NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
52447 | 2kid | 16270 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 96 |
data_2kid_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2kid _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_2kid 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2kid _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 2kid "Master copy" parsed_2kid stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2kid _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 2kid.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 2 distance NOE simple 42 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 3 distance "general distance" simple 3 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 96 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kid 1 1 2kid.mr . . XPLOR/CNS 10 distance NOE ambi 0 parsed_2kid 1 1 2kid.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kid 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2kid _Distance_constraint_list.ID 1 _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_2kid 1 2 1 . . . parsed_2kid 1 3 1 . . . parsed_2kid 1 4 1 . . . parsed_2kid 1 5 1 . . . parsed_2kid 1 6 1 . . . parsed_2kid 1 7 1 . . . parsed_2kid 1 8 1 . . . parsed_2kid 1 9 1 . . . parsed_2kid 1 10 1 . . . parsed_2kid 1 11 1 . . . parsed_2kid 1 12 1 . . . parsed_2kid 1 13 1 . . . parsed_2kid 1 14 1 . . . parsed_2kid 1 15 1 . . . parsed_2kid 1 16 1 . . . parsed_2kid 1 17 1 . . . parsed_2kid 1 18 1 . . . parsed_2kid 1 19 1 . . . parsed_2kid 1 20 1 . . . parsed_2kid 1 21 1 . . . parsed_2kid 1 22 1 . . . parsed_2kid 1 23 1 . . . parsed_2kid 1 24 1 . . . parsed_2kid 1 25 1 . . . parsed_2kid 1 26 1 . . . parsed_2kid 1 27 1 . . . parsed_2kid 1 28 1 . . . parsed_2kid 1 29 1 . . . parsed_2kid 1 30 1 . . . parsed_2kid 1 31 1 . . . parsed_2kid 1 32 1 . . . parsed_2kid 1 33 1 . . . parsed_2kid 1 34 1 . . . parsed_2kid 1 35 1 . . . parsed_2kid 1 36 1 . . . parsed_2kid 1 37 1 . . . parsed_2kid 1 38 1 . . . parsed_2kid 1 39 1 . . . parsed_2kid 1 40 1 . . . parsed_2kid 1 41 1 . . . parsed_2kid 1 42 1 . . . parsed_2kid 1 43 1 . . . parsed_2kid 1 44 1 . . . parsed_2kid 1 45 1 . . . parsed_2kid 1 46 1 . . . parsed_2kid 1 47 1 . . . parsed_2kid 1 48 1 . . . parsed_2kid 1 49 1 . . . parsed_2kid 1 50 1 . . . parsed_2kid 1 51 1 . . . parsed_2kid 1 52 1 . . . parsed_2kid 1 53 1 . . . parsed_2kid 1 54 1 . . . parsed_2kid 1 55 1 . . . parsed_2kid 1 56 1 . . . parsed_2kid 1 57 1 . . . parsed_2kid 1 58 1 . . . parsed_2kid 1 59 1 . . . parsed_2kid 1 60 1 . . . parsed_2kid 1 61 1 . . . parsed_2kid 1 62 1 . . . parsed_2kid 1 63 1 . . . parsed_2kid 1 64 1 . . . parsed_2kid 1 65 1 . . . parsed_2kid 1 66 1 . . . parsed_2kid 1 67 1 . . . parsed_2kid 1 68 1 . . . parsed_2kid 1 69 1 . . . parsed_2kid 1 70 1 . . . parsed_2kid 1 71 1 . . . parsed_2kid 1 72 1 . . . parsed_2kid 1 73 1 . . . parsed_2kid 1 74 1 . . . parsed_2kid 1 75 1 . . . parsed_2kid 1 76 1 . . . parsed_2kid 1 77 1 . . . parsed_2kid 1 78 1 . . . parsed_2kid 1 79 1 . . . parsed_2kid 1 80 1 . . . parsed_2kid 1 81 1 . . . parsed_2kid 1 82 1 . . . parsed_2kid 1 83 1 . . . parsed_2kid 1 84 1 . . . parsed_2kid 1 85 1 . . . parsed_2kid 1 86 1 . . . parsed_2kid 1 87 1 . . . parsed_2kid 1 88 1 . . . parsed_2kid 1 89 1 . . . parsed_2kid 1 90 1 . . . parsed_2kid 1 91 1 . . . parsed_2kid 1 92 1 . . . parsed_2kid 1 93 1 . . . parsed_2kid 1 94 1 . . . parsed_2kid 1 95 1 . . . parsed_2kid 1 96 1 . . . parsed_2kid 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 . . . . . . . . . 17 . HN parsed_2kid 1 1 1 2 . . . . . . . . . 87 . O parsed_2kid 1 2 1 1 . . . . . . . . . 17 . N parsed_2kid 1 2 1 2 . . . . . . . . . 87 . O parsed_2kid 1 3 1 1 . . . . . . . . . 87 . HN parsed_2kid 1 3 1 2 . . . . . . . . . 17 . O parsed_2kid 1 4 1 1 . . . . . . . . . 