data_4526 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4526 _Entry.Title ; SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 20 STRUCTURES ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-11-05 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2001-03-08 _Entry.Original_release_date 2001-03-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 C. Yuan . . . 4526 2 T. Selby . L. . 4526 3 J. Li . . . 4526 4 I. Byeon . J.L. . 4526 5 M. Tsai . D. . 4526 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4526 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 242 4526 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 . . 2001-03-08 1999-11-05 original author . 4526 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4526 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20348894 _Citation.DOI . _Citation.PubMed_ID 10892805 _Citation.Full_citation . _Citation.Title ; Tumor suppressor INK4: refinement of p16INK4A structure and determination of p15INK4B structure by comparative modeling and NMR data ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue . _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 1120 _Citation.Page_last 1128 _Citation.Year 2000 _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.Entry_ID _Citation_author.Citation_ID 1 C. Yuan . . . 4526 1 2 T. Selby . L. . 4526 1 3 J. Li . . . 4526 1 4 I. Byeon . J.L. . 4526 1 5 M. Tsai . D. . 4526 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ANKYRIN REPEAT' 4526 1 HELIX-TURN-HELIX 4526 1 'HELIX BUNDLE' 4526 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_P16INK4A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_P16INK4A _Assembly.Entry_ID 4526 _Assembly.ID 1 _Assembly.Name 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4526 1 stop_ 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 P16INK4A 1 $P16INK4A . . . native . . . . . 4526 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 . PDB 1DC2 . . . . . . 4526 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' system 4526 1 P16INK4A abbreviation 4526 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P16INK4A _Entity.Sf_category entity _Entity.Sf_framecode P16INK4A _Entity.Entry_ID 4526 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' _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 ; MEPAAGSSMEPSADWLATAA ARGRVEEVRALLEAGALPNA PNSYGRRPIQVMMMGSARVA ELLLLHGAEPNCADPATLTR PVHDAAREGFLDTLVVLHRA GARLDVRDAWGRLPVDLAEE LGHRDVARYLRAAAGGTRGS NHARIDAAEGPSDIPD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no BMRB 4086 . p16(INK4)/delta_1-8 . . . . . 94.87 148 100.00 100.00 1.48e-97 . . . . 4526 1 2 no PDB 1A5E . "Solution Nmr Structure Of Tumor Suppressor P16ink4a, 18 Structures" . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 3 no PDB 1BI7 . "Mechanism Of G1 Cyclin Dependent Kinase Inhibition From The Structure Of The Cdk6-P16ink4a Tumor Suppressor Complex" . . . . . 100.00 156 99.36 99.36 4.06e-102 . . . . 4526 1 4 no PDB 1DC2 . "Solution Nmr Structure Of Tumor Suppressor P16ink4a, 20 Structures" . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 5 no PDB 2A5E . "Solution Nmr Structure Of Tumor Suppressor P16ink4a, Restrained Minimized Mean Structure" . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 6 no DBJ BAA33541 . "p15/MTS2/CDKN2B [Felis catus]" . . . . . 54.49 86 97.65 98.82 2.17e-48 . . . . 4526 1 7 no DBJ BAB91133 . "p16/CDKN2A [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 8 no EMBL CCQ43815 . "alternative protein CDKN2A [Homo sapiens]" . . . . . 69.23 108 98.15 100.00 7.24e-67 . . . . 4526 1 9 no GB AAA92554 . "p16-INK4 [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 10 no GB AAB32713 . "cyclin D-dependent kinases 4 and 6-binding protein/p16 product [human, brain tumors, Peptide, 156 aa]" . . . . . 100.00 156 98.72 98.72 5.47e-101 . . . . 