681 1 137 . 1 1 105 105 ALA H H 1 9.251 . . . . . . . . 105 ALA H . 27681 1 138 . 1 1 105 105 ALA CA C 13 49.722 . . . . . . . . 105 ALA CA . 27681 1 139 . 1 1 105 105 ALA CB C 13 17.766 . . . . . . . . 105 ALA CB . 27681 1 140 . 1 1 105 105 ALA N N 15 126.763 . . . . . . . . 105 ALA N . 27681 1 141 . 1 1 108 108 GLU C C 13 174.730 . . . . . . . . 108 GLU C . 27681 1 142 . 1 1 108 108 GLU CA C 13 55.761 . . . . . . . . 108 GLU CA . 27681 1 143 . 1 1 109 109 LEU H H 1 6.791 . . . . . . . . 109 LEU H . 27681 1 144 . 1 1 109 109 LEU C C 13 176.257 . . . . . . . . 109 LEU C . 27681 1 145 . 1 1 109 109 LEU CA C 13 52.655 . . . . . . . . 109 LEU CA . 27681 1 146 . 1 1 109 109 LEU CB C 13 45.977 . . . . . . . . 109 LEU CB . 27681 1 147 . 1 1 109 109 LEU N N 15 120.264 . . . . . . . . 109 LEU N . 27681 1 148 . 1 1 110 110 THR H H 1 8.723 . . . . . . . . 110 THR H . 27681 1 149 . 1 1 110 110 THR CA C 13 61.070 . . . . . . . . 110 THR CA . 27681 1 150 . 1 1 110 110 THR CB C 13 71.389 . . . . . . . . 110 THR CB . 27681 1 151 . 1 1 110 110 THR N N 15 112.675 . . . . . . . . 110 THR N . 27681 1 152 . 1 1 111 111 VAL H H 1 8.954 . . . . . . . . 111 VAL H . 27681 1 153 . 1 1 111 111 VAL C C 13 175.630 . . . . . . . . 111 VAL C . 27681 1 154 . 1 1 111 111 VAL CA C 13 61.255 . . . . . . . . 111 VAL CA . 27681 1 155 . 1 1 111 111 VAL CB C 13 32.202 . . . . . . . . 111 VAL CB . 27681 1 156 . 1 1 111 111 VAL N N 15 124.389 . . . . . . . . 111 VAL N . 27681 1 157 . 1 1 112 112 LYS H H 1 9.229 . . . . . . . . 112 LYS H . 27681 1 158 . 1 1 112 112 LYS C C 13 175.218 . . . . . . . . 112 LYS C . 27681 1 159 . 1 1 112 112 LYS CA C 13 54.691 . . . . . . . . 112 LYS CA . 27681 1 160 . 1 1 112 112 LYS CB C 13 36.823 . . . . . . . . 112 LYS CB . 27681 1 161 . 1 1 112 112 LYS N N 15 127.338 . . . . . . . . 112 LYS N . 27681 1 162 . 1 1 113 113 THR H H 1 9.115 . . . . . . . . 113 THR H . 27681 1 163 . 1 1 113 113 THR C C 13 173.360 . . . . . . . . 113 THR C . 27681 1 164 . 1 1 113 113 THR CA C 13 59.500 . . . . . . . . 113 THR CA . 27681 1 165 . 1 1 113 113 THR CB C 13 69.986 . . . . . . . . 113 THR CB . 27681 1 166 . 1 1 113 113 THR N N 15 112.747 . . . . . . . . 113 THR N . 27681 1 167 . 1 1 114 114 LYS H H 1 8.630 . . . . . . . . 114 LYS H . 27681 1 168 . 1 1 114 114 LYS C C 13 175.603 . . . . . . . . 114 LYS C . 27681 1 169 . 1 1 114 114 LYS CA C 13 55.625 . . . . . . . . 114 LYS CA . 27681 1 170 . 1 1 114 114 LYS CB C 13 33.660 . . . . . . . . 114 LYS CB . 27681 1 171 . 1 1 114 114 LYS N N 15 123.575 . . . . . . . . 114 LYS N . 27681 1 172 . 1 1 115 115 ASP H H 1 8.846 . . . . . . . . 115 ASP H . 27681 1 173 . 1 1 115 115 ASP C C 13 175.597 . . . . . . . . 115 ASP C . 27681 1 174 . 1 1 115 115 ASP CA C 13 55.701 . . . . . . . . 115 ASP CA . 27681 1 175 . 1 1 115 115 ASP CB C 13 39.471 . . . . . . . . 115 ASP CB . 27681 1 176 . 1 1 115 115 ASP N N 15 124.646 . . . . . . . . 115 ASP N . 27681 1 177 . 1 1 116 116 GLY H H 1 8.619 . . . . . . . . 116 GLY H . 27681 1 178 . 1 1 116 116 GLY C C 13 173.554 . . . . . . . . 116 GLY C . 27681 1 179 . 1 1 116 116 GLY CA C 13 45.433 . . . . . . . . 116 GLY CA . 27681 1 180 . 1 1 116 116 GLY N N 15 106.432 . . . . . . . . 116 GLY N . 27681 1 181 . 1 1 117 117 VAL H H 1 7.896 . . . . . . . . 117 VAL H . 27681 1 182 . 1 1 117 117 VAL C C 13 175.656 . . . . . . . . 