87 . N parsed_2kid 1 4 1 2 . . . . . . . . . 17 . O parsed_2kid 1 5 1 1 . . . . . . . . . 19 . HN parsed_2kid 1 5 1 2 . . . . . . . . . 85 . O parsed_2kid 1 6 1 1 . . . . . . . . . 19 . N parsed_2kid 1 6 1 2 . . . . . . . . . 85 . O parsed_2kid 1 7 1 1 . . . . . . . . . 85 . HN parsed_2kid 1 7 1 2 . . . . . . . . . 19 . O parsed_2kid 1 8 1 1 . . . . . . . . . 85 . N parsed_2kid 1 8 1 2 . . . . . . . . . 19 . O parsed_2kid 1 9 1 1 . . . . . . . . . 18 . HN parsed_2kid 1 9 1 2 . . . . . . . . . 27 . O parsed_2kid 1 10 1 1 . . . . . . . . . 18 . N parsed_2kid 1 10 1 2 . . . . . . . . . 27 . O parsed_2kid 1 11 1 1 . . . . . . . . . 27 . HN parsed_2kid 1 11 1 2 . . . . . . . . . 18 . O parsed_2kid 1 12 1 1 . . . . . . . . . 27 . N parsed_2kid 1 12 1 2 . . . . . . . . . 18 . O parsed_2kid 1 13 1 1 . . . . . . . . . 20 . HN parsed_2kid 1 13 1 2 . . . . . . . . . 25 . O parsed_2kid 1 14 1 1 . . . . . . . . . 20 . N parsed_2kid 1 14 1 2 . . . . . . . . . 25 . O parsed_2kid 1 15 1 1 . . . . . . . . . 25 . HN parsed_2kid 1 15 1 2 . . . . . . . . . 20 . O parsed_2kid 1 16 1 1 . . . . . . . . . 25 . N parsed_2kid 1 16 1 2 . . . . . . . . . 20 . O parsed_2kid 1 17 1 1 . . . . . . . . . 29 . HN parsed_2kid 1 17 1 2 . . . . . . . . . 16 . O parsed_2kid 1 18 1 1 . . . . . . . . . 29 . N parsed_2kid 1 18 1 2 . . . . . . . . . 16 . O parsed_2kid 1 19 1 1 . . . . . . . . . 24 . HN parsed_2kid 1 19 1 2 . . . . . . . . . 21 . O parsed_2kid 1 20 1 1 . . . . . . . . . 24 . N parsed_2kid 1 20 1 2 . . . . . . . . . 21 . O parsed_2kid 1 21 1 1 . . . . . . . . . 39 . HN parsed_2kid 1 21 1 2 . . . . . . . . . 35 . O parsed_2kid 1 22 1 1 . . . . . . . . . 39 . N parsed_2kid 1 22 1 2 . . . . . . . . . 35 . O parsed_2kid 1 23 1 1 . . . . . . . . . 40 . HN parsed_2kid 1 23 1 2 . . . . . . . . . 36 . O parsed_2kid 1 24 1 1 . . . . . . . . . 40 . N parsed_2kid 1 24 1 2 . . . . . . . . . 36 . O parsed_2kid 1 25 1 1 . . . . . . . . . 97 . HN parsed_2kid 1 25 1 2 . . . . . . . . . 82 . O parsed_2kid 1 26 1 1 . . . . . . . . . 97 . N parsed_2kid 1 26 1 2 . . . . . . . . . 82 . O parsed_2kid 1 27 1 1 . . . . . . . . . 84 . HN parsed_2kid 1 27 1 2 . . . . . . . . . 95 . O parsed_2kid 1 28 1 1 . . . . . . . . . 84 . N parsed_2kid 1 28 1 2 . . . . . . . . . 95 . O parsed_2kid 1 29 1 1 . . . . . . . . . 95 . HN parsed_2kid 1 29 1 2 . . . . . . . . . 84 . O parsed_2kid 1 30 1 1 . . . . . . . . . 95 . N parsed_2kid 1 30 1 2 . . . . . . . . . 84 . O parsed_2kid 1 31 1 1 . . . . . . . . . 86 . HN parsed_2kid 1 31 1 2 . . . . . . . . . 93 . O parsed_2kid 1 32 1 1 . . . . . . . . . 86 . N parsed_2kid 1 32 1 2 . . . . . . . . . 93 . O parsed_2kid 1 33 1 1 . . . . . . . . . 93 . HN parsed_2kid 1 33 1 2 . . . . . . . . . 86 . O parsed_2kid 1 34 1 1 . . . . . . . . . 93 . N parsed_2kid 1 34 1 2 . . . . . . . . . 86 . O parsed_2kid 1 35 1 1 . . . . . . . . . 88 . HN parsed_2kid 1 35 1 2 . . . . . . . . . 91 . O parsed_2kid 1 36 1 1 . . . . . . . . . 88 . N parsed_2kid 1 36 1 2 . . . . . . . . . 91 . O parsed_2kid 1 37 1 1 . . . . . . . . . 91 . HN parsed_2kid 1 37 1 2 . . . . . . . . . 88 . O parsed_2kid 1 38 1 1 . . . . . . . . . 91 . N parsed_2kid 1 38 1 2 . . . . . . . . . 88 . O parsed_2kid 1 39 1 1 . . . . . . . . . 96 . HN parsed_2kid 1 39 1 2 . . . . . . . . . 145 . O parsed_2kid 1 40 1 1 . . . . . . . . . 96 . N parsed_2kid 1 40 1 2 . . . . . . . . . 145 . O parsed_2kid 1 41 1 1 . . . . . . . . . 145 . HN parsed_2kid 1 41 1 2 . . . . . . . . . 96 . O parsed_2kid 1 42 1 1 . . . . . . . . . 145 . N parsed_2kid 1 42 1 2 . . . . . . . . . 96 . O parsed_2kid 1 43 1 1 . . . . . . . . . 99 . HN parsed_2kid 1 43 1 2 . . . . . . . . . 143 . O parsed_2kid 1 44 1 1 . . . . . . . . . 99 . N parsed_2kid 1 44 1 2 . . . . . . . . . 