NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
518092 | 2l00 | 17024 | cing | 2-parsed | STAR | entry | full | 78 |
data_2l00_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2l00 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_2l00 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2l00 _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2l00 "Master copy" parsed_2l00 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2l00 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2l00.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 2 distance NOE simple 5 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 4 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 4 distance PRE "Not applicable" 25 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 5 distance "general distance" simple 5 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 6 distance NOE simple 5 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 4 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 8 distance PRE "Not applicable" 25 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 9 distance "general distance" simple 5 parsed_2l00 1 1 2l00.mr . . XPLOR/CNS 10 peak "Not applicable" "Not applicable" 0 parsed_2l00 1 1 2l00.mr . . unknown 11 "chemical shift difference" "Not applicable" "Not applicable" 0 parsed_2l00 1 1 2l00.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l00 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_2l00 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER METAL BINDING PROTEIN/PEPTIDE BINDING PR29-JUN-10 2L00 *TITLE SOLUTION STRUCTURE OF THE NON-COVALENT COMPLEX OF THE ZNF216 A20 *TITLE 2 DOMAIN WITH UBIQUITIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ZFAND5 PROTEIN (ZINC FINGER PROTEIN 216 (PREDICTED), *COMPND 3 ISOFORM CRA_A); *COMPND 4 CHAIN: A; *COMPND 5 FRAGMENT: A20; *COMPND 6 SYNONYM: ZNF216-A20; *COMPND 7 ENGINEERED: YES; *COMPND 8 MOL_ID: 2; *COMPND 9 MOLECULE: UBIQUITIN; *COMPND 10 CHAIN: B; *COMPND 11 FRAGMENT: UBIQUITIN CORE DOMAIN; *COMPND 12 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; *SOURCE 3 ORGANISM_COMMON: RAT; *SOURCE 4 ORGANISM_TAXID: 10116; *SOURCE 5 GENE: RCG_48158, ZFAND5, ZFP216_PREDICTED; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: C41 (DE3); *SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR; *SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PGEX-4T1; *SOURCE 11 MOL_ID: 2; *SOURCE 12 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; *SOURCE 13 ORGANISM_COMMON: BAKER'S YEAST; *SOURCE 14 ORGANISM_TAXID: 4932; *SOURCE 15 GENE: PUBI-2, UBI1; *SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 17 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 18 EXPRESSION_SYSTEM_STRAIN: C41 (DE3); *SOURCE 19 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR; *SOURCE 20 EXPRESSION_SYSTEM_VECTOR: PKK223-3 *KEYWDS A20 DOMAIN, ZNF216, UBIQUITIN, ZINC FINGER, UBIQUITIN BINDING, METAL *KEYWDS 2 BINDING PROTEIN-PEPTIDE BINDING PROTEIN COMPLEX *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR T.P.GARNER, J.E.LONG, M.S.SEARLE, R.LAYFIELD *REVDAT 1 20-JUL-11 2L00 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 1 2 1 . . . parsed_2l00 1 3 1 . . . parsed_2l00 1 4 1 . . . parsed_2l00 1 5 1 . . . parsed_2l00 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 23 . HE# parsed_2l00 1 1 1 2 . . . . . . . . B 60 . HD2# parsed_2l00 1 2 1 1 . . . . . . . . A 25 . HD2# parsed_2l00 1 2 1 2 . . . . . . . . B 57 . HB# parsed_2l00 1 3 1 1 . . . . . . . . A 23 . HN parsed_2l00 1 3 1 2 . . . . . . . . B 58 . HB# parsed_2l00 1 4 1 1 . . . . . . . . A 23 . HN parsed_2l00 1 4 1 2 . . . . . . . . B 58 . HA parsed_2l00 1 5 1 1 . . . . . . . . A 33 . HN parsed_2l00 1 5 1 2 . . . . . . . . B 58 . HB# parsed_2l00 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.0 4.8 parsed_2l00 1 2 1 . . . . . 