NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
626726 | 6bvy | 30383 | cing | 2-parsed | STAR | entry | full | 127 |
data_6bvy_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6bvy _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_6bvy 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6bvy _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 6bvy "Master copy" parsed_6bvy stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6bvy _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 6bvy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bvy 1 1 6bvy.mr . . XPLOR/CNS 2 distance NOE simple 106 parsed_6bvy 1 1 6bvy.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 17 parsed_6bvy 1 1 6bvy.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 4 parsed_6bvy 1 1 6bvy.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bvy 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_6bvy _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 BIOSYNTHETIC PROTEIN 14-DEC-17 6BVY *TITLE SFTI-HFRW-4 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-4; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; *SOURCE 4 ORGANISM_COMMON: COMMON SUNFLOWER; *SOURCE 5 ORGANISM_TAXID: 4232 *KEYWDS MELANOCORTIN, CYCLIC PEPTIDE, GRAFTING, PHARMACOPHORE, BIOSYNTHETIC *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR C.I.SCHROEDER,A.WHITE *REVDAT 1 18-APR-18 6BVY 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6bvy _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_6bvy 1 2 1 . . . parsed_6bvy 1 3 1 . . . parsed_6bvy 1 4 1 . . . parsed_6bvy 1 5 1 . . . parsed_6bvy 1 6 1 . . . parsed_6bvy 1 7 1 . . . parsed_6bvy 1 8 1 . . . parsed_6bvy 1 9 1 . . . parsed_6bvy 1 10 1 . . . parsed_6bvy 1 11 1 . . . parsed_6bvy 1 12 1 . . . parsed_6bvy 1 13 1 . . . parsed_6bvy 1 14 1 . . . parsed_6bvy 1 15 1 . . . parsed_6bvy 1 16 1 . . . parsed_6bvy 1 17 1 . . . parsed_6bvy 1 18 1 . . . parsed_6bvy 1 19 1 . . . parsed_6bvy 1 20 1 . . . parsed_6bvy 1 21 1 . . . parsed_6bvy 1 22 1 . . . parsed_6bvy 1 23 1 . . . parsed_6bvy 1 24 1 . . . parsed_6bvy 1 25 1 . . . parsed_6bvy 1 26 1 . . . parsed_6bvy 1 27 1 . . . parsed_6bvy 1 28 1 . . . parsed_6bvy 1 29 1 . . . parsed_6bvy 1 30 1 . . . parsed_6bvy 1 31 1 . . . parsed_6bvy 1 32 1 . . . parsed_6bvy 1 33 1 . . . parsed_6bvy 1 34 1 . . . parsed_6bvy 1 35 1 . . . parsed_6bvy 1 36 1 . . . parsed_6bvy 1 37 1 . . . parsed_6bvy 1 38 1 . . . parsed_6bvy 1 39 1 . . . parsed_6bvy 1 40 1 . . . parsed_6bvy 1 41 1 . . . parsed_6bvy 1 42 1 . . . parsed_6bvy 1 43 1 . . . parsed_6bvy 1 44 1 . . . parsed_6bvy 1 45 1 . . . parsed_6bvy 1 46 1 . . . parsed_6bvy 1 47 1 . . . parsed_6bvy 1 48 1 . . . parsed_6bvy 1 49 1 . . . parsed_6bvy 1 50 1 . . . parsed_6bvy 1 51 1 . . . parsed_6bvy 1 52 1 . . . parsed_6bvy 1 53 1 . . . parsed_6bvy 1 54 1 . . . parsed_6bvy 1 55 1 . . . parsed_6bvy 1 56 1 . . . parsed_6bvy 1 57 1 . . . parsed_6bvy 1 58 1 . . . parsed_6bvy 1 59 1 . . . parsed_6bvy 1 60 1 . . . parsed_6bvy 1 61 1 . . . parsed_6bvy 1 62 1 . . . parsed_6bvy 1 63 1 . . . parsed_6bvy 1 64 1 . . . parsed_6bvy 1 65 1 . . . parsed_6bvy 1 66 1 . . . parsed_6bvy 1 67 1 . . . parsed_6bvy 1 68 1 . . . parsed_6bvy 1 69 1 . . . parsed_6bvy 1 70 1 . . . parsed_6bvy 1 71 1 . . . parsed_6bvy 1 72 1 . . . parsed_6bvy 1 73 1 . . . parsed_6bvy 1 74 1 . . . parsed_6bvy 1 75 1 . . . parsed_6bvy 1 76 1 . . . parsed_6bvy 1 77 1 . . . parsed_6bvy 1 78 1 . . . parsed_6bvy 1 79 1 . . . parsed_6bvy 1 80 1 . . . parsed_6bvy 1 81 1 . . . parsed_6bvy 1 82 1 . . . parsed_6bvy 1 83 1 . . . parsed_6bvy 1 84 1 . . . parsed_6bvy 1 85 1 . . . parsed_6bvy 1 86 1 . . . parsed_6bvy 1 87 1 . . . parsed_6bvy 1 88 1 . . . parsed_6bvy 1 89 1 . . . parsed_6bvy 1 90 1 . . . parsed_6bvy 1 91 1 . . . parsed_6bvy 1 92 1 . . . parsed_6bvy 1 93 1 . . . parsed_6bvy 1 94 1 . . . parsed_6bvy 1 95 1 . . . parsed_6bvy 1 96 1 . . . parsed_6bvy 1 97 1 . . . parsed_6bvy 1 98 1 . . . parsed_6bvy 1 99 1 . . . parsed_6bvy 1 100 1 . . . parsed_6bvy 1 101 1 . . . parsed_6bvy 1 102 1 . . . parsed_6bvy 1 103 1 . . . parsed_6bvy 1 104 1 . . . parsed_6bvy 1 105 1 . . . parsed_6bvy 1 106 1 . . . parsed_6bvy 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 . . . . . . . . . 2 . HN parsed_6bvy 1 1 1 2 . . . . . . . . . 2 . HB parsed_6bvy 1 2 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1 2 1 2 . . . . . . . . . 2 . QG2 parsed_6bvy 1 3 1 1 . . . . . . . . . 2 . HA parsed_6bvy 1 3 1 2 . . . . . . . . . 3 . HN parsed_6bvy 1 4 1 1 . . . . . . . . . 2 . HB parsed_6bvy 1 4 1 2 . . . . . . . . . 3 . HN parsed_6bvy 1 5 1 1 . . . . . . . . . 3 . HA parsed_6bvy 1 5 1 2 . . . . . . . . . 4 . HN parsed_6bvy 1 6 1 1 . . . . . . . . . 4 . HA parsed_6bvy 1 6 1 2 . . . . . . . . . 5 . HN parsed_6bvy 1 7 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1 7 1 2 . . . . . . . . . 5 . HG12 parsed_6bvy 1 8 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1 8 1 2 . . . . . . . . . 14 . HD2 parsed_6bvy 1 9 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1 9 1 2 . . . . . . . . . 14 . HD1 parsed_6bvy 1 10 1 1 . . . . . . . . . 13 . HA parsed_6bvy 1 10 1 2 . . . . . . . . . 14 . HN parsed_6bvy 1 11 1 1 . . . . . . . . . 13 . HN parsed_6bvy 1 11 1 2 . . . . . . . . . 13 . HB1 parsed_6bvy 1 12 1 1 . . . . . . . . . 13 . HN parsed_6bvy 1 12 1 2 . . . . . . . . . 13 . HB2 parsed_6bvy 1 13 1 1 . . . . . . . . . 13 . HB1 parsed_6bvy 1 13 1 2 . . . . . . . . . 14 . HN parsed_6bvy 1 14 1 1 . . . . . . . . . 13 . HB2 parsed_6bvy 1 14 1 2 . . . . . . . . . 14 . HN parsed_6bvy 1 15 1 1 . . . . . . . . . 1 . HA parsed_6bvy 1 15 1 2 . . . . . . . . . 2 . HN parsed_6bvy 1 16 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1 16 1 2 . . . . . . . . . 6 . HA parsed_6bvy 1 17 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1 17 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1 18 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1 18 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1 19 1 1 . . . . . . . . . 6 . HA parsed_6bvy 1 19 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1 20 1 1 . . . . . . . . . 6 . HA parsed_6bvy 1 20 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1 21 1 1 . . . . . . . . . 6 . HB2 parsed_6bvy 1 21 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1 22 1 1 . . . . . . . . . 6 . HB2 parsed_6bvy 1 22 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1 23 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1 23 1 2 . . . . . . . . . 