143 . O parsed_2kid 1 45 1 1 . . . . . . . . . 143 . HN parsed_2kid 1 45 1 2 . . . . . . . . . 99 . O parsed_2kid 1 46 1 1 . . . . . . . . . 143 . N parsed_2kid 1 46 1 2 . . . . . . . . . 99 . O parsed_2kid 1 47 1 1 . . . . . . . . . 101 . HN parsed_2kid 1 47 1 2 . . . . . . . . . 141 . O parsed_2kid 1 48 1 1 . . . . . . . . . 101 . N parsed_2kid 1 48 1 2 . . . . . . . . . 141 . O parsed_2kid 1 49 1 1 . . . . . . . . . 141 . HN parsed_2kid 1 49 1 2 . . . . . . . . . 101 . O parsed_2kid 1 50 1 1 . . . . . . . . . 141 . N parsed_2kid 1 50 1 2 . . . . . . . . . 101 . O parsed_2kid 1 51 1 1 . . . . . . . . . 103 . HN parsed_2kid 1 51 1 2 . . . . . . . . . 139 . O parsed_2kid 1 52 1 1 . . . . . . . . . 103 . N parsed_2kid 1 52 1 2 . . . . . . . . . 139 . O parsed_2kid 1 53 1 1 . . . . . . . . . 146 . HN parsed_2kid 1 53 1 2 . . . . . . . . . 119 . O parsed_2kid 1 54 1 1 . . . . . . . . . 146 . N parsed_2kid 1 54 1 2 . . . . . . . . . 119 . O parsed_2kid 1 55 1 1 . . . . . . . . . 121 . HN parsed_2kid 1 55 1 2 . . . . . . . . . 144 . O parsed_2kid 1 56 1 1 . . . . . . . . . 121 . N parsed_2kid 1 56 1 2 . . . . . . . . . 144 . O parsed_2kid 1 57 1 1 . . . . . . . . . 144 . HN parsed_2kid 1 57 1 2 . . . . . . . . . 121 . O parsed_2kid 1 58 1 1 . . . . . . . . . 144 . N parsed_2kid 1 58 1 2 . . . . . . . . . 121 . O parsed_2kid 1 59 1 1 . . . . . . . . . 123 . HN parsed_2kid 1 59 1 2 . . . . . . . . . 142 . O parsed_2kid 1 60 1 1 . . . . . . . . . 123 . N parsed_2kid 1 60 1 2 . . . . . . . . . 142 . O parsed_2kid 1 61 1 1 . . . . . . . . . 142 . HN parsed_2kid 1 61 1 2 . . . . . . . . . 123 . O parsed_2kid 1 62 1 1 . . . . . . . . . 142 . N parsed_2kid 1 62 1 2 . . . . . . . . . 123 . O parsed_2kid 1 63 1 1 . . . . . . . . . 120 . HN parsed_2kid 1 63 1 2 . . . . . . . . . 55 . O parsed_2kid 1 64 1 1 . . . . . . . . . 120 . N parsed_2kid 1 64 1 2 . . . . . . . . . 55 . O parsed_2kid 1 65 1 1 . . . . . . . . . 57 . HN parsed_2kid 1 65 1 2 . . . . . . . . . 120 . O parsed_2kid 1 66 1 1 . . . . . . . . . 57 . N parsed_2kid 1 66 1 2 . . . . . . . . . 120 . O parsed_2kid 1 67 1 1 . . . . . . . . . 122 . HN parsed_2kid 1 67 1 2 . . . . . . . . . 57 . O parsed_2kid 1 68 1 1 . . . . . . . . . 122 . N parsed_2kid 1 68 1 2 . . . . . . . . . 57 . O parsed_2kid 1 69 1 1 . . . . . . . . . 59 . HN parsed_2kid 1 69 1 2 . . . . . . . . . 122 . O parsed_2kid 1 70 1 1 . . . . . . . . . 59 . N parsed_2kid 1 70 1 2 . . . . . . . . . 122 . O parsed_2kid 1 71 1 1 . . . . . . . . . 124 . HN parsed_2kid 1 71 1 2 . . . . . . . . . 59 . O parsed_2kid 1 72 1 1 . . . . . . . . . 124 . N parsed_2kid 1 72 1 2 . . . . . . . . . 59 . O parsed_2kid 1 73 1 1 . . . . . . . . . 61 . HN parsed_2kid 1 73 1 2 . . . . . . . . . 124 . O parsed_2kid 1 74 1 1 . . . . . . . . . 61 . N parsed_2kid 1 74 1 2 . . . . . . . . . 124 . O parsed_2kid 1 75 1 1 . . . . . . . . . 126 . HN parsed_2kid 1 75 1 2 . . . . . . . . . 61 . O parsed_2kid 1 76 1 1 . . . . . . . . . 126 . N parsed_2kid 1 76 1 2 . . . . . . . . . 61 . O parsed_2kid 1 77 1 1 . . . . . . . . . 46 . HN parsed_2kid 1 77 1 2 . . . . . . . . . 58 . O parsed_2kid 1 78 1 1 . . . . . . . . . 46 . N parsed_2kid 1 78 1 2 . . . . . . . . . 58 . O parsed_2kid 1 79 1 1 . . . . . . . . . 44 . HN parsed_2kid 1 79 1 2 . . . . . . . . . 60 . O parsed_2kid 1 80 1 1 . . . . . . . . . 44 . N parsed_2kid 1 80 1 2 . . . . . . . . . 60 . O parsed_2kid 1 81 1 1 . . . . . . . . . 60 . HN parsed_2kid 1 81 1 2 . . . . . . . . . 44 . O parsed_2kid 1 82 1 1 . . . . . . . . . 60 . N parsed_2kid 1 82 1 2 . . . . . . . . . 44 . O parsed_2kid 1 83 1 1 . . . . . . . . . 30 . HN parsed_2kid 1 83 1 2 . . . . . . . . . 43 . O parsed_2kid 1 84 1 1 . . . . . . . . . 30 . N parsed_2kid 1 84 1 2 . . . . . . . . . 43 . O parsed_2kid 1 85 1 1 . . . . . . . . . 