4526 1 11 no GB AAB60645 . "p16-INK4 [Homo sapiens]" . . . . . 94.87 148 100.00 100.00 1.48e-97 . . . . 4526 1 12 no GB AAD14048 . "multiple tumor suppressor 1/cyclin-dependent kinase 4 inhibitor p16 [Homo sapiens]" . . . . . 65.38 102 100.00 100.00 6.03e-63 . . . . 4526 1 13 no GB AAD14050 . "cyclin-dependent kinase 4 inhibitor [Homo sapiens]" . . . . . 67.95 106 100.00 100.00 3.68e-66 . . . . 4526 1 14 no PRF 2002364A . "p16ink4 protein" . . . . . 94.87 148 99.32 99.32 2.44e-96 . . . . 4526 1 15 no REF NP_000068 . "cyclin-dependent kinase inhibitor 2A isoform p16INK4a [Homo sapiens]" . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 16 no REF NP_001139762 . "cyclin-dependent kinase inhibitor 2A [Pan troglodytes]" . . . . . 100.00 156 99.36 99.36 4.48e-102 . . . . 4526 1 17 no REF NP_001182061 . "cyclin-dependent kinase inhibitor 2A isoform p16gamma [Homo sapiens]" . . . . . 98.72 167 98.70 100.00 5.24e-100 . . . . 4526 1 18 no REF XP_003830733 . "PREDICTED: cyclin-dependent kinase inhibitor 2A isoform X2 [Pan paniscus]" . . . . . 100.00 156 99.36 99.36 4.48e-102 . . . . 4526 1 19 no REF XP_005251400 . "PREDICTED: cyclin-dependent kinase inhibitor 2A isoform X5 [Homo sapiens]" . . . . . 67.31 105 100.00 100.00 1.71e-65 . . . . 4526 1 20 no SP P42771 . "RecName: Full=Cyclin-dependent kinase inhibitor 2A; AltName: Full=Cyclin-dependent kinase 4 inhibitor A; Short=CDK4I; AltName: " . . . . . 100.00 156 100.00 100.00 2.89e-103 . . . . 4526 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' common 4526 1 P16INK4A abbreviation 4526 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 . MET . 4526 1 2 . GLU . 4526 1 3 . PRO . 4526 1 4 . ALA . 4526 1 5 . ALA . 4526 1 6 . GLY . 4526 1 7 . SER . 4526 1 8 . SER . 4526 1 9 . MET . 4526 1 10 . GLU . 4526 1 11 . PRO . 4526 1 12 . SER . 4526 1 13 . ALA . 4526 1 14 . ASP . 4526 1 15 . TRP . 4526 1 16 . LEU . 4526 1 17 . ALA . 4526 1 18 . THR . 4526 1 19 . ALA . 4526 1 20 . ALA . 4526 1 21 . ALA . 4526 1 22 . ARG . 4526 1 23 . GLY . 4526 1 24 . ARG . 4526 1 25 . VAL . 4526 1 26 . GLU . 4526 1 27 . GLU . 4526 1 28 . VAL . 4526 1 29 . ARG . 4526 1 30 . ALA . 4526 1 31 . LEU . 4526 1 32 . LEU . 4526 1 33 . GLU . 4526 1 34 . ALA . 4526 1 35 . GLY . 4526 1 36 . ALA . 4526 1 37 . LEU . 4526 1 38 . PRO . 4526 1 39 . ASN . 4526 1 40 . ALA . 4526 1 41 . PRO . 4526 1 42 . ASN . 4526 1 43 . SER . 4526 1 44 . TYR . 4526 1 45 . GLY . 4526 1 46 . ARG . 4526 1 47 . ARG . 4526 1 48 . PRO . 4526 1 49 . ILE . 4526 1 50 . GLN . 4526 1 51 . VAL . 4526 1 52 . MET . 4526 1 53 . MET . 4526 1 54 . MET . 4526 1 55 . GLY . 4526 1 56 . SER . 4526 1 57 . ALA . 4526 1 58 . ARG . 4526 1 59 . VAL . 4526 1 60 . ALA . 4526 1 61 . GLU . 4526 1 62 . LEU . 4526 1 63 . LEU . 4526 1 64 . LEU . 4526 1 65 . LEU . 4526 1 66 . HIS . 4526 1 67 . GLY . 4526 1 68 . ALA . 4526 1 69 . GLU . 4526 1 70 . PRO . 4526 1 71 . ASN . 4526 1 72 . CYS . 4526 1 73 . ALA . 4526 1 74 . ASP . 4526 1 75 . PRO . 4526 1 76 . ALA . 4526 1 77 . THR . 4526 1 78 . LEU . 4526 1 79 . THR . 4526 1 80 . ARG . 4526 1 81 . PRO . 4526 1 82 . VAL . 4526 1 83 . HIS . 4526 1 84 . ASP . 4526 1 85 . ALA . 4526 1 86 . ALA . 4526 1 87 . ARG . 4526 1 88 . GLU . 4526 1 89 . GLY . 4526 1 90 . PHE . 4526 1 91 . LEU . 4526 1 92 . ASP . 4526 1 93 . THR . 4526 1 94 . LEU . 4526 1 95 . VAL . 4526 1 96 . VAL . 4526 1 97 . LEU . 4526 1 98 . HIS . 4526 1 99 . ARG . 4526 1 100 . ALA . 4526 1 101 . GLY . 4526 1 102 . ALA . 4526 1 103 . ARG . 4526 1 104 . LEU . 4526 1 105 . ASP . 4526 1 106 . VAL . 4526 1 107 . ARG . 4526 1 108 . ASP . 4526 1 109 . ALA . 4526 1 110 . TRP . 4526 1 111 . GLY . 4526 1 112 . ARG . 4526 1 113 . LEU . 4526 1 114 . PRO . 4526 1 115 . VAL . 4526 1 116 . ASP . 4526 1 117 . LEU . 4526 1 118 . ALA . 4526 1 119 . GLU . 4526 1 120 . GLU . 4526 1 121 . LEU . 4526 1 122 . GLY . 4526 1 123 . HIS . 4526 1 124 . ARG . 