117 VAL C . 27681 1 183 . 1 1 117 117 VAL CA C 13 59.741 . . . . . . . . 117 VAL CA . 27681 1 184 . 1 1 117 117 VAL CB C 13 31.910 . . . . . . . . 117 VAL CB . 27681 1 185 . 1 1 117 117 VAL N N 15 120.051 . . . . . . . . 117 VAL N . 27681 1 186 . 1 1 118 118 VAL H H 1 9.081 . . . . . . . . 118 VAL H . 27681 1 187 . 1 1 118 118 VAL C C 13 173.408 . . . . . . . . 118 VAL C . 27681 1 188 . 1 1 118 118 VAL CA C 13 60.787 . . . . . . . . 118 VAL CA . 27681 1 189 . 1 1 118 118 VAL CB C 13 33.082 . . . . . . . . 118 VAL CB . 27681 1 190 . 1 1 118 118 VAL N N 15 124.586 . . . . . . . . 118 VAL N . 27681 1 191 . 1 1 119 119 GLU H H 1 9.401 . . . . . . . . 119 GLU H . 27681 1 192 . 1 1 119 119 GLU C C 13 175.170 . . . . . . . . 119 GLU C . 27681 1 193 . 1 1 119 119 GLU CA C 13 53.889 . . . . . . . . 119 GLU CA . 27681 1 194 . 1 1 119 119 GLU CB C 13 32.851 . . . . . . . . 119 GLU CB . 27681 1 195 . 1 1 119 119 GLU N N 15 128.945 . . . . . . . . 119 GLU N . 27681 1 196 . 1 1 120 120 ILE H H 1 9.668 . . . . . . . . 120 ILE H . 27681 1 197 . 1 1 120 120 ILE CA C 13 59.606 . . . . . . . . 120 ILE CA . 27681 1 198 . 1 1 120 120 ILE CB C 13 40.788 . . . . . . . . 120 ILE CB . 27681 1 199 . 1 1 120 120 ILE N N 15 129.810 . . . . . . . . 120 ILE N . 27681 1 200 . 1 1 122 122 GLY C C 13 172.094 . . . . . . . . 122 GLY C . 27681 1 201 . 1 1 122 122 GLY CA C 13 43.449 . . . . . . . . 122 GLY CA . 27681 1 202 . 1 1 123 123 LYS H H 1 7.966 . . . . . . . . 123 LYS H . 27681 1 203 . 1 1 123 123 LYS C C 13 174.598 . . . . . . . . 123 LYS C . 27681 1 204 . 1 1 123 123 LYS CA C 13 56.322 . . . . . . . . 123 LYS CA . 27681 1 205 . 1 1 123 123 LYS CB C 13 33.988 . . . . . . . . 123 LYS CB . 27681 1 206 . 1 1 123 123 LYS N N 15 123.343 . . . . . . . . 123 LYS N . 27681 1 207 . 1 1 124 124 HIS H H 1 8.947 . . . . . . . . 124 HIS H . 27681 1 208 . 1 1 124 124 HIS C C 13 175.107 . . . . . . . . 124 HIS C . 27681 1 209 . 1 1 124 124 HIS CA C 13 53.637 . . . . . . . . 124 HIS CA . 27681 1 210 . 1 1 124 124 HIS CB C 13 32.088 . . . . . . . . 124 HIS CB . 27681 1 211 . 1 1 124 124 HIS N N 15 122.209 . . . . . . . . 124 HIS N . 27681 1 212 . 1 1 125 125 GLU H H 1 8.972 . . . . . . . . 125 GLU H . 27681 1 213 . 1 1 125 125 GLU C C 13 176.642 . . . . . . . . 125 GLU C . 27681 1 214 . 1 1 125 125 GLU CA C 13 54.518 . . . . . . . . 125 GLU CA . 27681 1 215 . 1 1 125 125 GLU CB C 13 29.361 . . . . . . . . 125 GLU CB . 27681 1 216 . 1 1 125 125 GLU N N 15 122.554 . . . . . . . . 125 GLU N . 27681 1 217 . 1 1 126 126 GLU H H 1 8.727 . . . . . . . . 126 GLU H . 27681 1 218 . 1 1 126 126 GLU C C 13 176.078 . . . . . . . . 126 GLU C . 27681 1 219 . 1 1 126 126 GLU CA C 13 57.953 . . . . . . . . 126 GLU CA . 27681 1 220 . 1 1 126 126 GLU CB C 13 29.470 . . . . . . . . 126 GLU CB . 27681 1 221 . 1 1 126 126 GLU N N 15 121.165 . . . . . . . . 126 GLU N . 27681 1 222 . 1 1 127 127 ARG H H 1 8.900 . . . . . . . . 127 ARG H . 27681 1 223 . 1 1 127 127 ARG C C 13 174.736 . . . . . . . . 127 ARG C . 27681 1 224 . 1 1 127 127 ARG CA C 13 53.863 . . . . . . . . 127 ARG CA . 27681 1 225 . 1 1 127 127 ARG CB C 13 32.447 . . . . . . . . 127 ARG CB . 27681 1 226 . 1 1 127 127 ARG N N 15 124.440 . . . . . . . . 127 ARG N . 27681 1 227 . 1 1 128 128 GLN H H 1 8.691 . . . . . . . . 128 GLN H . 27681 1 228 . 