NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
31828 |
1f3y   |
4448 | cing | recoord | dress | 2-parsed | STAR | dipolar coupling | 94 |
data_1f3y_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1f3y
_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_1f3y 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1f3y
_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 1f3y "Master copy" parsed_1f3y
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1f3y
_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 1f3y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1f3y 1
1 1f3y.mr . . XPLOR/CNS 2 distance NOE simple 2006 parsed_1f3y 1
1 1f3y.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1f3y 1
1 1f3y.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 80 parsed_1f3y 1
1 1f3y.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1f3y 1
1 1f3y.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 219 parsed_1f3y 1
1 1f3y.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1f3y 1
1 1f3y.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 94 parsed_1f3y 1
1 1f3y.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1f3y 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1f3y
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . -6.4735 . . . . . 14 . N . 14 . HN parsed_1f3y 1
2 . . . . . . . . . . . . . . . . 3.5695 . . . . . 16 . N . 16 . HN parsed_1f3y 1
3 . . . . . . . . . . . . . . . . 6.534 . . . . . 17 . N . 17 . HN parsed_1f3y 1
4 . . . . . . . . . . . . . . . . 3.6905 . . . . . 18 . N . 18 . HN parsed_1f3y 1
5 . . . . . . . . . . . . . . . . -2.2385 . . . . . 19 . N . 19 . HN parsed_1f3y 1
6 . . . . . . . . . . . . . . . . 3.3275 . . . . . 20 . N . 20 . HN parsed_1f3y 1
7 . . . . . . . . . . . . . . . . -7.3205 . . . . . 21 . N . 21 . HN parsed_1f3y 1
8 . . . . . . . . . . . . . . . . 1.694 . . . . . 22 . N . 22 . HN parsed_1f3y 1
9 . . . . . . . . . . . . . . . . 1.7545 . . . . . 24 . N . 24 . HN parsed_1f3y 1
10 . . . . . . . . . . . . . . . . 5.9895 . . . . . 25 . N . 25 . HN parsed_1f3y 1
11 . . . . . . . . . . . . . . . . -2.2385 . . . . . 26 . N . 26 . HN parsed_1f3y 1
12 . . . . . . . . . . . . . . . . -0.3025 . . . . . 28 . N . 28 . HN parsed_1f3y 1
13 . . . . . . . . . . . . . . . . 2.7225 . . . . . 29 . N . 29 . HN parsed_1f3y 1
14 . . . . . . . . . . . . . . . . 1.936 . . . . . 30 . N . 30 . HN parsed_1f3y 1
15 . . . . . . . . . . . . . . . . -0.363 . . . . . 31 . N . 31 . HN parsed_1f3y 1
16 . . . . . . . . . . . . . . . . -3.872 . . . . . 33 . N . 33 . HN parsed_1f3y 1
17 . . . . . . . . . . . . . . . . 0.121 . . . . . 34 . N . 34 . HN parsed_1f3y 1
18 . . . . . . . . . . . . . . . . 6.3525 . . . . . 39 . N . 39 . HN parsed_1f3y 1
19 . . . . . . . . . . . . . . . . -2.2385 . . . . . 40 . N . 40 . HN parsed_1f3y 1
20 . . . . . . . . . . . . . . . . -4.6585 . . . . . 41 . N . 41 . HN parsed_1f3y 1
21 . . . . . . . . . . . . . . . . 5.687 . . . . . 44 . N . 44 . HN parsed_1f3y 1
22 . . . . . . . . . . . . . . . . 3.8115 . . . . . 45 . N . 45 . HN parsed_1f3y 1