3.5 0.5 4.0 parsed_2l00 1 3 1 . . . . . 4.0 1.0 4.8 parsed_2l00 1 4 1 . . . . . 4.0 1.0 4.8 parsed_2l00 1 5 1 . . . . . 4.0 1.0 4.8 parsed_2l00 1 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 NOE 1 1 1 5 parsed_2l00 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 2 2 1 . . . parsed_2l00 2 3 1 . . . parsed_2l00 2 4 1 . . . parsed_2l00 2 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 33 . HN parsed_2l00 2 1 1 2 . . . . . . . . B 58 . OD1 parsed_2l00 2 2 1 1 . . . . . . . . A 33 . HG parsed_2l00 2 2 1 2 . . . . . . . . B 58 . OD2 parsed_2l00 2 3 1 1 . . . . . . . . A 33 . OG parsed_2l00 2 3 1 2 . . . . . . . . B 58 . OD2 parsed_2l00 2 4 1 1 . . . . . . . . A 33 . N parsed_2l00 2 4 1 2 . . . . . . . . B 58 . OD1 parsed_2l00 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.0 0.0 2.5 parsed_2l00 2 2 1 . . . . . 2.0 0.0 2.5 parsed_2l00 2 3 1 . . . . . 3.0 2.0 5.0 parsed_2l00 2 4 1 . . . . . 3.0 2.0 5.0 parsed_2l00 2 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 H-Bond 1 1 1 8 parsed_2l00 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type PRE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 4 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 3 2 1 . . . parsed_2l00 3 3 1 . . . parsed_2l00 3 4 1 . . . parsed_2l00 3 5 1 . . . parsed_2l00 3 6 1 . . . parsed_2l00 3 7 1 . . . parsed_2l00 3 8 1 . . . parsed_2l00 3 9 1 . . . parsed_2l00 3 10 1 . . . parsed_2l00 3 11 1 . . . parsed_2l00 3 12 1 . . . parsed_2l00 3 13 1 . . . parsed_2l00 3 14 1 . . . parsed_2l00 3 15 1 . . . parsed_2l00 3 16 1 . . . parsed_2l00 3 17 1 . . . parsed_2l00 3 18 1 . . . parsed_2l00 3 19 1 . . . parsed_2l00 3 20 1 . . . parsed_2l00 3 21 1 . . . parsed_2l00 3 22 1 . . . parsed_2l00 3 23 1 . . . parsed_2l00 3 24 1 . . . parsed_2l00 3 25 1 . . . parsed_2l00 3 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 12 . HN parsed_2l00 3 1 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 2 1 1 . . . . . . . . A 15 . HN parsed_2l00 3 2 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 3 1 1 . . . . . . . . A 16 . HN parsed_2l00 3 3 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 4 1 1 . . . . . . . . A 20 . HN parsed_2l00 3 4 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 5 1 1 . . . . . . . . A 21 . HN parsed_2l00 3 5 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 6 1 1 . . . . . . . . A 22 . HN parsed_2l00 3 6 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 7 1 1 . . . . . . . . A 23 . HN parsed_2l00 3 7 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 8 1 1 . . . . . . . . A 24 . HN parsed_2l00 3 8 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 9 1 1 . . . . . . . . A 33 . HN parsed_2l00 3 9 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 10 1 1 . . . . . . . . A 14 . HN parsed_2l00 3 10 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 11 1 1 . . . . . . . . A 18 . HN parsed_2l00 3 11 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 12 1 1 . . . . . . . . A 34 . HN parsed_2l00 3 12 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 13 1 1 . . . . . . . . A 35 . HN parsed_2l00 3 13 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 14 1 1 . . . . . . . . A 19 . HN parsed_2l00 3 14 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 15 1 1 . . . . . . . . A 32 . HN parsed_2l00 3 15 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 16 1 1 . . . . . . . . A 25 . HN parsed_2l00 3 16 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 17 1 1 . . . . . . . . A 31 . HN parsed_2l00 3 17 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 18 1 1 . . . . . . . . A 36 . HN parsed_2l00 3 18 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 19 1 1 . . . . . . . . A 27 . HN parsed_2l00 3 19 