1 1 128 128 GLN C C 13 176.322 . . . . . . . . 128 GLN C . 27681 1 229 . 1 1 128 128 GLN CA C 13 55.216 . . . . . . . . 128 GLN CA . 27681 1 230 . 1 1 128 128 GLN CB C 13 29.156 . . . . . . . . 128 GLN CB . 27681 1 231 . 1 1 128 128 GLN N N 15 122.709 . . . . . . . . 128 GLN N . 27681 1 232 . 1 1 129 129 ASP H H 1 8.931 . . . . . . . . 129 ASP H . 27681 1 233 . 1 1 129 129 ASP CA C 13 51.871 . . . . . . . . 129 ASP CA . 27681 1 234 . 1 1 129 129 ASP CB C 13 41.095 . . . . . . . . 129 ASP CB . 27681 1 235 . 1 1 129 129 ASP N N 15 128.568 . . . . . . . . 129 ASP N . 27681 1 236 . 1 1 130 130 GLU H H 1 8.835 . . . . . . . . 130 GLU H . 27681 1 237 . 1 1 130 130 GLU C C 13 176.911 . . . . . . . . 130 GLU C . 27681 1 238 . 1 1 130 130 GLU CA C 13 58.53 . . . . . . . . 130 GLU CA . 27681 1 239 . 1 1 130 130 GLU N N 15 116.16 . . . . . . . . 130 GLU N . 27681 1 240 . 1 1 131 131 HIS H H 1 7.849 . . . . . . . . 131 HIS H . 27681 1 241 . 1 1 131 131 HIS C C 13 175.814 . . . . . . . . 131 HIS C . 27681 1 242 . 1 1 131 131 HIS CA C 13 55.457 . . . . . . . . 131 HIS CA . 27681 1 243 . 1 1 131 131 HIS CB C 13 32.369 . . . . . . . . 131 HIS CB . 27681 1 244 . 1 1 131 131 HIS N N 15 116.188 . . . . . . . . 131 HIS N . 27681 1 245 . 1 1 132 132 GLY H H 1 7.461 . . . . . . . . 132 GLY H . 27681 1 246 . 1 1 132 132 GLY C C 13 170.927 . . . . . . . . 132 GLY C . 27681 1 247 . 1 1 132 132 GLY CA C 13 45.872 . . . . . . . . 132 GLY CA . 27681 1 248 . 1 1 132 132 GLY N N 15 108.704 . . . . . . . . 132 GLY N . 27681 1 249 . 1 1 133 133 TYR H H 1 8.497 . . . . . . . . 133 TYR H . 27681 1 250 . 1 1 133 133 TYR CA C 13 56.594 . . . . . . . . 133 TYR CA . 27681 1 251 . 1 1 133 133 TYR CB C 13 40.969 . . . . . . . . 133 TYR CB . 27681 1 252 . 1 1 133 133 TYR N N 15 122.420 . . . . . . . . 133 TYR N . 27681 1 253 . 1 1 135 135 SER C C 13 172.626 . . . . . . . . 135 SER C . 27681 1 254 . 1 1 136 136 ARG H H 1 5.868 . . . . . . . . 136 ARG H . 27681 1 255 . 1 1 136 136 ARG C C 13 175.201 . . . . . . . . 136 ARG C . 27681 1 256 . 1 1 136 136 ARG CA C 13 55.099 . . . . . . . . 136 ARG CA . 27681 1 257 . 1 1 136 136 ARG N N 15 115.677 . . . . . . . . 136 ARG N . 27681 1 258 . 1 1 137 137 CYS H H 1 9.517 . . . . . . . . 137 CYS H . 27681 1 259 . 1 1 137 137 CYS C C 13 173.301 . . . . . . . . 137 CYS C . 27681 1 260 . 1 1 137 137 CYS CA C 13 56.339 . . . . . . . . 137 CYS CA . 27681 1 261 . 1 1 137 137 CYS CB C 13 41.150 . . . . . . . . 137 CYS CB . 27681 1 262 . 1 1 137 137 CYS N N 15 118.037 . . . . . . . . 137 CYS N . 27681 1 263 . 1 1 138 138 PHE H H 1 8.882 . . . . . . . . 138 PHE H . 27681 1 264 . 1 1 138 138 PHE C C 13 173.703 . . . . . . . . 138 PHE C . 27681 1 265 . 1 1 138 138 PHE CA C 13 58.020 . . . . . . . . 138 PHE CA . 27681 1 266 . 1 1 138 138 PHE CB C 13 40.832 . . . . . . . . 138 PHE CB . 27681 1 267 . 1 1 138 138 PHE N N 15 118.769 . . . . . . . . 138 PHE N . 27681 1 268 . 1 1 139 139 THR H H 1 8.353 . . . . . . . . 139 THR H . 27681 1 269 . 1 1 139 139 THR C C 13 172.705 . . . . . . . . 139 THR C . 27681 1 270 . 1 1 139 139 THR CA C 13 62.180 . . . . . . . . 139 THR CA . 27681 1 271 . 1 1 139 139 THR CB C 13 71.529 . . . . . . . . 139 THR CB . 27681 1 272 . 1 1 139 139 THR N N 15 116.144 . . . . . . . . 139 THR N . 27681 1 273 . 1 1 140 140 ARG H H 1 9.795 . . . . . . . . 140 ARG H . 27681 1 274 . 