8 . HG12 parsed_6bvy 1 24 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1 24 1 2 . . . . . . . . . 8 . HG11 parsed_6bvy 1 25 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1 25 1 2 . . . . . . . . . 8 . QD1 parsed_6bvy 1 26 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1 26 1 2 . . . . . . . . . 8 . QG2 parsed_6bvy 1 27 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1 27 1 2 . . . . . . . . . 8 . HB parsed_6bvy 1 28 1 1 . . . . . . . . . 7 . HA parsed_6bvy 1 28 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 29 1 1 . . . . . . . . . 8 . HA parsed_6bvy 1 29 1 2 . . . . . . . . . 9 . HN parsed_6bvy 1 30 1 1 . . . . . . . . . 1 . HN parsed_6bvy 1 30 1 2 . . . . . . . . . 14 . HA parsed_6bvy 1 31 1 1 . . . . . . . . . 12 . HB2 parsed_6bvy 1 31 1 2 . . . . . . . . . 12 . HE parsed_6bvy 1 32 1 1 . . . . . . . . . 12 . HB1 parsed_6bvy 1 32 1 2 . . . . . . . . . 12 . HE parsed_6bvy 1 33 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1 33 1 2 . . . . . . . . . 5 . HB parsed_6bvy 1 34 1 1 . . . . . . . . . 13 . HB2 parsed_6bvy 1 34 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 35 1 1 . . . . . . . . . 13 . HB1 parsed_6bvy 1 35 1 2 . . . . . . . . . 13 . HE3 parsed_6bvy 1 36 1 1 . . . . . . . . . 13 . HA parsed_6bvy 1 36 1 2 . . . . . . . . . 13 . HE3 parsed_6bvy 1 37 1 1 . . . . . . . . . 13 . HA parsed_6bvy 1 37 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 38 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1 38 1 2 . . . . . . . . . 9 . HA parsed_6bvy 1 39 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1 39 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1 40 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1 40 1 2 . . . . . . . . . 8 . HB parsed_6bvy 1 41 1 1 . . . . . . . . . 8 . QG2 parsed_6bvy 1 41 1 2 . . . . . . . . . 9 . HN parsed_6bvy 1 42 1 1 . . . . . . . . . 2 . HN parsed_6bvy 1 42 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 43 1 1 . . . . . . . . . 3 . HN parsed_6bvy 1 43 1 2 . . . . . . . . . 4 . HN parsed_6bvy 1 44 1 1 . . . . . . . . . 7 . HB2 parsed_6bvy 1 44 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 45 1 1 . . . . . . . . . 7 . HB1 parsed_6bvy 1 45 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 46 1 1 . . . . . . . . . 2 . HB parsed_6bvy 1 46 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 47 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1 47 1 2 . . . . . . . . . 13 . HN parsed_6bvy 1 48 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1 48 1 2 . . . . . . . . . 13 . HN parsed_6bvy 1 49 1 1 . . . . . . . . . 4 . HN parsed_6bvy 1 49 1 2 . . . . . . . . . 7 . HA parsed_6bvy 1 50 1 1 . . . . . . . . . 3 . QB parsed_6bvy 1 50 1 2 . . . . . . . . . 4 . HN parsed_6bvy 1 51 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1 51 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 52 1 1 . . . . . . . . . 10 . HB1 parsed_6bvy 1 52 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 53 1 1 . . . . . . . . . 10 . HB2 parsed_6bvy 1 53 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 54 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1 54 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 55 1 1 . . . . . . . . . 11 . QD parsed_6bvy 1 55 1 2 . . . . . . . . . 