23 . . . . . . . . . . . . . . . . 3.993 . . . . . 46 . N . 46 . HN parsed_1f3y 1
24 . . . . . . . . . . . . . . . . -10.527 . . . . . 48 . N . 48 . HN parsed_1f3y 1
25 . . . . . . . . . . . . . . . . 2.3595 . . . . . 49 . N . 49 . HN parsed_1f3y 1
26 . . . . . . . . . . . . . . . . -13.915 . . . . . 51 . N . 51 . HN parsed_1f3y 1
27 . . . . . . . . . . . . . . . . -10.3455 . . . . . 52 . N . 52 . HN parsed_1f3y 1
28 . . . . . . . . . . . . . . . . 7.623 . . . . . 54 . N . 54 . HN parsed_1f3y 1
29 . . . . . . . . . . . . . . . . 3.9325 . . . . . 55 . N . 55 . HN parsed_1f3y 1
30 . . . . . . . . . . . . . . . . 6.2315 . . . . . 56 . N . 56 . HN parsed_1f3y 1
31 . . . . . . . . . . . . . . . . 6.8365 . . . . . 58 . N . 58 . HN parsed_1f3y 1
32 . . . . . . . . . . . . . . . . 5.2635 . . . . . 59 . N . 59 . HN parsed_1f3y 1
33 . . . . . . . . . . . . . . . . 6.776 . . . . . 60 . N . 60 . HN parsed_1f3y 1
34 . . . . . . . . . . . . . . . . 5.9895 . . . . . 61 . N . 61 . HN parsed_1f3y 1
35 . . . . . . . . . . . . . . . . 9.0145 . . . . . 62 . N . 62 . HN parsed_1f3y 1
36 . . . . . . . . . . . . . . . . 5.687 . . . . . 63 . N . 63 . HN parsed_1f3y 1
37 . . . . . . . . . . . . . . . . 3.872 . . . . . 64 . N . 64 . HN parsed_1f3y 1
38 . . . . . . . . . . . . . . . . 2.057 . . . . . 65 . N . 65 . HN parsed_1f3y 1
39 . . . . . . . . . . . . . . . . 4.477 . . . . . 66 . N . 66 . HN parsed_1f3y 1
40 . . . . . . . . . . . . . . . . -16.819 . . . . . 67 . N . 67 . HN parsed_1f3y 1
41 . . . . . . . . . . . . . . . . 5.203 . . . . . 68 . N . 68 . HN parsed_1f3y 1
42 . . . . . . . . . . . . . . . . 5.2635 . . . . . 69 . N . 69 . HN parsed_1f3y 1
43 . . . . . . . . . . . . . . . . 9.2565 . . . . . 70 . N . 70 . HN parsed_1f3y 1
44 . . . . . . . . . . . . . . . . -0.0 . . . . . 72 . N . 72 . HN parsed_1f3y 1
45 . . . . . . . . . . . . . . . . -7.865 . . . . . 73 . N . 73 . HN parsed_1f3y 1
46 . . . . . . . . . . . . . . . . 4.719 . . . . . 74 . N . 74 . HN parsed_1f3y 1
47 . . . . . . . . . . . . . . . . 5.3845 . . . . . 75 . N . 75 . HN parsed_1f3y 1
48 . . . . . . . . . . . . . . . . 4.719 . . . . . 76 . N . 76 . HN parsed_1f3y 1
49 . . . . . . . . . . . . . . . . 7.3205 . . . . . 78 . N . 78 . HN parsed_1f3y 1
50 . . . . . . . . . . . . . . . . 1.6335 . . . . . 79 . N . 79 . HN parsed_1f3y 1
51 . . . . . . . . . . . . . . . . 3.0855 . . . . . 81 . N . 81 . HN parsed_1f3y 1
52 . . . . . . . . . . . . . . . . -7.0785 . . . . . 101 . N . 101 . HN parsed_1f3y 1
53 . . . . . . . . . . . . . . . . 1.0285 . . . . . 102 . N . 102 . HN parsed_1f3y 1
54 . . . . . . . . . . . . . . . . 9.8615 . . . . . 104 . N . 104 . HN parsed_1f3y 1
55 . . . . . . . . . . . . . . . . -3.388 . . . . . 105 . N . 105 . HN parsed_1f3y 1
56 . . . . . . . . . . . . . . . . 8.0465 . . . . . 106 . N . 106 . HN parsed_1f3y 1
57 . . . . . . . . . . . . . . . . 1.573 . . . . . 107 . N . 107 . HN parsed_1f3y 1
58 . . . . . . . . . . . . . . . . 3.5695 . . . . . 109 . N . 109 . HN parsed_1f3y 1
59 . . . . . . . . . . . . . . . . -5.0215 . . . . . 110 . N . 110 . HN parsed_1f3y 1