1 1 140 140 ARG CA C 13 52.920 . . . . . . . . 140 ARG CA . 27681 1 275 . 1 1 140 140 ARG N N 15 129.181 . . . . . . . . 140 ARG N . 27681 1 276 . 1 1 141 141 LYS C C 13 175.920 . . . . . . . . 141 LYS C . 27681 1 277 . 1 1 141 141 LYS CA C 13 54.082 . . . . . . . . 141 LYS CA . 27681 1 278 . 1 1 141 141 LYS CB C 13 35.739 . . . . . . . . 141 LYS CB . 27681 1 279 . 1 1 142 142 TYR H H 1 9.297 . . . . . . . . 142 TYR H . 27681 1 280 . 1 1 142 142 TYR C C 13 175.624 . . . . . . . . 142 TYR C . 27681 1 281 . 1 1 142 142 TYR CA C 13 55.991 . . . . . . . . 142 TYR CA . 27681 1 282 . 1 1 142 142 TYR CB C 13 41.252 . . . . . . . . 142 TYR CB . 27681 1 283 . 1 1 142 142 TYR N N 15 121.297 . . . . . . . . 142 TYR N . 27681 1 284 . 1 1 143 143 THR H H 1 8.979 . . . . . . . . 143 THR H . 27681 1 285 . 1 1 143 143 THR C C 13 174.515 . . . . . . . . 143 THR C . 27681 1 286 . 1 1 143 143 THR CA C 13 62.775 . . . . . . . . 143 THR CA . 27681 1 287 . 1 1 143 143 THR CB C 13 68.673 . . . . . . . . 143 THR CB . 27681 1 288 . 1 1 143 143 THR N N 15 119.860 . . . . . . . . 143 THR N . 27681 1 289 . 1 1 144 144 LEU H H 1 8.188 . . . . . . . . 144 LEU H . 27681 1 290 . 1 1 144 144 LEU CA C 13 52.232 . . . . . . . . 144 LEU CA . 27681 1 291 . 1 1 144 144 LEU CB C 13 40.464 . . . . . . . . 144 LEU CB . 27681 1 292 . 1 1 144 144 LEU N N 15 128.597 . . . . . . . . 144 LEU N . 27681 1 293 . 1 1 146 146 PRO C C 13 177.567 . . . . . . . . 146 PRO C . 27681 1 294 . 1 1 146 146 PRO CA C 13 63.152 . . . . . . . . 146 PRO CA . 27681 1 295 . 1 1 146 146 PRO CB C 13 30.580 . . . . . . . . 146 PRO CB . 27681 1 296 . 1 1 147 147 GLY H H 1 8.424 . . . . . . . . 147 GLY H . 27681 1 297 . 1 1 147 147 GLY C C 13 174.646 . . . . . . . . 147 GLY C . 27681 1 298 . 1 1 147 147 GLY CA C 13 44.678 . . . . . . . . 147 GLY CA . 27681 1 299 . 1 1 147 147 GLY N N 15 109.763 . . . . . . . . 147 GLY N . 27681 1 300 . 1 1 148 148 VAL H H 1 7.072 . . . . . . . . 148 VAL H . 27681 1 301 . 1 1 148 148 VAL CA C 13 62.427 . . . . . . . . 148 VAL CA . 27681 1 302 . 1 1 148 148 VAL CB C 13 30.825 . . . . . . . . 148 VAL CB . 27681 1 303 . 1 1 148 148 VAL N N 15 120.922 . . . . . . . . 148 VAL N . 27681 1 304 . 1 1 149 149 ASP H H 1 8.830 . . . . . . . . 149 ASP H . 27681 1 305 . 1 1 149 149 ASP CA C 13 49.873 . . . . . . . . 149 ASP CA . 27681 1 306 . 1 1 149 149 ASP CB C 13 41.030 . . . . . . . . 149 ASP CB . 27681 1 307 . 1 1 149 149 ASP N N 15 130.817 . . . . . . . . 149 ASP N . 27681 1 308 . 1 1 150 150 PRO C C 13 178.959 . . . . . . . . 150 PRO C . 27681 1 309 . 1 1 151 151 THR H H 1 8.359 . . . . . . . . 151 THR H . 27681 1 310 . 1 1 151 151 THR C C 13 175.287 . . . . . . . . 151 THR C . 27681 1 311 . 1 1 151 151 THR CA C 13 64.129 . . . . . . . . 151 THR CA . 27681 1 312 . 1 1 151 151 THR CB C 13 68.652 . . . . . . . . 151 THR CB . 27681 1 313 . 1 1 151 151 THR N N 15 109.390 . . . . . . . . 151 THR N . 27681 1 314 . 1 1 152 152 GLN H H 1 8.066 . . . . . . . . 152 GLN H . 27681 1 315 . 1 1 152 152 GLN C C 13 175.312 . . . . . . . . 152 GLN C . 27681 1 316 . 1 1 152 152 GLN CA C 13 54.449 . . . . . . . . 152 GLN CA . 27681 1 317 . 1 1 152 152 GLN CB C 13 28.247 . . . . . . . . 152 GLN CB . 27681 1 318 . 1 1 152 152 GLN N N 15 118.634 . . . . . . . . 152 GLN N . 27681 1 319 . 1 1 153 153 VAL H H 1 6.810 . . . . . . . . 