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 20 1 1 . . . . . . . . A 28 . HN parsed_2l00 3 20 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 21 1 1 . . . . . . . . A 30 . HN parsed_2l00 3 21 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 22 1 1 . . . . . . . . A 37 . HN parsed_2l00 3 22 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 23 1 1 . . . . . . . . A 38 . HN parsed_2l00 3 23 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 24 1 1 . . . . . . . . A 39 . HN parsed_2l00 3 24 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 25 1 1 . . . . . . . . A 41 . HN parsed_2l00 3 25 1 2 . . . . . . . . B 48 . CB parsed_2l00 3 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 17.0 15.0 19.0 parsed_2l00 3 2 1 . . . . . 14.0 11.8 16.5 parsed_2l00 3 3 1 . . . . . 13.0 10.8 15.0 parsed_2l00 3 4 1 . . . . . 14.0 10.8 16.5 parsed_2l00 3 5 1 . . . . . 12.0 8.8 14.0 parsed_2l00 3 6 1 . . . . . 11.0 8.8 13.0 parsed_2l00 3 7 1 . . . . . 8.0 6.0 10.0 parsed_2l00 3 8 1 . . . . . 12.0 9.8 14.0 parsed_2l00 3 9 1 . . . . . 14.0 12.0 16.0 parsed_2l00 3 10 1 . . . . . 15.0 12.0 17.5 parsed_2l00 3 11 1 . . . . . 18.0 16.0 20.0 parsed_2l00 3 12 1 . . . . . 15.0 12.0 17.0 parsed_2l00 3 13 1 . . . . . 16.6 13.6 18.6 parsed_2l00 3 14 1 . . . . . 16.0 13.0 18.0 parsed_2l00 3 15 1 . . . . . 16.0 13.0 18.0 parsed_2l00 3 16 1 . . . . . 16.0 13.0 19.0 parsed_2l00 3 17 1 . . . . . 20.0 17.0 21.0 parsed_2l00 3 18 1 . . . . . 19.0 16.0 20.0 parsed_2l00 3 19 1 . . . . . 20.5 17.5 22.5 parsed_2l00 3 20 1 . . . . . 20.0 17.0 21.0 parsed_2l00 3 21 1 . . . . . 20.9 17.9 21.9 parsed_2l00 3 22 1 . . . . . 20.0 17.0 21.0 parsed_2l00 3 23 1 . . . . . 21.0 18.0 22.0 parsed_2l00 3 24 1 . . . . . 20.9 17.9 22.9 parsed_2l00 3 25 1 . . . . . 24.0 20.0 27.0 parsed_2l00 3 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "PRE Class A - atenuated" 1 1 1 25 parsed_2l00 3 2 "PRE Class B - estimated distances" 14 1 14 35 parsed_2l00 3 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 4 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 4 2 1 . . . parsed_2l00 4 3 1 . . . parsed_2l00 4 4 1 . . . parsed_2l00 4 5 1 . . . parsed_2l00 4 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 25 . HD2# parsed_2l00 4 1 1 2 . . . . . . . . B 19 . CB parsed_2l00 4 2 1 1 . . . . . . . . A 22 . HZ parsed_2l00 4 2 1 2 . . . . . . . . B 51 . OE2 parsed_2l00 4 3 1 1 . . . . . . . . A 22 . HZ parsed_2l00 4 3 1 2 . . . . . . . . B 54 . NE parsed_2l00 4 4 1 1 . . . . . . . . A 34 . HG2* parsed_2l00 4 4 1 2 . . . . . . . . B 54 . HH* parsed_2l00 4 5 1 1 . . . . . . . . A 34 . HG2* parsed_2l00 4 5 1 2 . . . . . . . . B 54 . HH* parsed_2l00 4 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.5 1.5 5.4 parsed_2l00 4 2 1 . . . . . 5.0 2.5 5.5 parsed_2l00 4 3 1 . . . . . 5.0 1.0 5.8 parsed_2l00 4 4 1 . . . . . 3.5 1.5 5.0 parsed_2l00 4 5 1 . . . . . 3.5 1.5 5.0 parsed_2l00 4 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "Mutation Based CSP" 1 1 1 20 parsed_2l00 4 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 5 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 6 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 5 2 1 . . . parsed_2l00 5 3 1 . . . parsed_2l00 5 4 1 . . . parsed_2l00 5 5 1 . . . parsed_2l00 5 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 23 . HE# parsed_2l00 5 1 1 2 . . . . . . . . B 60 . HD2# parsed_2l00 5 2 1 1 . . . . . . . . A 25 . HD2# parsed_2l00 5 2 1 2 . . . . . . . . B 57 . HB# parsed_2l00 5 3 1 1 . . . . . . . . A 23 . HN parsed_2l00 5 3 1 2 . . . . . . . . B 58 . HB# parsed_2l00 5 4 1 1 . . . . . . . . A 23 . HN parsed_2l00 5 4 1 2 . . . . . . . . B 58 . HA parsed_2l00 5 5 1 1 . . . . . . . . A 33 . HN parsed_2l00 5 5 1 2 . . . . . . . . B 58 . HB# parsed_2l00 5 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.0 1.0 4.8 parsed_2l00 5 2 1 . . . . . 