12 . QN parsed_6bvy 1 56 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1 56 1 2 . . . . . . . . . 10 . HD2 parsed_6bvy 1 57 1 1 . . . . . . . . . 11 . QD parsed_6bvy 1 57 1 2 . . . . . . . . . 12 . HG2 parsed_6bvy 1 58 1 1 . . . . . . . . . 11 . QD parsed_6bvy 1 58 1 2 . . . . . . . . . 12 . HG1 parsed_6bvy 1 59 1 1 . . . . . . . . . 11 . QE parsed_6bvy 1 59 1 2 . . . . . . . . . 12 . HG1 parsed_6bvy 1 60 1 1 . . . . . . . . . 11 . QE parsed_6bvy 1 60 1 2 . . . . . . . . . 12 . HG2 parsed_6bvy 1 61 1 1 . . . . . . . . . 11 . HA parsed_6bvy 1 61 1 2 . . . . . . . . . 11 . QD parsed_6bvy 1 62 1 1 . . . . . . . . . 4 . HN parsed_6bvy 1 62 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 63 1 1 . . . . . . . . . 9 . HA parsed_6bvy 1 63 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1 64 1 1 . . . . . . . . . 1 . HA parsed_6bvy 1 64 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1 65 1 1 . . . . . . . . . 1 . HA parsed_6bvy 1 65 1 2 . . . . . . . . . 9 . HA parsed_6bvy 1 66 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1 66 1 2 . . . . . . . . . 5 . QG2 parsed_6bvy 1 67 1 1 . . . . . . . . . 2 . HA parsed_6bvy 1 67 1 2 . . . . . . . . . 2 . QG2 parsed_6bvy 1 68 1 1 . . . . . . . . . 8 . HA parsed_6bvy 1 68 1 2 . . . . . . . . . 8 . QG2 parsed_6bvy 1 69 1 1 . . . . . . . . . 8 . HA parsed_6bvy 1 69 1 2 . . . . . . . . . 8 . QD1 parsed_6bvy 1 70 1 1 . . . . . . . . . 8 . QG2 parsed_6bvy 1 70 1 2 . . . . . . . . . 8 . QD1 parsed_6bvy 1 71 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1 71 1 2 . . . . . . . . . 13 . HB1 parsed_6bvy 1 72 1 1 . . . . . . . . . 10 . QN parsed_6bvy 1 72 1 2 . . . . . . . . . 13 . HB2 parsed_6bvy 1 73 1 1 . . . . . . . . . 8 . QG2 parsed_6bvy 1 73 1 2 . . . . . . . . . 10 . QN parsed_6bvy 1 74 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1 74 1 2 . . . . . . . . . 13 . HE1 parsed_6bvy 1 75 1 1 . . . . . . . . . 6 . HB1 parsed_6bvy 1 75 1 2 . . . . . . . . . 7 . HD1 parsed_6bvy 1 76 1 1 . . . . . . . . . 6 . HB1 parsed_6bvy 1 76 1 2 . . . . . . . . . 7 . HD2 parsed_6bvy 1 77 1 1 . . . . . . . . . 3 . HN parsed_6bvy 1 77 1 2 . . . . . . . . . 3 . QB parsed_6bvy 1 78 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1 78 1 2 . . . . . . . . . 5 . HG11 parsed_6bvy 1 79 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1 79 1 2 . . . . . . . . . 5 . QG2 parsed_6bvy 1 80 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1 80 1 2 . . . . . . . . . 5 . QD1 parsed_6bvy 1 81 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1 81 1 2 . . . . . . . . . 14 . HG2 parsed_6bvy 1 82 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1 82 1 2 . . . . . . . . . 14 . HG1 parsed_6bvy 1 83 1 1 . . . . . . . . . 1 . HN parsed_6bvy 1 83 1 2 . . . . . . . . . 1 . QB parsed_6bvy 1 84 1 1 . . . . . . . . . 1 . HN parsed_6bvy 1 84 1 2 . . . . . . . . . 14 . QB parsed_6bvy 1 85 1 1 . . . . . . . . . 1 . QB parsed_6bvy 1 85 1 2 . . . . . . . . . 2 . HN parsed_6bvy 1 86 1 1 . . . . . . . . . 1 . QB parsed_6bvy 1 86 1 2 . . . . . . . . . 7 . QB parsed_6bvy 1 87 1 1 . . . . . . . . . 1 . QB parsed_6bvy 1 87 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 88 1 1 . . . . . . . . . 4 . HN parsed_6bvy 1 88 1 2 . . . . . . . . . 4 . QB parsed_6bvy 1 89 1 1 . . . . . . . . . 