4526 1 125 . ASP . 4526 1 126 . VAL . 4526 1 127 . ALA . 4526 1 128 . ARG . 4526 1 129 . TYR . 4526 1 130 . LEU . 4526 1 131 . ARG . 4526 1 132 . ALA . 4526 1 133 . ALA . 4526 1 134 . ALA . 4526 1 135 . GLY . 4526 1 136 . GLY . 4526 1 137 . THR . 4526 1 138 . ARG . 4526 1 139 . GLY . 4526 1 140 . SER . 4526 1 141 . ASN . 4526 1 142 . HIS . 4526 1 143 . ALA . 4526 1 144 . ARG . 4526 1 145 . ILE . 4526 1 146 . ASP . 4526 1 147 . ALA . 4526 1 148 . ALA . 4526 1 149 . GLU . 4526 1 150 . GLY . 4526 1 151 . PRO . 4526 1 152 . SER . 4526 1 153 . ASP . 4526 1 154 . ILE . 4526 1 155 . PRO . 4526 1 156 . ASP . 4526 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 4526 1 . GLU 2 2 4526 1 . PRO 3 3 4526 1 . ALA 4 4 4526 1 . ALA 5 5 4526 1 . GLY 6 6 4526 1 . SER 7 7 4526 1 . SER 8 8 4526 1 . MET 9 9 4526 1 . GLU 10 10 4526 1 . PRO 11 11 4526 1 . SER 12 12 4526 1 . ALA 13 13 4526 1 . ASP 14 14 4526 1 . TRP 15 15 4526 1 . LEU 16 16 4526 1 . ALA 17 17 4526 1 . THR 18 18 4526 1 . ALA 19 19 4526 1 . ALA 20 20 4526 1 . ALA 21 21 4526 1 . ARG 22 22 4526 1 . GLY 23 23 4526 1 . ARG 24 24 4526 1 . VAL 25 25 4526 1 . GLU 26 26 4526 1 . GLU 27 27 4526 1 . VAL 28 28 4526 1 . ARG 29 29 4526 1 . ALA 30 30 4526 1 . LEU 31 31 4526 1 . LEU 32 32 4526 1 . GLU 33 33 4526 1 . ALA 34 34 4526 1 . GLY 35 35 4526 1 . ALA 36 36 4526 1 . LEU 37 37 4526 1 . PRO 38 38 4526 1 . ASN 39 39 4526 1 . ALA 40 40 4526 1 . PRO 41 41 4526 1 . ASN 42 42 4526 1 . SER 43 43 4526 1 . TYR 44 44 4526 1 . GLY 45 45 4526 1 . ARG 46 46 4526 1 . ARG 47 47 4526 1 . PRO 48 48 4526 1 . ILE 49 49 4526 1 . GLN 50 50 4526 1 . VAL 51 51 4526 1 . MET 52 52 4526 1 . MET 53 53 4526 1 . MET 54 54 4526 1 . GLY 55 55 4526 1 . SER 56 56 4526 1 . ALA 57 57 4526 1 . ARG 58 58 4526 1 . VAL 59 59 4526 1 . ALA 60 60 4526 1 . GLU 61 61 4526 1 . LEU 62 62 4526 1 . LEU 63 63 4526 1 . LEU 64 64 4526 1 . LEU 65 65 4526 1 . HIS 66 66 4526 1 . GLY 67 67 4526 1 . ALA 68 68 4526 1 . GLU 69 69 4526 1 . PRO 70 70 4526 1 . ASN 71 71 4526 1 . CYS 72 72 4526 1 . ALA 73 73 4526 1 . ASP 74 74 4526 1 . PRO 75 75 4526 1 . ALA 76 76 4526 1 . THR 77 77 4526 1 . LEU 78 78 4526 1 . THR 79 79 4526 1 . ARG 80 80 4526 1 . PRO 81 81 4526 1 . VAL 82 82 4526 1 . HIS 83 83 4526 1 . ASP 84 84 4526 1 . ALA 85 85 4526 1 . ALA 86 86 4526 1 . ARG 87 87 4526 1 . GLU 88 88 4526 1 . GLY 89 89 4526 1 . PHE 90 90 4526 1 . LEU 91 91 4526 1 . ASP 92 92 4526 1 . THR 93 93 4526 1 . LEU 94 94 4526 1 . VAL 95 95 4526 1 . VAL 96 96 4526 1 . LEU 97 97 4526 1 . HIS 98 98 4526 1 . ARG 99 99 4526 1 . ALA 100 100 4526 1 . GLY 101 101 4526 1 . ALA 102 102 4526 1 . ARG 103 103 4526 1 . LEU 104 104 4526 1 . ASP 105 105 4526 1 . VAL 106 106 4526 1 . ARG 107 107 4526 1 . ASP 108 108 4526 1 . ALA 109 109 4526 1 . TRP 110 110 4526 1 . GLY 111 111 4526 1 . ARG 112 112 4526 1 . LEU 113 113 4526 1 . PRO 114 114 4526 1 . VAL 115 115 4526 1 . ASP 116 116 4526 1 . LEU 117 117 4526 1 . ALA 118 118 4526 1 . GLU 119 119 4526 1 . GLU 120 120 4526 1 . LEU 121 121 4526 1 . GLY 122 122 4526 1 . HIS 123 123 4526 1 . ARG 124 124 4526 1 . ASP 125 125 4526 1 . VAL 126 126 4526 1 . ALA 127 127 4526 1 . ARG 128 128 4526 1 . TYR 129 129 4526 1 . LEU 130 130 4526 1 . ARG 131 131 4526 1 . ALA 132 132 4526 1 . ALA 133 133 4526 1 . ALA 134 134 4526 1 . GLY 135 135 4526 1 . GLY 136 136 4526 1 . THR 137 137 4526 1 . ARG 138 138 4526 1 . GLY 139 139 4526 1 . SER 140 140 4526 1 . ASN 141 141 4526 1 . HIS 142 142 4526 1 . ALA 143 143 4526 1 . ARG 144 144 4526 1 . ILE 145 145 4526 1 . ASP 146 146 4526 1 . ALA 147 147 4526 1 . ALA 148 148 4526 1 . GLU 149 149 4526 1 . GLY 150 150 4526 1 . PRO 151 151 4526 1 . SER 152 152 4526 1 . ASP 153 153 4526 1 . ILE 154 154 4526 1 . PRO 155 155 4526 1 . ASP 156 156 4526 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 4526 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $P16INK4A . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4526 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 4526 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $P16INK4A . 'recombinant technology' 'Escherichia coli' Bacteria . . Escherichia coli . . . . . . . . . . . . . . . . PTG . . . . . . 4526 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4526 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' '[U-15N; U-13C]' . . 1 $P16INK4A . . . 0.2 0.4 mM . . . . 4526 1 2 HEPES . . . . . . . 4 . . mM . . . . 4526 1 3 DTT . . . . . . . 1 . . mM . . . . 4526 1 4 EDTA . . . . . . . 5 . . uM . . . . 4526 1 5 H2O . . . . . . . 95 . . % . . . . 4526 1 6 D2O . . . . . . . 5 . . % . . . . 4526 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4526 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' [U-15N] . . 1 $P16INK4A . . . 0.2 0.4 mM . . . . 4526 2 2 HEPES . . . . . . . 4 . . mM . . . . 4526 2 3 DTT . . . . . . . 1 . . mM . . . . 4526 2 4 EDTA . . . . . . . 5 . . uM . . . . 4526 2 5 H2O . . . . . . . 95 . . % . . . . 4526 2 6 D2O . . . . . . . 5 . . % . . . . 4526 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4526 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CYCLIN-DEPENDENT KINASE 4 INHIBITOR A (P16INK4A)' . . . 1 $P16INK4A . . . 0.2 0.4 mM . . . . 4526 3 2 HEPES . . . . . . . 4 . . mM . . . . 4526 3 3 DTT . . . . . . . 1 . . mM . . . . 4526 3 4 EDTA . . . . . . . 5 . . uM . . . . 4526 3 5 H2O . . . . . . . 95 . . % . . . . 4526 3 6 D2O . . . . . . . 5 . . % . . . . 4526 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4526 _Sample_condition_list.ID 1 _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 pH 7.5 . n/a 4526 1 temperature 293 . K 4526 1 'ionic strength' 0 . mM 4526 1 pressure 1 . atm 4526 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4526 _Software.ID 1 _Software.Name X-PLOR _Software.Version 3.85 _Software.Details BRUNGER loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'STRUCTURE SOLUTION' 4526 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 4526 _Software.ID 2 _Software.Name XWINNMR _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'COLLECTION, PROCESSING' 4526 2 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4526 _Software.ID 3 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID PROCESSING 4526 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4526 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4526 _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 NMR_spectrometer Bruker DMX . 600 . . . 4526 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 4526 _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_13C-SEPARATED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4526 1 2 '4D_13C-SEPARATED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4526 1 3 '4D_13C/15N-SEPARATED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4526 1 4 '3D_15N-SEPARATED NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4526 1 5 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4526 1 6 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4526 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4526 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D_13C-SEPARATED NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4526 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '4D_13C-SEPARATED NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4526 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '4D_13C/15N-SEPARATED NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4526 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D_15N-SEPARATED NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4526 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4526 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 4526 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 4526 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4526 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_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 $sample_1 . 