45 . HN parsed_2kid 1 85 1 2 . . . . . . . . . 30 . O parsed_2kid 1 86 1 1 . . . . . . . . . 45 . N parsed_2kid 1 86 1 2 . . . . . . . . . 30 . O parsed_2kid 1 87 1 1 . . . . . . . . . 137 . HN parsed_2kid 1 87 1 2 . . . . . . . . . 128 . O parsed_2kid 1 88 1 1 . . . . . . . . . 137 . N parsed_2kid 1 88 1 2 . . . . . . . . . 128 . O parsed_2kid 1 89 1 1 . . . . . . . . . 130 . HN parsed_2kid 1 89 1 2 . . . . . . . . . 135 . O parsed_2kid 1 90 1 1 . . . . . . . . . 130 . N parsed_2kid 1 90 1 2 . . . . . . . . . 135 . O parsed_2kid 1 91 1 1 . . . . . . . . . 112 . HN parsed_2kid 1 91 1 2 . . . . . . . . . 109 . O parsed_2kid 1 92 1 1 . . . . . . . . . 112 . N parsed_2kid 1 92 1 2 . . . . . . . . . 109 . O parsed_2kid 1 93 1 1 . . . . . . . . . 111 . HN parsed_2kid 1 93 1 2 . . . . . . . . . 108 . O parsed_2kid 1 94 1 1 . . . . . . . . . 111 . N parsed_2kid 1 94 1 2 . . . . . . . . . 108 . O parsed_2kid 1 95 1 1 . . . . . . . . . 110 . HN parsed_2kid 1 95 1 2 . . . . . . . . . 107 . O parsed_2kid 1 96 1 1 . . . . . . . . . 110 . N parsed_2kid 1 96 1 2 . . . . . . . . . 107 . O parsed_2kid 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 . . . . . 2.3 1.5 2.5 parsed_2kid 1 2 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 3 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 4 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 5 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 6 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 7 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 8 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 9 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 10 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 11 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 12 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 13 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 14 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 15 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 16 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 17 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 18 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 19 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 20 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 21 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 22 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 23 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 24 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 25 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 26 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 27 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 28 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 29 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 30 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 31 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 32 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 33 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 34 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 35 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 36 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 37 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 38 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 39 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 40 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 41 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 42 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 43 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 44 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 45 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 46 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 47 