NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32808 |
1h2o   |
5490 | cing | recoord | 2-parsed | STAR | dihedral angle | 71 |
data_1h2o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1h2o
_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_1h2o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1h2o
_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 1h2o "Master copy" parsed_1h2o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1h2o
_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 1h2o.mr . . "MR format" 1 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1h2o 1
1 1h2o.mr . . XPLOR/CNS 2 distance NOE simple 1918 parsed_1h2o 1
1 1h2o.mr . . XPLOR/CNS 3 distance NOE simple 54 parsed_1h2o 1
1 1h2o.mr . . XPLOR/CNS 4 distance NOE simple 347 parsed_1h2o 1
1 1h2o.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 68 parsed_1h2o 1
1 1h2o.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 71 parsed_1h2o 1
1 1h2o.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1h2o 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1h2o
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1h2o 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1h2o 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1h2o 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1h2o 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1h2o 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1h2o 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1h2o 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1h2o 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1h2o 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1h2o 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1h2o 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1h2o 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1h2o 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1h2o 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1h2o 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1h2o 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1h2o 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1h2o 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1h2o 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1h2o 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1h2o 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1h2o 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1h2o 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1h2o 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1h2o 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1h2o 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1h2o 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1h2o 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1h2o 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1h2o 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1h2o 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1h2o 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_1h2o 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1h2o 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1h2o 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1h2o 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_1h2o 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_1h2o 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_1h2o 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_1h2o 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_1h2o 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_1h2o 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_1h2o 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_1h2o 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_1h2o 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_1h2o 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_1h2o 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_1h2o 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_1h2o 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_1h2o 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_1h2o 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_1h2o 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_1h2o 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_1h2o 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_1h2o 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_1h2o 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_1h2o 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 136 . C . 137 . N . 137 . CA . 137 . C parsed_1h2o 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_1h2o 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_1h2o 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_1h2o 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_1h2o 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_1h2o 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 147 . C . 148 . N . 148 . CA . 148 . C parsed_1h2o 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 148 . C . 149 . N . 149 . CA . 149 . C parsed_1h2o 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 149 . C . 150 . N . 150 . CA . 150 . C parsed_1h2o 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 150 . C . 151 . N . 151 . CA . 151 . C parsed_1h2o 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 151 . C . 152 . N . 152 . CA . 152 . C parsed_1h2o 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 153 . C . 154 . N . 154 . CA . 154 . C parsed_1h2o 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 155 . C . 156 . N . 156 . CA . 156 . C parsed_1h2o 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 158 . C . 159 . N . 159 . CA . 159 . C parsed_1h2o 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 angle restraints derived from scalar coupling constants" 1 1 1 67 parsed_1h2o 1
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:29:30 PM GMT (wattos1)