4 . QB parsed_6bvy 1 89 1 2 . . . . . . . . . 5 . HN parsed_6bvy 1 90 1 1 . . . . . . . . . 5 . HN parsed_6bvy 1 90 1 2 . . . . . . . . . 5 . QG1 parsed_6bvy 1 91 1 1 . . . . . . . . . 5 . HA parsed_6bvy 1 91 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1 92 1 1 . . . . . . . . . 5 . QG2 parsed_6bvy 1 92 1 2 . . . . . . . . . 5 . QG1 parsed_6bvy 1 93 1 1 . . . . . . . . . 5 . QG2 parsed_6bvy 1 93 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1 94 1 1 . . . . . . . . . 5 . QD1 parsed_6bvy 1 94 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1 95 1 1 . . . . . . . . . 6 . HA parsed_6bvy 1 95 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1 96 1 1 . . . . . . . . . 6 . QB parsed_6bvy 1 96 1 2 . . . . . . . . . 7 . QD parsed_6bvy 1 97 1 1 . . . . . . . . . 7 . QB parsed_6bvy 1 97 1 2 . . . . . . . . . 8 . HN parsed_6bvy 1 98 1 1 . . . . . . . . . 8 . HN parsed_6bvy 1 98 1 2 . . . . . . . . . 8 . QG1 parsed_6bvy 1 99 1 1 . . . . . . . . . 9 . HN parsed_6bvy 1 99 1 2 . . . . . . . . . 9 . QB parsed_6bvy 1 100 1 1 . . . . . . . . . 10 . QB parsed_6bvy 1 100 1 2 . . . . . . . . . 13 . HD1 parsed_6bvy 1 101 1 1 . . . . . . . . . 11 . HN parsed_6bvy 1 101 1 2 . . . . . . . . . 11 . QB parsed_6bvy 1 102 1 1 . . . . . . . . . 11 . QE parsed_6bvy 1 102 1 2 . . . . . . . . . 12 . QG parsed_6bvy 1 103 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1 103 1 2 . . . . . . . . . 12 . QB parsed_6bvy 1 104 1 1 . . . . . . . . . 12 . QN parsed_6bvy 1 104 1 2 . . . . . . . . . 12 . QG parsed_6bvy 1 105 1 1 . . . . . . . . . 14 . HN parsed_6bvy 1 105 1 2 . . . . . . . . . 14 . QB parsed_6bvy 1 106 1 1 . . . . . . . . . 14 . HA parsed_6bvy 1 106 1 2 . . . . . . . . . 14 . QG parsed_6bvy 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 . . . . . 3.87 0.00 3.87 parsed_6bvy 1 2 1 . . . . . 3.25 0.00 3.25 parsed_6bvy 1 3 1 . . . . . 2.89 0.00 2.89 parsed_6bvy 1 4 1 . . . . . 3.29 0.00 3.29 parsed_6bvy 1 5 1 . . . . . 3.50 0.00 3.50 parsed_6bvy 1 6 1 . . . . . 3.02 0.00 3.02 parsed_6bvy 1 7 1 . . . . . 4.70 0.00 4.70 parsed_6bvy 1 8 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1 9 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1 10 1 . . . . . 3.04 0.00 3.04 parsed_6bvy 1 11 1 . . . . . 4.07 0.00 4.07 parsed_6bvy 1 12 1 . . . . . 3.24 0.00 3.24 parsed_6bvy 1 13 1 . . . . . 3.04 0.00 3.04 parsed_6bvy 1 14 1 . . . . . 4.23 0.00 4.23 parsed_6bvy 1 15 1 . . . . . 2.80 0.00 2.80 parsed_6bvy 1 16 1 . . . . . 3.71 0.00 3.71 parsed_6bvy 1 17 1 . . . . . 4.09 0.00 4.09 parsed_6bvy 1 18 1 . . . . . 4.09 0.00 4.09 parsed_6bvy 1 19 1 . . . . . 3.02 0.00 3.02 parsed_6bvy 1 20 1 . . . . . 3.02 0.00 3.02 parsed_6bvy 1 21 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1 22 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1 23 1 . . . . . 4.18 0.00 4.18 parsed_6bvy 1 24 1 . . . . . 4.18 0.00 4.18 parsed_6bvy 1 25 1 . . . . . 4.85 0.00 4.85 parsed_6bvy 1 26 1 . . . . . 4.62 0.00 4.62 parsed_6bvy 1 27 1 . . . . . 3.30 0.00 3.30 parsed_6bvy 1 28 1 . . . . . 2.81 0.00 2.81 parsed_6bvy 1 29 1 . . . . . 2.78 0.00 2.78 parsed_6bvy 1 30 1 . . . . . 3.21 0.00 3.21 parsed_6bvy 1 31 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1 32 1 . . . . . 