60 . . . . . . . . . . . . . . . . 3.0855 . . . . . 111 . N . 111 . HN parsed_1f3y 1
61 . . . . . . . . . . . . . . . . 1.573 . . . . . 112 . N . 112 . HN parsed_1f3y 1
62 . . . . . . . . . . . . . . . . 9.3775 . . . . . 115 . N . 115 . HN parsed_1f3y 1
63 . . . . . . . . . . . . . . . . 8.954 . . . . . 116 . N . 116 . HN parsed_1f3y 1
64 . . . . . . . . . . . . . . . . 6.292 . . . . . 120 . N . 120 . HN parsed_1f3y 1
65 . . . . . . . . . . . . . . . . 0.363 . . . . . 128 . N . 128 . HN parsed_1f3y 1
66 . . . . . . . . . . . . . . . . -12.4025 . . . . . 131 . N . 131 . HN parsed_1f3y 1
67 . . . . . . . . . . . . . . . . -6.413 . . . . . 132 . N . 132 . HN parsed_1f3y 1
68 . . . . . . . . . . . . . . . . -3.993 . . . . . 133 . N . 133 . HN parsed_1f3y 1
69 . . . . . . . . . . . . . . . . -2.3595 . . . . . 134 . N . 134 . HN parsed_1f3y 1
70 . . . . . . . . . . . . . . . . 4.6585 . . . . . 135 . N . 135 . HN parsed_1f3y 1
71 . . . . . . . . . . . . . . . . 7.3205 . . . . . 136 . N . 136 . HN parsed_1f3y 1
72 . . . . . . . . . . . . . . . . 12.342 . . . . . 137 . N . 137 . HN parsed_1f3y 1
73 . . . . . . . . . . . . . . . . 0.121 . . . . . 138 . N . 138 . HN parsed_1f3y 1
74 . . . . . . . . . . . . . . . . -6.4735 . . . . . 140 . N . 140 . HN parsed_1f3y 1
75 . . . . . . . . . . . . . . . . -9.3775 . . . . . 142 . N . 142 . HN parsed_1f3y 1
76 . . . . . . . . . . . . . . . . -3.8115 . . . . . 143 . N . 143 . HN parsed_1f3y 1
77 . . . . . . . . . . . . . . . . -10.1035 . . . . . 145 . N . 145 . HN parsed_1f3y 1
78 . . . . . . . . . . . . . . . . 4.5375 . . . . . 146 . N . 146 . HN parsed_1f3y 1
79 . . . . . . . . . . . . . . . . -2.1175 . . . . . 147 . N . 147 . HN parsed_1f3y 1
80 . . . . . . . . . . . . . . . . -0.0 . . . . . 148 . N . 148 . HN parsed_1f3y 1
81 . . . . . . . . . . . . . . . . 3.146 . . . . . 149 . N . 149 . HN parsed_1f3y 1
82 . . . . . . . . . . . . . . . . -11.3135 . . . . . 151 . N . 151 . HN parsed_1f3y 1
83 . . . . . . . . . . . . . . . . 0.847 . . . . . 153 . N . 153 . HN parsed_1f3y 1
84 . . . . . . . . . . . . . . . . -1.3915 . . . . . 154 . N . 154 . HN parsed_1f3y 1
85 . . . . . . . . . . . . . . . . -2.1175 . . . . . 156 . N . 156 . HN parsed_1f3y 1
86 . . . . . . . . . . . . . . . . -3.993 . . . . . 157 . N . 157 . HN parsed_1f3y 1
87 . . . . . . . . . . . . . . . . -7.9255 . . . . . 158 . N . 158 . HN parsed_1f3y 1
88 . . . . . . . . . . . . . . . . -7.8045 . . . . . 159 . N . 159 . HN parsed_1f3y 1
89 . . . . . . . . . . . . . . . . -2.299 . . . . . 160 . N . 160 . HN parsed_1f3y 1
90 . . . . . . . . . . . . . . . . -7.139 . . . . . 161 . N . 161 . HN parsed_1f3y 1
91 . . . . . . . . . . . . . . . . -5.0215 . . . . . 165 . N . 165 . HN parsed_1f3y 1
92 . . . . . . . . . . . . . . . . 3.65 . . . . . 40 . NE1 . 40 . HE1 parsed_1f3y 1
93 . . . . . . . . . . . . . . . . -3.77 . . . . . 79 . NE1 . 79 . HE1 parsed_1f3y 1
94 . . . . . . . . . . . . . . . . -4.01 . . . . . 134 . NE1 . 134 . HE1 parsed_1f3y 1
stop_
save_
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