3.5 0.5 4.0 parsed_2l00 5 3 1 . . . . . 4.0 1.0 4.8 parsed_2l00 5 4 1 . . . . . 4.0 1.0 4.8 parsed_2l00 5 5 1 . . . . . 4.0 1.0 4.8 parsed_2l00 5 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 NOE 1 1 1 5 parsed_2l00 5 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 6 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 7 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 6 2 1 . . . parsed_2l00 6 3 1 . . . parsed_2l00 6 4 1 . . . parsed_2l00 6 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 33 . HN parsed_2l00 6 1 1 2 . . . . . . . . B 58 . OD1 parsed_2l00 6 2 1 1 . . . . . . . . A 33 . HG parsed_2l00 6 2 1 2 . . . . . . . . B 58 . OD2 parsed_2l00 6 3 1 1 . . . . . . . . A 33 . OG parsed_2l00 6 3 1 2 . . . . . . . . B 58 . OD2 parsed_2l00 6 4 1 1 . . . . . . . . A 33 . N parsed_2l00 6 4 1 2 . . . . . . . . B 58 . OD1 parsed_2l00 6 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 2.0 0.0 2.5 parsed_2l00 6 2 1 . . . . . 2.0 0.0 2.5 parsed_2l00 6 3 1 . . . . . 3.0 2.0 5.0 parsed_2l00 6 4 1 . . . . . 3.0 2.0 5.0 parsed_2l00 6 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 H-Bond 1 1 1 8 parsed_2l00 6 stop_ save_ save_CNS/XPLOR_distance_constraints_8 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 7 _Distance_constraint_list.Constraint_type PRE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 8 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 7 2 1 . . . parsed_2l00 7 3 1 . . . parsed_2l00 7 4 1 . . . parsed_2l00 7 5 1 . . . parsed_2l00 7 6 1 . . . parsed_2l00 7 7 1 . . . parsed_2l00 7 8 1 . . . parsed_2l00 7 9 1 . . . parsed_2l00 7 10 1 . . . parsed_2l00 7 11 1 . . . parsed_2l00 7 12 1 . . . parsed_2l00 7 13 1 . . . parsed_2l00 7 14 1 . . . parsed_2l00 7 15 1 . . . parsed_2l00 7 16 1 . . . parsed_2l00 7 17 1 . . . parsed_2l00 7 18 1 . . . parsed_2l00 7 19 1 . . . parsed_2l00 7 20 1 . . . parsed_2l00 7 21 1 . . . parsed_2l00 7 22 1 . . . parsed_2l00 7 23 1 . . . parsed_2l00 7 24 1 . . . parsed_2l00 7 25 1 . . . parsed_2l00 7 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 12 . HN parsed_2l00 7 1 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 2 1 1 . . . . . . . . A 15 . HN parsed_2l00 7 2 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 3 1 1 . . . . . . . . A 16 . HN parsed_2l00 7 3 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 4 1 1 . . . . . . . . A 20 . HN parsed_2l00 7 4 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 5 1 1 . . . . . . . . A 21 . HN parsed_2l00 7 5 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 6 1 1 . . . . . . . . A 22 . HN parsed_2l00 7 6 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 7 1 1 . . . . . . . . A 23 . HN parsed_2l00 7 7 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 8 1 1 . . . . . . . . A 24 . HN parsed_2l00 7 8 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 9 1 1 . . . . . . . . A 33 . HN parsed_2l00 7 9 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 10 1 1 . . . . . . . . A 14 . HN parsed_2l00 7 10 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 11 1 1 . . . . . . . . A 18 . HN parsed_2l00 7 11 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 12 1 1 . . . . . . . . A 34 . HN parsed_2l00 7 12 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 13 1 1 . . . . . . . . A 35 . HN parsed_2l00 7 13 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 14 1 1 . . . . . . . . A 19 . HN parsed_2l00 7 14 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 15 1 1 . . . . . . . . A 32 . HN parsed_2l00 7 15 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 16 1 1 . . . . . . . . A 25 . HN parsed_2l00 7 16 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 17 1 1 . . . . . . . . A 31 . HN parsed_2l00 7 17 