4526 1 . . 2 $sample_2 . 4526 1 . . 3 $sample_3 . 4526 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.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 SER CA C 13 59.0 . . . . . . . . . . . 4526 1 2 . 1 1 12 12 SER CB C 13 64.5 . . . . . . . . . . . 4526 1 3 . 1 1 13 13 ALA CA C 13 54.4 . . . . . . . . . . . 4526 1 4 . 1 1 13 13 ALA CB C 13 18.2 . . . . . . . . . . . 4526 1 5 . 1 1 14 14 ASP CA C 13 56.4 . . . . . . . . . . . 4526 1 6 . 1 1 15 15 TRP CA C 13 58.5 . . . . . . . . . . . 4526 1 7 . 1 1 15 15 TRP CB C 13 29.2 . . . . . . . . . . . 4526 1 8 . 1 1 16 16 LEU CA C 13 58.5 . . . . . . . . . . . 4526 1 9 . 1 1 16 16 LEU CB C 13 40.4 . . . . . . . . . . . 4526 1 10 . 1 1 17 17 ALA CA C 13 55.9 . . . . . . . . . . . 4526 1 11 . 1 1 17 17 ALA CB C 13 18.2 . . . . . . . . . . . 4526 1 12 . 1 1 18 18 THR CA C 13 66.9 . . . . . . . . . . . 4526 1 13 . 1 1 18 18 THR CB C 13 68.6 . . . . . . . . . . . 4526 1 14 . 1 1 19 19 ALA CA C 13 55.6 . . . . . . . . . . . 4526 1 15 . 1 1 19 19 ALA CB C 13 18.2 . . . . . . . . . . . 4526 1 16 . 1 1 20 20 ALA CA C 13 55.2 . . . . . . . . . . . 4526 1 17 . 1 1 20 20 ALA CB C 13 17.5 . . . . . . . . . . . 4526 1 18 . 1 1 21 21 ALA CA C 13 55.2 . . . . . . . . . . . 4526 1 19 . 1 1 21 21 ALA CB C 13 18.8 . . . . . . . . . . . 4526 1 20 . 1 1 22 22 ARG CA C 13 55.4 . . . . . . . . . . . 4526 1 21 . 1 1 22 22 ARG CB C 13 31.2 . . . . . . . . . . . 4526 1 22 . 1 1 23 23 GLY CA C 13 47.0 . . . . . . . . . . . 4526 1 23 . 1 1 24 24 ARG CA C 13 54.5 . . . . . . . . . . . 4526 1 24 . 1 1 24 24 ARG CB C 13 32.3 . . . . . . . . . . . 4526 1 25 . 1 1 25 25 VAL CA C 13 67.3 . . . . . . . . . . . 4526 1 26 . 1 1 25 25 VAL CB C 13 32.4 . . . . . . . . . . . 4526 1 27 . 1 1 26 26 GLU CA C 13 58.9 . . . . . . . . . . . 4526 1 28 . 1 1 27 27 GLU CA C 13 58.9 . . . . . . . . . . . 4526 1 29 . 1 1 27 27 GLU CB C 13 30.3 . . . . . . . . . . . 4526 1 30 . 1 1 28 28 VAL CA C 13 67.2 . . . . . . . . . . . 4526 1 31 . 1 1 28 28 VAL CB C 13 31.4 . . . . . . . . . . . 4526 1 32 . 1 1 29 29 ARG CA C 13 60.4 . . . . . . . . . . . 4526 1 33 . 1 1 29 29 ARG CB C 13 29.9 . . . . . . . . . . . 4526 1 34 . 1 1 30 30 ALA CA C 13 54.8 . . . . . . . . . . . 4526 1 35 . 1 1 30 30 ALA CB C 13 18.2 . . . . . . . . . . . 4526 1 36 . 1 1 31 31 LEU CA C 13 57.6 . . . . . . . . . . . 4526 1 37 . 1 1 31 31 LEU CB C 13 42.2 . . . . . . . . . . . 4526 1 38 . 1 1 32 32 LEU CA C 13 57.8 . . . . . . . . . . . 4526 1 39 . 1 1 32 32 LEU CB C 13 40.1 . . . . . . . . . . . 4526 1 40 . 1 1 33 33 GLU CA C 13 59.0 . . . . . . . . . . . 4526 1 41 . 1 1 33 33 GLU CB C 13 28.9 . . . . . . . . . . . 4526 1 42 . 1 1 34 34 ALA CA C 13 51.9 . . . . . . . . . . . 4526 1 43 . 1 1 34 34 ALA CB C 13 18.9 . . . . . . . . . . . 4526 1 44 . 1 1 35 35 GLY CA C 13 45.0 . . . . . . . . . . . 4526 1 45 . 1 1 36 36 ALA CA C 13 52.7 . . . . . . . . . . . 4526 1 46 . 1 1 36 36 ALA CB C 13 19.3 . . . . . . . . . . . 4526 1 47 . 1 1 37 37 LEU CA C 13 52.6 . . . . . . . . . . . 4526 1 48 . 1 1 37 37 LEU CB C 13 41.2 . . . . . . . . . . . 4526 1 49 . 1 1 38 38 PRO CA C 13 64.4 . . . . . . . . . . . 4526 1 50 . 1 1 39 39 ASN CA C 13 52.9 . . . . . . . . . . . 4526 1 51 . 1 1 39 39 ASN CB C 13 39.4 . . . . . . . . . . . 4526 1 52 . 1 1 40 40 ALA CA C 13 50.3 . . . . . . . . . . . 4526 1 53 . 1 1 40 40 ALA CB C 13 18.6 . . . . . . . . . . . 4526 1 54 . 1 1 41 41 PRO CA C 13 63.6 . . . . . . . . . . . 4526 1 55 . 1 1 43 43 SER CA C 13 61.8 . . . . . . . . . . . 4526 1 56 . 1 1 44 44 TYR CA C 13 57.1 . . . . . . . . . . . 4526 1 57 . 1 1 44 44 TYR CB C 13 38.3 . . . . . . . . . . . 4526 1 58 . 1 1 45 45 GLY CA C 13 45.9 . . . . . . . . . . . 4526 1 59 . 