153 VAL H . 27681 1 320 . 1 1 153 153 VAL C C 13 175.540 . . . . . . . . 153 VAL C . 27681 1 321 . 1 1 153 153 VAL CA C 13 62.223 . . . . . . . . 153 VAL CA . 27681 1 322 . 1 1 153 153 VAL CB C 13 30.852 . . . . . . . . 153 VAL CB . 27681 1 323 . 1 1 153 153 VAL N N 15 120.830 . . . . . . . . 153 VAL N . 27681 1 324 . 1 1 154 154 SER H H 1 9.574 . . . . . . . . 154 SER H . 27681 1 325 . 1 1 154 154 SER C C 13 172.197 . . . . . . . . 154 SER C . 27681 1 326 . 1 1 154 154 SER CA C 13 56.849 . . . . . . . . 154 SER CA . 27681 1 327 . 1 1 154 154 SER CB C 13 65.689 . . . . . . . . 154 SER CB . 27681 1 328 . 1 1 154 154 SER N N 15 124.424 . . . . . . . . 154 SER N . 27681 1 329 . 1 1 155 155 SER H H 1 8.463 . . . . . . . . 155 SER H . 27681 1 330 . 1 1 155 155 SER CA C 13 56.53 . . . . . . . . 155 SER CA . 27681 1 331 . 1 1 155 155 SER CB C 13 65.069 . . . . . . . . 155 SER CB . 27681 1 332 . 1 1 155 155 SER N N 15 113.132 . . . . . . . . 155 SER N . 27681 1 333 . 1 1 159 159 PRO C C 13 175.028 . . . . . . . . 159 PRO C . 27681 1 334 . 1 1 159 159 PRO CA C 13 61.824 . . . . . . . . 159 PRO CA . 27681 1 335 . 1 1 160 160 GLU H H 1 7.598 . . . . . . . . 160 GLU H . 27681 1 336 . 1 1 160 160 GLU C C 13 179.855 . . . . . . . . 160 GLU C . 27681 1 337 . 1 1 160 160 GLU CA C 13 55.037 . . . . . . . . 160 GLU CA . 27681 1 338 . 1 1 160 160 GLU CB C 13 28.311 . . . . . . . . 160 GLU CB . 27681 1 339 . 1 1 160 160 GLU N N 15 112.436 . . . . . . . . 160 GLU N . 27681 1 340 . 1 1 161 161 GLY H H 1 7.685 . . . . . . . . 161 GLY H . 27681 1 341 . 1 1 161 161 GLY C C 13 179.952 . . . . . . . . 161 GLY C . 27681 1 342 . 1 1 161 161 GLY CA C 13 46.813 . . . . . . . . 161 GLY CA . 27681 1 343 . 1 1 161 161 GLY N N 15 106.68 . . . . . . . . 161 GLY N . 27681 1 344 . 1 1 162 162 THR H H 1 7.025 . . . . . . . . 162 THR H . 27681 1 345 . 1 1 162 162 THR C C 13 173.899 . . . . . . . . 162 THR C . 27681 1 346 . 1 1 162 162 THR CA C 13 60.517 . . . . . . . . 162 THR CA . 27681 1 347 . 1 1 162 162 THR N N 15 113.554 . . . . . . . . 162 THR N . 27681 1 348 . 1 1 163 163 LEU H H 1 9.459 . . . . . . . . 163 LEU H . 27681 1 349 . 1 1 163 163 LEU C C 13 174.631 . . . . . . . . 163 LEU C . 27681 1 350 . 1 1 163 163 LEU CA C 13 53.244 . . . . . . . . 163 LEU CA . 27681 1 351 . 1 1 163 163 LEU CB C 13 44.115 . . . . . . . . 163 LEU CB . 27681 1 352 . 1 1 163 163 LEU N N 15 135.077 . . . . . . . . 163 LEU N . 27681 1 353 . 1 1 164 164 THR H H 1 9.454 . . . . . . . . 164 THR H . 27681 1 354 . 1 1 164 164 THR C C 13 174.314 . . . . . . . . 164 THR C . 27681 1 355 . 1 1 164 164 THR CA C 13 61.217 . . . . . . . . 164 THR CA . 27681 1 356 . 1 1 164 164 THR CB C 13 70.002 . . . . . . . . 164 THR CB . 27681 1 357 . 1 1 164 164 THR N N 15 124.487 . . . . . . . . 164 THR N . 27681 1 358 . 1 1 165 165 VAL H H 1 8.818 . . . . . . . . 165 VAL H . 27681 1 359 . 1 1 165 165 VAL C C 13 173.023 . . . . . . . . 165 VAL C . 27681 1 360 . 1 1 165 165 VAL CA C 13 60.630 . . . . . . . . 165 VAL CA . 27681 1 361 . 1 1 165 165 VAL CB C 13 32.583 . . . . . . . . 165 VAL CB . 27681 1 362 . 1 1 165 165 VAL N N 15 128.574 . . . . . . . . 165 VAL N . 27681 1 363 . 1 1 166 166 GLU H H 1 9.023 . . . . . . . . 166 GLU H . 27681 1 364 . 1 1 166 166 GLU CA C 13 53.973 . . . . . . . . 166 GLU CA . 27681 1 365 . 1 1 166 166 GLU CB C 13 34.692 . . . . . . . . 