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 48 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 49 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 50 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 51 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 52 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 53 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 54 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 55 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 56 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 57 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 58 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 59 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 60 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 61 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 62 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 63 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 64 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 65 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 66 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 67 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 68 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 69 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 70 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 71 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 72 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 73 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 74 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 75 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 76 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 77 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 78 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 79 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 80 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 81 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 82 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 83 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 84 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 85 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 86 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 87 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 88 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 89 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 90 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 91 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 92 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 93 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 94 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1 95 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1 96 1 . . . . . 3.3 2.5 3.5 parsed_2kid 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 ; !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !B1:G16-P21 || B5:S82-V88 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! B1/B5 OK ; 1 1 7 5 parsed_2kid 1 2 OK 13 1 13 5 parsed_2kid 1 3 ; B1/B5 OK ; 19 1 20 5 parsed_2kid 1 4 ; B1/B5 OK ; 26 1 27 5 parsed_2kid 1 5 ; PRO21 Terminates B1 ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !B1:G16-P21 || B2:D24-V29 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! OK ; 32 1 42 5 parsed_2kid 1 6 OK 48 1 48 5 parsed_2kid 1 7 ; B1/B2 OK ; 55 1 56 5 parsed_2kid 1 8 OK 61 1 61 5 parsed_2kid 1 9 "B1/B2 OK" 68 1 68 10 parsed_2kid 1 10 ; OK? (NOT SUPPORTED BY STRUCTURES?) SEEMS TO BE VIOLATED CHECK THIS AGAIN assign (resid 16 and name HN ) (resid 29 and name O ) 2.3 0.8 0.2 assign (resid 16 and name N ) (resid 29 and name O ) 3.3 0.8 0.2 GLY SEEMS TO END B1 B1/B2 OK WRONG!!!! assign (resid 23 and name HN ) (resid 20 and name O ) 2.3 0.8 0.2 assign (resid 23 and name N ) (resid 20 and name O ) 3.3 0.8 0.2 ; 73 1 87 47 parsed_2kid 1 11 ; ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! HELIX 1 (alpha 36-40) !