1 1 46 46 ARG CA C 13 54.5 . . . . . . . . . . . 4526 1 60 . 1 1 46 46 ARG CB C 13 32.3 . . . . . . . . . . . 4526 1 61 . 1 1 48 48 PRO CA C 13 66.6 . . . . . . . . . . . 4526 1 62 . 1 1 49 49 ILE CA C 13 60.9 . . . . . . . . . . . 4526 1 63 . 1 1 49 49 ILE CB C 13 39.4 . . . . . . . . . . . 4526 1 64 . 1 1 50 50 GLN CA C 13 57.1 . . . . . . . . . . . 4526 1 65 . 1 1 51 51 VAL CA C 13 60.1 . . . . . . . . . . . 4526 1 66 . 1 1 51 51 VAL CB C 13 32.4 . . . . . . . . . . . 4526 1 67 . 1 1 52 52 MET CA C 13 55.0 . . . . . . . . . . . 4526 1 68 . 1 1 52 52 MET CB C 13 32.7 . . . . . . . . . . . 4526 1 69 . 1 1 53 53 MET CA C 13 56.1 . . . . . . . . . . . 4526 1 70 . 1 1 53 53 MET CB C 13 32.4 . . . . . . . . . . . 4526 1 71 . 1 1 54 54 MET CA C 13 56.6 . . . . . . . . . . . 4526 1 72 . 1 1 54 54 MET CB C 13 31.8 . . . . . . . . . . . 4526 1 73 . 1 1 55 55 GLY CA C 13 43.7 . . . . . . . . . . . 4526 1 74 . 1 1 56 56 SER CA C 13 55.0 . . . . . . . . . . . 4526 1 75 . 1 1 56 56 SER CB C 13 61.8 . . . . . . . . . . . 4526 1 76 . 1 1 57 57 ALA CA C 13 55.4 . . . . . . . . . . . 4526 1 77 . 1 1 57 57 ALA CB C 13 17.8 . . . . . . . . . . . 4526 1 78 . 1 1 58 58 ARG CA C 13 58.1 . . . . . . . . . . . 4526 1 79 . 1 1 58 58 ARG CB C 13 30.4 . . . . . . . . . . . 4526 1 80 . 1 1 59 59 VAL CA C 13 67.6 . . . . . . . . . . . 4526 1 81 . 1 1 59 59 VAL CB C 13 31.0 . . . . . . . . . . . 4526 1 82 . 1 1 60 60 ALA CA C 13 55.8 . . . . . . . . . . . 4526 1 83 . 1 1 60 60 ALA CB C 13 17.9 . . . . . . . . . . . 4526 1 84 . 1 1 61 61 GLU CA C 13 59.6 . . . . . . . . . . . 4526 1 85 . 1 1 61 61 GLU CB C 13 30.8 . . . . . . . . . . . 4526 1 86 . 1 1 62 62 LEU CA C 13 58.2 . . . . . . . . . . . 4526 1 87 . 1 1 62 62 LEU CB C 13 43.2 . . . . . . . . . . . 4526 1 88 . 1 1 63 63 LEU CA C 13 58.4 . . . . . . . . . . . 4526 1 89 . 1 1 63 63 LEU CB C 13 40.9 . . . . . . . . . . . 4526 1 90 . 1 1 64 64 LEU CA C 13 58.0 . . . . . . . . . . . 4526 1 91 . 1 1 64 64 LEU CB C 13 40.9 . . . . . . . . . . . 4526 1 92 . 1 1 65 65 LEU CA C 13 57.7 . . . . . . . . . . . 4526 1 93 . 1 1 65 65 LEU CB C 13 42.2 . . . . . . . . . . . 4526 1 94 . 1 1 66 66 HIS CA C 13 57.2 . . . . . . . . . . . 4526 1 95 . 1 1 66 66 HIS CB C 13 30.7 . . . . . . . . . . . 4526 1 96 . 1 1 67 67 GLY CA C 13 45.4 . . . . . . . . . . . 4526 1 97 . 1 1 68 68 ALA CA C 13 52.2 . . . . . . . . . . . 4526 1 98 . 1 1 68 68 ALA CB C 13 19.5 . . . . . . . . . . . 4526 1 99 . 1 1 70 70 PRO CA C 13 64.2 . . . . . . . . . . . 4526 1 100 . 1 1 71 71 ASN CA C 13 54.0 . . . . . . . . . . . 4526 1 101 . 1 1 72 72 CYS CA C 13 56.2 . . . . . . . . . . . 4526 1 102 . 1 1 72 72 CYS CB C 13 28.5 . . . . . . . . . . . 4526 1 103 . 1 1 73 73 ALA CA C 13 49.5 . . . . . . . . . . . 4526 1 104 . 1 1 73 73 ALA CB C 13 21.8 . . . . . . . . . . . 4526 1 105 . 1 1 74 74 ASP CA C 13 52.2 . . . . . . . . . . . 4526 1 106 . 1 1 74 74 ASP CB C 13 43.0 . . . . . . . . . . . 4526 1 107 . 1 1 75 75 PRO CA C 13 64.8 . . . . . . . . . . . 4526 1 108 . 1 1 76 76 ALA CA C 13 54.0 . . . . . . . . . . . 4526 1 109 . 1 1 76 76 ALA CB C 13 19.9 . . . . . . . . . . . 4526 1 110 . 1 1 77 77 THR CA C 13 61.3 . . . . . . . . . . . 4526 1 111 . 1 1 77 77 THR CB C 13 71.0 . . . . . . . . . . . 4526 1 112 . 1 1 78 78 LEU CA C 13 55.9 . . . . . . . . . . . 4526 1 113 . 1 1 78 78 LEU CB C 13 39.5 . . . . . . . . . . . 4526 1 114 . 1 1 79 79 THR CA C 13 64.4 . . . . . . . . . . . 4526 1 115 . 1 1 79 79 THR CB C 13 69.0 . . . . . . . . . . . 4526 1 116 . 1 1 80 80 ARG CA C 13 54.8 . . . . . . . . . . . 4526 1 117 . 1 1 81 81 PRO CA C 13 66.6 . . . . . . . . . . . 4526 1 118 . 1 1 82 82 VAL CA C 13 65.5 . . . . . . . . . . . 4526 1 119 . 1 1 82 82 VAL CB C 13 32.2 . . . . . . . . . . . 4526 1 120 . 1 1 83 83 HIS CA C 13 63.7 . . . . . . . . . . . 4526 1 121 . 1 1 83 83 HIS CB C 13 31.8 . . . . . . . . . . . 