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 18 1 1 . . . . . . . . A 36 . HN parsed_2l00 7 18 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 19 1 1 . . . . . . . . A 27 . HN parsed_2l00 7 19 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 20 1 1 . . . . . . . . A 28 . HN parsed_2l00 7 20 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 21 1 1 . . . . . . . . A 30 . HN parsed_2l00 7 21 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 22 1 1 . . . . . . . . A 37 . HN parsed_2l00 7 22 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 23 1 1 . . . . . . . . A 38 . HN parsed_2l00 7 23 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 24 1 1 . . . . . . . . A 39 . HN parsed_2l00 7 24 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 25 1 1 . . . . . . . . A 41 . HN parsed_2l00 7 25 1 2 . . . . . . . . B 48 . CB parsed_2l00 7 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 17.0 15.0 19.0 parsed_2l00 7 2 1 . . . . . 14.0 11.8 16.5 parsed_2l00 7 3 1 . . . . . 13.0 10.8 15.0 parsed_2l00 7 4 1 . . . . . 14.0 10.8 16.5 parsed_2l00 7 5 1 . . . . . 12.0 8.8 14.0 parsed_2l00 7 6 1 . . . . . 11.0 8.8 13.0 parsed_2l00 7 7 1 . . . . . 8.0 6.0 10.0 parsed_2l00 7 8 1 . . . . . 12.0 9.8 14.0 parsed_2l00 7 9 1 . . . . . 14.0 12.0 16.0 parsed_2l00 7 10 1 . . . . . 15.0 12.0 17.5 parsed_2l00 7 11 1 . . . . . 18.0 16.0 20.0 parsed_2l00 7 12 1 . . . . . 15.0 12.0 17.0 parsed_2l00 7 13 1 . . . . . 16.6 13.6 18.6 parsed_2l00 7 14 1 . . . . . 16.0 13.0 18.0 parsed_2l00 7 15 1 . . . . . 16.0 13.0 18.0 parsed_2l00 7 16 1 . . . . . 16.0 13.0 19.0 parsed_2l00 7 17 1 . . . . . 20.0 17.0 21.0 parsed_2l00 7 18 1 . . . . . 19.0 16.0 20.0 parsed_2l00 7 19 1 . . . . . 20.5 17.5 22.5 parsed_2l00 7 20 1 . . . . . 20.0 17.0 21.0 parsed_2l00 7 21 1 . . . . . 20.9 17.9 21.9 parsed_2l00 7 22 1 . . . . . 20.0 17.0 21.0 parsed_2l00 7 23 1 . . . . . 21.0 18.0 22.0 parsed_2l00 7 24 1 . . . . . 20.9 17.9 22.9 parsed_2l00 7 25 1 . . . . . 24.0 20.0 27.0 parsed_2l00 7 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "PRE Class A - atenuated" 1 1 1 25 parsed_2l00 7 2 "PRE Class B - estimated distances" 14 1 14 35 parsed_2l00 7 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2l00 _Distance_constraint_list.ID 8 _Distance_constraint_list.Constraint_type "general distance" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 9 _Distance_constraint_list.Details "Generated by Wattos" loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . parsed_2l00 8 2 1 . . . parsed_2l00 8 3 1 . . . parsed_2l00 8 4 1 . . . parsed_2l00 8 5 1 . . . parsed_2l00 8 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . A 25 . HD2# parsed_2l00 8 1 1 2 . . . . . . . . B 19 . CB parsed_2l00 8 2 1 1 . . . . . . . . A 22 . HZ parsed_2l00 8 2 1 2 . . . . . . . . B 51 . OE2 parsed_2l00 8 3 1 1 . . . . . . . . A 22 . HZ parsed_2l00 8 3 1 2 . . . . . . . . B 54 . NE parsed_2l00 8 4 1 1 . . . . . . . . A 34 . HG2* parsed_2l00 8 4 1 2 . . . . . . . . B 54 . HH* parsed_2l00 8 5 1 1 . . . . . . . . A 34 . HG2* parsed_2l00 8 5 1 2 . . . . . . . . B 54 . HH* parsed_2l00 8 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 4.5 1.5 5.4 parsed_2l00 8 2 1 . . . . . 5.0 2.5 5.5 parsed_2l00 8 3 1 . . . . . 5.0 1.0 5.8 parsed_2l00 8 4 1 . . . . . 3.5 1.5 5.0 parsed_2l00 8 5 1 . . . . . 3.5 1.5 5.0 parsed_2l00 8 stop_ loop_ _Dist_constraint_comment_org.ID _Dist_constraint_comment_org.Comment_text _Dist_constraint_comment_org.Comment_begin_line _Dist_constraint_comment_org.Comment_begin_column _Dist_constraint_comment_org.Comment_end_line _Dist_constraint_comment_org.Comment_end_column _Dist_constraint_comment_org.Entry_ID _Dist_constraint_comment_org.Distance_constraint_list_ID 1 "Mutation Based CSP" 1 1 1 20 parsed_2l00 8 stop_ save_
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