5.50 0.00 5.50 parsed_6bvy 1 33 1 . . . . . 3.45 0.00 3.45 parsed_6bvy 1 34 1 . . . . . 3.53 0.00 3.53 parsed_6bvy 1 35 1 . . . . . 3.96 0.00 3.96 parsed_6bvy 1 36 1 . . . . . 3.48 0.00 3.48 parsed_6bvy 1 37 1 . . . . . 4.22 0.00 4.22 parsed_6bvy 1 38 1 . . . . . 4.16 0.00 4.16 parsed_6bvy 1 39 1 . . . . . 4.83 0.00 4.83 parsed_6bvy 1 40 1 . . . . . 4.52 0.00 4.52 parsed_6bvy 1 41 1 . . . . . 3.86 0.00 3.86 parsed_6bvy 1 42 1 . . . . . 3.49 0.00 3.49 parsed_6bvy 1 43 1 . . . . . 4.10 0.00 4.10 parsed_6bvy 1 44 1 . . . . . 4.36 0.00 4.36 parsed_6bvy 1 45 1 . . . . . 4.36 0.00 4.36 parsed_6bvy 1 46 1 . . . . . 4.59 0.00 4.59 parsed_6bvy 1 47 1 . . . . . 3.60 0.00 3.60 parsed_6bvy 1 48 1 . . . . . 3.72 0.00 3.72 parsed_6bvy 1 49 1 . . . . . 3.82 0.00 3.82 parsed_6bvy 1 50 1 . . . . . 4.27 0.00 4.27 parsed_6bvy 1 51 1 . . . . . 4.56 0.00 4.56 parsed_6bvy 1 52 1 . . . . . 4.60 0.00 4.60 parsed_6bvy 1 53 1 . . . . . 4.60 0.00 4.60 parsed_6bvy 1 54 1 . . . . . 3.66 0.00 3.66 parsed_6bvy 1 55 1 . . . . . 3.74 0.00 3.74 parsed_6bvy 1 56 1 . . . . . 4.62 0.00 4.62 parsed_6bvy 1 57 1 . . . . . 4.50 0.00 4.50 parsed_6bvy 1 58 1 . . . . . 4.50 0.00 4.50 parsed_6bvy 1 59 1 . . . . . 4.64 0.00 4.64 parsed_6bvy 1 60 1 . . . . . 4.64 0.00 4.64 parsed_6bvy 1 61 1 . . . . . 4.21 0.00 4.21 parsed_6bvy 1 62 1 . . . . . 4.81 0.00 4.81 parsed_6bvy 1 63 1 . . . . . 3.35 0.00 3.35 parsed_6bvy 1 64 1 . . . . . 4.56 0.00 4.56 parsed_6bvy 1 65 1 . . . . . 3.89 0.00 3.89 parsed_6bvy 1 66 1 . . . . . 4.05 0.00 4.05 parsed_6bvy 1 67 1 . . . . . 3.76 0.00 3.76 parsed_6bvy 1 68 1 . . . . . 4.01 0.00 4.01 parsed_6bvy 1 69 1 . . . . . 4.54 0.00 4.54 parsed_6bvy 1 70 1 . . . . . 2.47 0.00 2.47 parsed_6bvy 1 71 1 . . . . . 4.32 0.00 4.32 parsed_6bvy 1 72 1 . . . . . 4.95 0.00 4.95 parsed_6bvy 1 73 1 . . . . . 4.89 0.00 4.89 parsed_6bvy 1 74 1 . . . . . 4.40 0.00 4.40 parsed_6bvy 1 75 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1 76 1 . . . . . 4.42 0.00 4.42 parsed_6bvy 1 77 1 . . . . . 3.19 0.00 3.19 parsed_6bvy 1 78 1 . . . . . 4.70 0.00 4.70 parsed_6bvy 1 79 1 . . . . . 4.54 0.00 4.54 parsed_6bvy 1 80 1 . . . . . 5.01 0.00 5.01 parsed_6bvy 1 81 1 . . . . . 4.00 0.00 4.00 parsed_6bvy 1 82 1 . . . . . 4.00 0.00 4.00 parsed_6bvy 1 83 1 . . . . . 3.07 0.00 3.07 parsed_6bvy 1 84 1 . . . . . 3.95 0.00 3.95 parsed_6bvy 1 85 1 . . . . . 3.23 0.00 3.23 parsed_6bvy 1 86 1 . . . . . 3.92 0.00 3.92 parsed_6bvy 1 87 1 . . . . . 4.64 0.00 4.64 parsed_6bvy 1 88 1 . . . . . 3.54 0.00 3.54 parsed_6bvy 1 89 1 . . . . . 3.08 0.00 3.08 parsed_6bvy 1 90 1 . . . . . 4.04 0.00 4.04 parsed_6bvy 1 91 1 . . . . . 3.38 0.00 3.38 parsed_6bvy 1 92 1 . . . . . 3.32 0.00 3.32 parsed_6bvy 1 93 1 . . . . . 5.35 0.00 5.35 parsed_6bvy 1 94 1 . . . . . 5.35 0.00 5.35 parsed_6bvy 1 95 1 . . . . . 2.60 0.00 2.60 parsed_6bvy 1 96 1 . . . . . 3.21 0.00 3.21 parsed_6bvy 1 97 1 . . . . . 3.82 0.00 3.82 parsed_6bvy 1 98 1 . . . . . 3.56 0.00 3.56 parsed_6bvy 1 99 1 . . . . . 3.23 0.00 3.23 parsed_6bvy 1 100 1 . . . . . 3.83 0.00 3.83 parsed_6bvy 1 101 1 . . . . . 3.62 0.00 3.62 parsed_6bvy 1 102 1 . . . . . 4.06 0.00 4.06 parsed_6bvy 1 103 1 . . . . . 2.93 0.00 2.93 parsed_6bvy 1 104 1 . . . . . 3.48 0.00 3.48 parsed_6bvy 1 105 1 . . . . . 