4526 1 122 . 1 1 84 84 ASP CA C 13 58.0 . . . . . . . . . . . 4526 1 123 . 1 1 84 84 ASP CB C 13 41.3 . . . . . . . . . . . 4526 1 124 . 1 1 85 85 ALA CA C 13 55.9 . . . . . . . . . . . 4526 1 125 . 1 1 85 85 ALA CB C 13 17.7 . . . . . . . . . . . 4526 1 126 . 1 1 86 86 ALA CA C 13 55.1 . . . . . . . . . . . 4526 1 127 . 1 1 86 86 ALA CB C 13 19.6 . . . . . . . . . . . 4526 1 128 . 1 1 87 87 ARG CA C 13 58.7 . . . . . . . . . . . 4526 1 129 . 1 1 87 87 ARG CB C 13 30.7 . . . . . . . . . . . 4526 1 130 . 1 1 88 88 GLU CA C 13 56.6 . . . . . . . . . . . 4526 1 131 . 1 1 88 88 GLU CB C 13 30.8 . . . . . . . . . . . 4526 1 132 . 1 1 89 89 GLY CA C 13 44.7 . . . . . . . . . . . 4526 1 133 . 1 1 90 90 PHE CA C 13 56.4 . . . . . . . . . . . 4526 1 134 . 1 1 90 90 PHE CB C 13 38.5 . . . . . . . . . . . 4526 1 135 . 1 1 91 91 LEU CA C 13 58.0 . . . . . . . . . . . 4526 1 136 . 1 1 91 91 LEU CB C 13 42.4 . . . . . . . . . . . 4526 1 137 . 1 1 92 92 ASP CA C 13 57.6 . . . . . . . . . . . 4526 1 138 . 1 1 92 92 ASP CB C 13 38.6 . . . . . . . . . . . 4526 1 139 . 1 1 93 93 THR CA C 13 65.9 . . . . . . . . . . . 4526 1 140 . 1 1 93 93 THR CB C 13 67.8 . . . . . . . . . . . 4526 1 141 . 1 1 94 94 LEU CA C 13 58.9 . . . . . . . . . . . 4526 1 142 . 1 1 94 94 LEU CB C 13 42.1 . . . . . . . . . . . 4526 1 143 . 1 1 95 95 VAL CA C 13 67.2 . . . . . . . . . . . 4526 1 144 . 1 1 95 95 VAL CB C 13 31.5 . . . . . . . . . . . 4526 1 145 . 1 1 96 96 VAL CA C 13 66.5 . . . . . . . . . . . 4526 1 146 . 1 1 96 96 VAL CB C 13 31.4 . . . . . . . . . . . 4526 1 147 . 1 1 97 97 LEU CA C 13 58.3 . . . . . . . . . . . 4526 1 148 . 1 1 97 97 LEU CB C 13 41.7 . . . . . . . . . . . 4526 1 149 . 1 1 98 98 HIS CA C 13 58.1 . . . . . . . . . . . 4526 1 150 . 1 1 98 98 HIS CB C 13 32.9 . . . . . . . . . . . 4526 1 151 . 1 1 99 99 ARG CA C 13 58.9 . . . . . . . . . . . 4526 1 152 . 1 1 99 99 ARG CB C 13 30.1 . . . . . . . . . . . 4526 1 153 . 1 1 100 100 ALA CA C 13 51.8 . . . . . . . . . . . 4526 1 154 . 1 1 100 100 ALA CB C 13 21.2 . . . . . . . . . . . 4526 1 155 . 1 1 101 101 GLY CA C 13 44.7 . . . . . . . . . . . 4526 1 156 . 1 1 102 102 ALA CA C 13 52.4 . . . . . . . . . . . 4526 1 157 . 1 1 102 102 ALA CB C 13 19.8 . . . . . . . . . . . 4526 1 158 . 1 1 103 103 ARG CA C 13 55.8 . . . . . . . . . . . 4526 1 159 . 1 1 104 104 LEU CA C 13 54.3 . . . . . . . . . . . 4526 1 160 . 1 1 104 104 LEU CB C 13 42.0 . . . . . . . . . . . 4526 1 161 . 1 1 105 105 ASP CA C 13 52.6 . . . . . . . . . . . 4526 1 162 . 1 1 105 105 ASP CB C 13 38.8 . . . . . . . . . . . 4526 1 163 . 1 1 106 106 VAL CA C 13 58.6 . . . . . . . . . . . 4526 1 164 . 1 1 106 106 VAL CB C 13 33.6 . . . . . . . . . . . 4526 1 165 . 1 1 107 107 ARG CA C 13 54.6 . . . . . . . . . . . 4526 1 166 . 1 1 108 108 ASP CA C 13 53.0 . . . . . . . . . . . 4526 1 167 . 1 1 108 108 ASP CB C 13 40.4 . . . . . . . . . . . 4526 1 168 . 1 1 109 109 ALA CA C 13 54.2 . . . . . . . . . . . 4526 1 169 . 1 1 109 109 ALA CB C 13 17.5 . . . . . . . . . . . 4526 1 170 . 1 1 110 110 TRP CA C 13 58.6 . . . . . . . . . . . 4526 1 171 . 1 1 111 111 GLY CA C 13 45.7 . . . . . . . . . . . 4526 1 172 . 1 1 112 112 ARG CA C 13 56.8 . . . . . . . . . . . 4526 1 173 . 1 1 112 112 ARG CB C 13 30.4 . . . . . . . . . . . 4526 1 174 . 1 1 113 113 LEU CA C 13 53.1 . . . . . . . . . . . 4526 1 175 . 1 1 114 114 PRO CA C 13 66.9 . . . . . . . . . . . 4526 1 176 . 1 1 115 115 VAL CA C 13 64.9 . . . . . . . . . . . 4526 1 177 . 1 1 115 115 VAL CB C 13 30.6 . . . . . . . . . . . 4526 1 178 . 1 1 116 116 ASP CA C 13 57.2 . . . . . . . . . . . 4526 1 179 . 1 1 116 116 ASP CB C 13 40.8 . . . . . . . . . . . 4526 1 180 . 1 1 117 117 LEU CA C 13 57.2 . . . . . . . . . . . 4526 1 181 . 1 1 117 117 LEU CB C 13 42.0 . . . . . . . . . . . 4526 1 182 . 1 1 118 118 ALA CA C 13 55.0 . . . . . . . . . . . 4526 1 183 . 