166 GLU CB . 27681 1 366 . 1 1 166 166 GLU N N 15 121.858 . . . . . . . . 166 GLU N . 27681 1 367 . 1 1 167 167 ALA H H 1 9.373 . . . . . . . . 167 ALA H . 27681 1 368 . 1 1 167 167 ALA CA C 13 50.082 . . . . . . . . 167 ALA CA . 27681 1 369 . 1 1 167 167 ALA CB C 13 21.403 . . . . . . . . 167 ALA CB . 27681 1 370 . 1 1 167 167 ALA N N 15 120.529 . . . . . . . . 167 ALA N . 27681 1 371 . 1 1 168 168 PRO CA C 13 62.364 . . . . . . . . 168 PRO CA . 27681 1 372 . 1 1 168 168 PRO CB C 13 27.724 . . . . . . . . 168 PRO CB . 27681 1 373 . 1 1 169 169 MET H H 1 7.727 . . . . . . . . 169 MET H . 27681 1 374 . 1 1 169 169 MET C C 13 174.339 . . . . . . . . 169 MET C . 27681 1 375 . 1 1 169 169 MET CA C 13 51.955 . . . . . . . . 169 MET CA . 27681 1 376 . 1 1 169 169 MET CB C 13 31.28 . . . . . . . . 169 MET CB . 27681 1 377 . 1 1 169 169 MET N N 15 120.767 . . . . . . . . 169 MET N . 27681 1 378 . 1 1 170 170 PRO C C 13 176.423 . . . . . . . . 170 PRO C . 27681 1 379 . 1 1 170 170 PRO CA C 13 62.403 . . . . . . . . 170 PRO CA . 27681 1 380 . 1 1 171 171 LYS H H 1 8.293 . . . . . . . . 171 LYS H . 27681 1 381 . 1 1 171 171 LYS C C 13 176.573 . . . . . . . . 171 LYS C . 27681 1 382 . 1 1 171 171 LYS CA C 13 55.623 . . . . . . . . 171 LYS CA . 27681 1 383 . 1 1 171 171 LYS CB C 13 31.881 . . . . . . . . 171 LYS CB . 27681 1 384 . 1 1 171 171 LYS N N 15 122.322 . . . . . . . . 171 LYS N . 27681 1 385 . 1 1 172 172 LEU H H 1 8.206 . . . . . . . . 172 LEU H . 27681 1 386 . 1 1 172 172 LEU C C 13 177.242 . . . . . . . . 172 LEU C . 27681 1 387 . 1 1 172 172 LEU CA C 13 54.486 . . . . . . . . 172 LEU CA . 27681 1 388 . 1 1 172 172 LEU CB C 13 41.472 . . . . . . . . 172 LEU CB . 27681 1 389 . 1 1 172 172 LEU N N 15 124.636 . . . . . . . . 172 LEU N . 27681 1 390 . 1 1 173 173 ALA H H 1 8.290 . . . . . . . . 173 ALA H . 27681 1 391 . 1 1 173 173 ALA C C 13 177.829 . . . . . . . . 173 ALA C . 27681 1 392 . 1 1 173 173 ALA CA C 13 52.081 . . . . . . . . 173 ALA CA . 27681 1 393 . 1 1 173 173 ALA CB C 13 18.269 . . . . . . . . 173 ALA CB . 27681 1 394 . 1 1 173 173 ALA N N 15 125.539 . . . . . . . . 173 ALA N . 27681 1 395 . 1 1 174 174 THR H H 1 7.939 . . . . . . . . 174 THR H . 27681 1 396 . 1 1 174 174 THR C C 13 174.437 . . . . . . . . 174 THR C . 27681 1 397 . 1 1 174 174 THR CA C 13 61.312 . . . . . . . . 174 THR CA . 27681 1 398 . 1 1 174 174 THR CB C 13 69.328 . . . . . . . . 174 THR CB . 27681 1 399 . 1 1 174 174 THR N N 15 113.293 . . . . . . . . 174 THR N . 27681 1 400 . 1 1 175 175 GLN H H 1 8.242 . . . . . . . . 175 GLN H . 27681 1 401 . 1 1 175 175 GLN C C 13 175.031 . . . . . . . . 175 GLN C . 27681 1 402 . 1 1 175 175 GLN CA C 13 55.364 . . . . . . . . 175 GLN CA . 27681 1 403 . 1 1 175 175 GLN N N 15 123.342 . . . . . . . . 175 GLN N . 27681 1 404 . 1 1 176 176 SER H H 1 7.950 . . . . . . . . 176 SER H . 27681 1 405 . 1 1 176 176 SER C C 13 178.595 . . . . . . . . 176 SER C . 27681 1 406 . 1 1 176 176 SER CA C 13 59.713 . . . . . . . . 176 SER CA . 27681 1 407 . 1 1 176 176 SER CB C 13 64.163 . . . . . . . . 176 SER CB . 27681 1 408 . 1 1 176 176 SER N N 15 123.761 . . . . . . . . 176 SER N . 27681 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 27681 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 HNCO' . . . 27681 2 2 '3D HNCA' . . . 