2.75 0.00 2.75 parsed_6bvy 1 106 1 . . . . . 3.54 0.00 3.54 parsed_6bvy 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 "Distance restraints" 2 1 2 21 parsed_6bvy 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: restraints.tbl" 1 1 1 35 parsed_6bvy 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6bvy _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.1 -87.5 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6bvy 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.6 158.6 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6bvy 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.9 -52.1 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6bvy 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.3 171.1 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6bvy 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.4 -60.6 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6bvy 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 169.8 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6bvy 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.4 170.6 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6bvy 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.7 164.7 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6bvy 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.5 -60.5 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6bvy 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.2 147.2 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6bvy 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.8 -98.2 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6bvy 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.4 167.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6bvy 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 1 . N . 1 . CA . 1 . CB . 1 . SG parsed_6bvy 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . N . 4 . CA . 4 . CB . 4 . OG parsed_6bvy 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . N . 9 . CA . 9 . CB . 9 . SG parsed_6bvy 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_6bvy 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_6bvy 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 "Dihedral restraints" 1 1 1 21 parsed_6bvy 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6bvy _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_6bvy 2 2 1 . . . parsed_6bvy 2 3 1 . . . parsed_6bvy 2 4 1 . . . parsed_6bvy 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 . . . . . . . . . 2 . O parsed_6bvy 2 1 1 2 . . . . . . . . . 4 . HN parsed_6bvy 2 2 1 1 . . . . . . . . . 2 . O parsed_6bvy 2 2 1 2 . . . . . . . . . 4 . N parsed_6bvy 2 3 1 1 . . . . . . . . . 2 . OG1 parsed_6bvy 2 3 1 2 . . . . . . . . . 8 . HN parsed_6bvy 2 4 1 1 . . . . . . . . . 2 . OG1 parsed_6bvy 2 4 1 2 . . . . . . . . . 8 . N parsed_6bvy 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 . . . . . 2.00 0.00 2.00 parsed_6bvy 2 2 1 . . . . . 3.00 0.00 3.00 parsed_6bvy 2 3 1 . . . . . 2.00 0.00 2.00 parsed_6bvy 2 4 1 . . . . . 3.00 0.00 3.00 parsed_6bvy 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-bonds 1 1 1 9 parsed_6bvy 2 stop_ save_
Contact the webmaster for help, if required. Friday, June 28, 2024 12:21:40 PM GMT (wattos1)