1 1 118 118 ALA CB C 13 18.6 . . . . . . . . . . . 4526 1 184 . 1 1 119 119 GLU CA C 13 59.1 . . . . . . . . . . . 4526 1 185 . 1 1 119 119 GLU CB C 13 29.7 . . . . . . . . . . . 4526 1 186 . 1 1 120 120 GLU CA C 13 59.1 . . . . . . . . . . . 4526 1 187 . 1 1 120 120 GLU CB C 13 29.5 . . . . . . . . . . . 4526 1 188 . 1 1 121 121 LEU CA C 13 53.8 . . . . . . . . . . . 4526 1 189 . 1 1 121 121 LEU CB C 13 40.9 . . . . . . . . . . . 4526 1 190 . 1 1 122 122 GLY CA C 13 46.0 . . . . . . . . . . . 4526 1 191 . 1 1 123 123 HIS CA C 13 53.1 . . . . . . . . . . . 4526 1 192 . 1 1 123 123 HIS CB C 13 28.7 . . . . . . . . . . . 4526 1 193 . 1 1 124 124 ARG CA C 13 59.7 . . . . . . . . . . . 4526 1 194 . 1 1 125 125 ASP CA C 13 57.4 . . . . . . . . . . . 4526 1 195 . 1 1 125 125 ASP CB C 13 39.4 . . . . . . . . . . . 4526 1 196 . 1 1 126 126 VAL CA C 13 66.1 . . . . . . . . . . . 4526 1 197 . 1 1 126 126 VAL CB C 13 31.4 . . . . . . . . . . . 4526 1 198 . 1 1 127 127 ALA CA C 13 55.8 . . . . . . . . . . . 4526 1 199 . 1 1 127 127 ALA CB C 13 18.3 . . . . . . . . . . . 4526 1 200 . 1 1 128 128 ARG CA C 13 59.7 . . . . . . . . . . . 4526 1 201 . 1 1 128 128 ARG CB C 13 29.9 . . . . . . . . . . . 4526 1 202 . 1 1 129 129 TYR CA C 13 61.7 . . . . . . . . . . . 4526 1 203 . 1 1 129 129 TYR CB C 13 38.8 . . . . . . . . . . . 4526 1 204 . 1 1 130 130 LEU CA C 13 57.6 . . . . . . . . . . . 4526 1 205 . 1 1 130 130 LEU CB C 13 41.7 . . . . . . . . . . . 4526 1 206 . 1 1 131 131 ARG CA C 13 58.8 . . . . . . . . . . . 4526 1 207 . 1 1 131 131 ARG CB C 13 30.0 . . . . . . . . . . . 4526 1 208 . 1 1 132 132 ALA CA C 13 54.0 . . . . . . . . . . . 4526 1 209 . 1 1 132 132 ALA CB C 13 18.1 . . . . . . . . . . . 4526 1 210 . 1 1 133 133 ALA CA C 13 53.4 . . . . . . . . . . . 4526 1 211 . 1 1 133 133 ALA CB C 13 18.4 . . . . . . . . . . . 4526 1 212 . 1 1 134 134 ALA CA C 13 52.8 . . . . . . . . . . . 4526 1 213 . 1 1 134 134 ALA CB C 13 19.1 . . . . . . . . . . . 4526 1 214 . 1 1 135 135 GLY CA C 13 45.5 . . . . . . . . . . . 4526 1 215 . 1 1 137 137 THR CA C 13 62.2 . . . . . . . . . . . 4526 1 216 . 1 1 137 137 THR CB C 13 69.7 . . . . . . . . . . . 4526 1 217 . 1 1 138 138 ARG CA C 13 56.4 . . . . . . . . . . . 4526 1 218 . 1 1 142 142 HIS CA C 13 57.2 . . . . . . . . . . . 4526 1 219 . 1 1 142 142 HIS CB C 13 30.7 . . . . . . . . . . . 4526 1 220 . 1 1 144 144 ARG CA C 13 55.9 . . . . . . . . . . . 4526 1 221 . 1 1 144 144 ARG CB C 13 30.8 . . . . . . . . . . . 4526 1 222 . 1 1 145 145 ILE CA C 13 61.1 . . . . . . . . . . . 4526 1 223 . 1 1 145 145 ILE CB C 13 38.6 . . . . . . . . . . . 4526 1 224 . 1 1 146 146 ASP CA C 13 54.1 . . . . . . . . . . . 4526 1 225 . 1 1 146 146 ASP CB C 13 41.1 . . . . . . . . . . . 4526 1 226 . 1 1 147 147 ALA CA C 13 52.5 . . . . . . . . . . . 4526 1 227 . 1 1 147 147 ALA CB C 13 19.3 . . . . . . . . . . . 4526 1 228 . 1 1 148 148 ALA CA C 13 52.5 . . . . . . . . . . . 4526 1 229 . 1 1 148 148 ALA CB C 13 19.3 . . . . . . . . . . . 4526 1 230 . 1 1 149 149 GLU CA C 13 56.3 . . . . . . . . . . . 4526 1 231 . 1 1 149 149 GLU CB C 13 30.6 . . . . . . . . . . . 4526 1 232 . 1 1 150 150 GLY CA C 13 44.5 . . . . . . . . . . . 4526 1 233 . 1 1 151 151 PRO CA C 13 63.0 . . . . . . . . . . . 4526 1 234 . 1 1 151 151 PRO CB C 13 32.1 . . . . . . . . . . . 4526 1 235 . 1 1 152 152 SER CA C 13 58.0 . . . . . . . . . . . 4526 1 236 . 1 1 152 152 SER CB C 13 63.7 . . . . . . . . . . . 4526 1 237 . 1 1 153 153 ASP CA C 13 54.1 . . . . . . . . . . . 4526 1 238 . 1 1 153 153 ASP CB C 13 41.1 . . . . . . . . . . . 4526 1 239 . 1 1 154 154 ILE CA C 13 58.4 . . . . . . . . . . . 4526 1 240 . 1 1 154 154 ILE CB C 13 38.7 . . . . . . . . . . . 4526 1 241 . 1 1 155 155 PRO CA C 13 63.2 . . . . . . . . . . . 4526 1 242 . 1 1 155 155 PRO CB C 13 32.0 . . . . . . . . . . . 4526 1 stop_ save_