27681 2 3 '3D HNCACB' . . . 27681 2 4 '3D HNCACB' . . . 27681 2 5 '3D HN(CO)CA' . . . 27681 2 6 '3D HNCOCANNH' . . . 27681 2 7 '3D HN(CA)CO' . . . 27681 2 8 '3D HNCB' . . . 27681 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 . 1 1 49 49 SER H H 1 8.276 . . . . . . . . 49 SER H . 27681 2 2 . 1 1 49 49 SER CA C 13 58.540 . . . . . . . . 49 SER CA . 27681 2 3 . 1 1 49 49 SER CB C 13 64.805 . . . . . . . . 49 SER CB . 27681 2 4 . 1 1 49 49 SER N N 15 115.063 . . . . . . . . 49 SER N . 27681 2 5 . 1 1 64 64 GLU H H 1 8.210 . . . . . . . . 64 GLU H . 27681 2 6 . 1 1 64 64 GLU C C 13 175.257 . . . . . . . . 64 GLU C . 27681 2 7 . 1 1 64 64 GLU CA C 13 55.690 . . . . . . . . 64 GLU CA . 27681 2 8 . 1 1 64 64 GLU CB C 13 29.893 . . . . . . . . 64 GLU CB . 27681 2 9 . 1 1 64 64 GLU N N 15 125.401 . . . . . . . . 64 GLU N . 27681 2 10 . 1 1 65 65 SER H H 1 8.036 . . . . . . . . 65 SER H . 27681 2 11 . 1 1 65 65 SER CA C 13 55.275 . . . . . . . . 65 SER CA . 27681 2 12 . 1 1 65 65 SER CB C 13 63.499 . . . . . . . . 65 SER CB . 27681 2 13 . 1 1 65 65 SER N N 15 117.270 . . . . . . . . 65 SER N . 27681 2 14 . 1 1 66 66 PRO C C 13 175.621 . . . . . . . . 66 PRO C . 27681 2 15 . 1 1 67 67 ALA H H 1 8.349 . . . . . . . . 67 ALA H . 27681 2 16 . 1 1 67 67 ALA C C 13 177.585 . . . . . . . . 67 ALA C . 27681 2 17 . 1 1 67 67 ALA CA C 13 52.176 . . . . . . . . 67 ALA CA . 27681 2 18 . 1 1 67 67 ALA CB C 13 18.205 . . . . . . . . 67 ALA CB . 27681 2 19 . 1 1 67 67 ALA N N 15 125.291 . . . . . . . . 67 ALA N . 27681 2 20 . 1 1 68 68 VAL H H 1 8.040 . . . . . . . . 68 VAL H . 27681 2 21 . 1 1 68 68 VAL C C 13 175.707 . . . . . . . . 68 VAL C . 27681 2 22 . 1 1 68 68 VAL CA C 13 61.321 . . . . . . . . 68 VAL CA . 27681 2 23 . 1 1 68 68 VAL CB C 13 32.129 . . . . . . . . 68 VAL CB . 27681 2 24 . 1 1 68 68 VAL N N 15 119.639 . . . . . . . . 68 VAL N . 27681 2 25 . 1 1 69 69 ALA H H 1 8.207 . . . . . . . . 69 ALA H . 27681 2 26 . 1 1 69 69 ALA C C 13 176.781 . . . . . . . . 69 ALA C . 27681 2 27 . 1 1 69 69 ALA CA C 13 51.630 . . . . . . . . 69 ALA CA . 27681 2 28 . 1 1 69 69 ALA CB C 13 18.415 . . . . . . . . 69 ALA CB . 27681 2 29 . 1 1 69 69 ALA N N 15 127.597 . . . . . . . . 69 ALA N . 27681 2 30 . 1 1 110 110 THR H H 1 8.566 . . . . . . . . 110 THR H . 27681 2 31 . 1 1 110 110 THR CA C 13 61.220 . . . . . . . . 110 THR CA . 27681 2 32 . 1 1 110 110 THR CB C 13 70.473 . . . . . . . . 110 THR CB . 27681 2 33 . 1 1 110 110 THR N N 15 113.183 . . . . . . . . 110 THR N . 27681 2 34 . 1 1 123 123 LYS H H 1 7.534 . . . . . . . . 123 LYS H . 27681 2 35 . 1 1 123 123 LYS CA C 13 58.680 . . . . . . . . 123 LYS CA . 27681 2 36 . 1 1 123 123 LYS CB C 13 28.155 . . . . . . . . 123 LYS CB . 27681 2 37 . 1 1 123 123 LYS N N 15 120.599 . . . . . . . . 123 LYS N . 27681 2 38 . 1 1 148 148 VAL H H 1 6.992 . . . . . . . . 148 VAL H . 27681 2 39 . 1 1 148 148 VAL CA C 13 62.400 . . . . . . . . 148 VAL CA . 27681 2 40 . 1 1 148 148 VAL CB C 13 30.975 . . . . . . . . 148 VAL CB . 27681 2 41 . 1 1 148 148 VAL N N 15 120.727 . . . . . . . . 148 VAL N . 27681 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 27681 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name . _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 HNCO' . . . 27681 3 2 '3D HNCA' . . . 27681 3 3 '3D HNCACB' . . . 27681 3 4 '3D HNCACB' . . . 