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Compatible with exchange data/CSI ; 93 1 99 35 parsed_2kid 1 12 ; NEED TO FIGURE OUT 39-42, 38-41? ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B5:S82-V88 || B6:E91-K97? !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! B5/B6 !(NOT SUPPORTED BY STRUCTURES) !assign (resid 82 and name HN ) ! (resid 97 and name O ) 2.3 0.8 0.2 !assign (resid 82 and name N ) ! (resid 97 and name O ) 3.3 0.8 0.2 (supported by 50 % of the structures ) ; 109 1 127 40 parsed_2kid 1 13 "B5/B6 OK" 132 1 133 10 parsed_2kid 1 14 "B5/B6 (OK? NOT SUPPORTED BY STRUCTURES?)" 144 1 144 42 parsed_2kid 1 15 "B5/B6 OK" 150 1 150 10 parsed_2kid 1 16 "EXTRA HBONDS ADDED TO TIP" 156 1 156 27 parsed_2kid 1 17 ; ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B6:E91-K97^98^S99-R101 || B8:I141-V145 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ; 168 1 173 53 parsed_2kid 1 18 "put back in from NOE data on 040908" 195 1 195 37 parsed_2kid 1 19 "Added on 041108 based on NOEs" 201 1 201 31 parsed_2kid 1 20 "Added on 041108 based on NOEs" 207 1 207 31 parsed_2kid 1 21 ; Not sure about I141HN or D102HN ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B7:K119-T125 || B8:I141-V145 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! B7/B8 OK ; 214 1 223 10 parsed_2kid 1 22 "B7/B8 OK" 228 1 229 10 parsed_2kid 1 23 B7/B8 234 1 235 7 parsed_2kid 1 24 "B7/B8 (Supported by ~28 % Structures only)" 241 1 242 45 parsed_2kid 1 25 "B7/B8 (NOT Supported by Structures)" 247 1 248 38 parsed_2kid 1 26 ; B7/B8 (Supported by ~28 % Structures only) assign (resid 125 and name HN ) (resid 140 and name O ) 3.3 0.8 0.2 assign (resid 125 and name N ) (resid 140 and name O ) 3.3 0.8 0.2 ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B7:K119-T125 || B4:Q55-G61 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Complete Identical to apo except. the 126-61 is a test B4/B7 OK ; 254 1 269 10 parsed_2kid 1 27 "B4/B7 OK" 274 1 275 10 parsed_2kid 1 28 "B4/B7 OK (Supported by 50 % of Strucutures)" 280 1 281 45 parsed_2kid 1 29 "B4/B7 OK" 286 1 287 10 parsed_2kid 1 30 "B4/B7 OK" 292 1 293 10 parsed_2kid 1 31 "B4/B7 OK (Supported by 50 % of Strucutures)" 298 1 299 45 parsed_2kid 1 32 "B4/B7 OK (Based on apo structure data for this exchange?) RTC" 304 1 305 63 parsed_2kid 1 33 ; ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B3:V43-A46 || B4:Q55-G61 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! B3/B4 OK ; 311 1 319 10 parsed_2kid 1 34 "B3/B4 OK" 325 1 325 10 parsed_2kid 1 35 ; ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B3:V43-A46 || B4:Q55-G61 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! B2/B3 OK ; 336 1 345 10 parsed_2kid 1 36 "B2/B3 OK" 352 1 352 10 parsed_2kid 1 37 ; ################################################ ################################################ ################################################ ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! Within B7/B8 loop RTC !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Loop ; 358 1 370 6 parsed_2kid 1 38 "B2/B3 OK" 377 1 377 10 parsed_2kid 1 39 ; ################################################ ################################################ ################################################ ################################################ ################################################ ################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! Within B6/B7 loop 310 HELIX !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ; 383 1 392 53 parsed_2kid 1 stop_ save_
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