27681 3 5 '3D HN(CO)CA' . . . 27681 3 6 '3D HNCOCANNH' . . . 27681 3 7 '3D HN(CA)CO' . . . 27681 3 8 '3D HNCB' . . . 27681 3 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 49 49 SER H H 1 8.276 . . . . . . . . 49 SER H . 27681 3 2 . 1 1 49 49 SER CA C 13 58.540 . . . . . . . . 49 SER CA . 27681 3 3 . 1 1 49 49 SER CB C 13 64.805 . . . . . . . . 49 SER CB . 27681 3 4 . 1 1 49 49 SER N N 15 115.063 . . . . . . . . 49 SER N . 27681 3 5 . 1 1 64 64 GLU H H 1 8.210 . . . . . . . . 64 GLU H . 27681 3 6 . 1 1 64 64 GLU C C 13 175.257 . . . . . . . . 64 GLU C . 27681 3 7 . 1 1 64 64 GLU CA C 13 55.690 . . . . . . . . 64 GLU CA . 27681 3 8 . 1 1 64 64 GLU CB C 13 29.893 . . . . . . . . 64 GLU CB . 27681 3 9 . 1 1 64 64 GLU N N 15 125.401 . . . . . . . . 64 GLU N . 27681 3 10 . 1 1 65 65 SER H H 1 8.036 . . . . . . . . 65 SER H . 27681 3 11 . 1 1 65 65 SER CA C 13 55.275 . . . . . . . . 65 SER CA . 27681 3 12 . 1 1 65 65 SER CB C 13 63.499 . . . . . . . . 65 SER CB . 27681 3 13 . 1 1 65 65 SER N N 15 117.270 . . . . . . . . 65 SER N . 27681 3 14 . 1 1 66 66 PRO C C 13 175.621 . . . . . . . . 66 PRO C . 27681 3 15 . 1 1 67 67 ALA H H 1 8.349 . . . . . . . . 67 ALA H . 27681 3 16 . 1 1 67 67 ALA C C 13 177.585 . . . . . . . . 67 ALA C . 27681 3 17 . 1 1 67 67 ALA CA C 13 52.176 . . . . . . . . 67 ALA CA . 27681 3 18 . 1 1 67 67 ALA CB C 13 18.205 . . . . . . . . 67 ALA CB . 27681 3 19 . 1 1 67 67 ALA N N 15 125.291 . . . . . . . . 67 ALA N . 27681 3 20 . 1 1 68 68 VAL H H 1 8.040 . . . . . . . . 68 VAL H . 27681 3 21 . 1 1 68 68 VAL C C 13 175.707 . . . . . . . . 68 VAL C . 27681 3 22 . 1 1 68 68 VAL CA C 13 61.321 . . . . . . . . 68 VAL CA . 27681 3 23 . 1 1 68 68 VAL CB C 13 32.129 . . . . . . . . 68 VAL CB . 27681 3 24 . 1 1 68 68 VAL N N 15 119.639 . . . . . . . . 68 VAL N . 27681 3 25 . 1 1 69 69 ALA H H 1 8.207 . . . . . . . . 69 ALA H . 27681 3 26 . 1 1 69 69 ALA C C 13 176.781 . . . . . . . . 69 ALA C . 27681 3 27 . 1 1 69 69 ALA CA C 13 51.630 . . . . . . . . 69 ALA CA . 27681 3 28 . 1 1 69 69 ALA CB C 13 18.415 . . . . . . . . 69 ALA CB . 27681 3 29 . 1 1 69 69 ALA N N 15 127.597 . . . . . . . . 69 ALA N . 27681 3 30 . 1 1 110 110 THR H H 1 8.833 . . . . . . . . 110 THR H . 27681 3 31 . 1 1 110 110 THR CA C 13 61.791 . . . . . . . . 110 THR CA . 27681 3 32 . 1 1 110 110 THR CB C 13 71.132 . . . . . . . . 110 THR CB . 27681 3 33 . 1 1 110 110 THR N N 15 112.832 . . . . . . . . 110 THR N . 27681 3 34 . 1 1 114 114 LYS H H 1 8.556 . . . . . . . . 114 LYS H . 27681 3 35 . 1 1 114 114 LYS CA C 13 55.509 . . . . . . . . 114 LYS CA . 27681 3 36 . 1 1 114 114 LYS CB C 13 33.665 . . . . . . . . 114 LYS CB . 27681 3 37 . 1 1 114 114 LYS N N 15 123.595 . . . . . . . . 114 LYS N . 27681 3 38 . 1 1 123 123 LYS H H 1 7.093 . . . . . . . . 123 LYS H . 27681 3 39 . 1 1 123 123 LYS CA C 13 57.763 . . . . . . . . 123 LYS CA . 27681 3 40 . 1 1 123 123 LYS CB C 13 30.464 . . . . . . . . 123 LYS CB . 27681 3 41 . 1 1 123 123 LYS N N 15 122.642 . . . . . . . . 123 LYS N . 27681 3 42 . 1 1 148 148 VAL H H 1 6.992 . . . . . . . . 148 VAL H . 27681 3 43 . 1 1 148 148 VAL CA C 13 62.400 . . . . . . . . 148 VAL CA . 27681 3 44 . 1 1 148 148 VAL CB C 13 30.975 . . . . . . . . 148 VAL CB . 27681 3 45 . 1 1 148 148 VAL N N 15 120.727 . . . . . . . . 148 VAL N . 27681 3 stop_ save_