NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
652050 |
6uf2   |
30676 | cing | 2-parsed | STAR | dipolar coupling | 113 |
data_6uf2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6uf2
_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_6uf2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6uf2
_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 6uf2 "Master copy" parsed_6uf2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6uf2
_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 6uf2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6uf2 1
1 6uf2.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 113 parsed_6uf2 1
1 6uf2.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6uf2 1
1 6uf2.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_6uf2 1
1 6uf2.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6uf2 1
1 6uf2.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6uf2 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6uf2
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 23.3 22.3 24.3 . . . 12 . HA . 12 . CA parsed_6uf2 1
2 . . . . . . . . . . . . . . . . -1.3 -2.3 -0.3 . . . 13 . HA . 13 . CA parsed_6uf2 1
3 . . . . . . . . . . . . . . . . -26.0 -27.0 -25.0 . . . 14 . HA . 14 . CA parsed_6uf2 1
4 . . . . . . . . . . . . . . . . -25.2 -26.2 -24.2 . . . 15 . HA . 15 . CA parsed_6uf2 1
5 . . . . . . . . . . . . . . . . 0.1 -0.9 1.1 . . . 16 . HA . 16 . CA parsed_6uf2 1
6 . . . . . . . . . . . . . . . . 10.1 9.1 11.1 . . . 17 . HA . 17 . CA parsed_6uf2 1
7 . . . . . . . . . . . . . . . . -44.1 -45.1 -43.1 . . . 28 . HA . 28 . CA parsed_6uf2 1
8 . . . . . . . . . . . . . . . . 28.9 27.9 29.9 . . . 32 . HA . 32 . CA parsed_6uf2 1
9 . . . . . . . . . . . . . . . . -22.1 -23.1 -21.1 . . . 33 . HA . 33 . CA parsed_6uf2 1
10 . . . . . . . . . . . . . . . . 7.7 6.7 8.7 . . . 34 . HA . 34 . CA parsed_6uf2 1
11 . . . . . . . . . . . . . . . . -50.0 -51.0 -49.0 . . . 37 . HA . 37 . CA parsed_6uf2 1
12 . . . . . . . . . . . . . . . . 6.6 5.6 7.6 . . . 39 . HA# . 39 . CA parsed_6uf2 1
13 . . . . . . . . . . . . . . . . 38.8 37.8 39.8 . . . 42 . HA . 42 . CA parsed_6uf2 1
14 . . . . . . . . . . . . . . . . 2.1 1.1 3.1 . . . 43 . HA . 43 . CA parsed_6uf2 1
15 . . . . . . . . . . . . . . . . 10.8 9.8 11.8 . . . 44 . HA# . 44 . CA parsed_6uf2 1
16 . . . . . . . . . . . . . . . . -2.0 -3.0 -1.0 . . . 45 . HA . 45 . CA parsed_6uf2 1
17 . . . . . . . . . . . . . . . . -30.3 -31.3 -29.3 . . . 46 . HA . 46 . CA parsed_6uf2 1
18 . . . . . . . . . . . . . . . . 0.2 -0.8 1.2 . . . 54 . HA . 54 . CA parsed_6uf2 1
19 . . . . . . . . . . . . . . . . -40.6 -41.6 -39.6 . . . 55 . HA . 55 . CA parsed_6uf2 1
20 . . . . . . . . . . . . . . . . -25.6 -26.6 -24.6 . . . 56 . HA . 56 . CA parsed_6uf2 1
21 . . . . . . . . . . . . . . . . 9.9 8.9 10.9 . . . 57 . HA . 57 . CA parsed_6uf2 1
22 . . . . . . . . . . . . . . . . -8.0 -9.0 -7.0 . . . 58 . HA . 58 . CA parsed_6uf2 1
23 . . . . . . . . . . . . . . . . -9.6 -10.6 -8.6 . . . 59 . HA . 59 . CA parsed_6uf2 1
24 . . . . . . . . . . . . . . . . -0.7 -1.7 0.3 . . . 70 . HA . 70 . CA parsed_6uf2 1
25 . . . . . . . . . . . . . . . . 32.9 31.9 33.9 . . . 71 . HA . 71 . CA parsed_6uf2 1
26 . . . . . . . . . . . . . . . . 28.3 27.3 29.3 . . . 72 . HA . 72 . CA parsed_6uf2 1
27 . . . . . . . . . . . . . . . . 6.5 5.5 7.5 . . . 73 . HA . 73 . CA parsed_6uf2 1
28 . . . . . . . . . . . . . . . . 23.1 22.1 24.1 . . . 74 . HA . 74 . CA parsed_6uf2 1
29 . . . . . . . . . . . . . . . . 3.9 2.9 4.9 . . . 75 . HA . 75 . CA parsed_6uf2 1
30 . . . . . . . . . . . . . . . . 3.9 2.9 4.9 . . . 83 . HA . 83 . CA parsed_6uf2 1
31 . . . . . . . . . . . . . . . . 4.6 3.6 5.6 . . . 84 . HA . 84 . CA parsed_6uf2 1
32 . . . . . . . . . . . . . . . . -2.7 -3.7 -1.7 . . . 85 . HA . 85 . CA parsed_6uf2 1
33 . . . . . . . . . . . . . . . . 38.5 37.5 39.5 . . . 86 . HA . 86 . CA parsed_6uf2 1
34 . . . . . . . . . . . . . . . . -8.2 -9.2 -7.2 . . . 87 . HA . 87 . CA parsed_6uf2 1
35 . . . . . . . . . . . . . . . . -2.5 -3.5 -1.5 . . . 90 . HA . 90 . CA parsed_6uf2 1
36 . . . . . . . . . . . . . . . . -9.8 -10.8 -8.8 . . . 91 . HA . 91 . CA parsed_6uf2 1
37 . . . . . . . . . . . . . . . . 38.3 37.3 39.3 . . . 92 . HA . 92 . CA parsed_6uf2 1
38 . . . . . . . . . . . . . . . . -71.5 -72.5 -70.5 . . . 93 . HA . 93 . CA parsed_6uf2 1
39 . . . . . . . . . . . . . . . . 28.5 27.5 29.5 . . . 94 . HA . 94 . CA parsed_6uf2 1
40 . . . . . . . . . . . . . . . . -14.4 -15.4 -13.4 . . . 95 . HA . 95 . CA parsed_6uf2 1
41 . . . . . . . . . . . . . . . . -13.4 -14.4 -12.4 . . . 96 . HA . 96 . CA parsed_6uf2 1
42 . . . . . . . . . . . . . . . . -46.4 -47.4 -45.4 . . . 97 . HA . 97 . CA parsed_6uf2 1
43 . . . . . . . . . . . . . . . . 28.0 27.0 29.0 . . . 98 . HA . 98 . CA parsed_6uf2 1
44 . . . . . . . . . . . . . . . . 20.0 19.0 21.0 . . . 99 . HA . 99 . CA parsed_6uf2 1
45 . . . . . . . . . . . . . . . . -71.2 -72.2 -70.2 . . . 100 . HA . 100 . CA parsed_6uf2 1
46 . . . . . . . . . . . . . . . . 29.6 28.6 30.6 . . . 101 . HA . 101 . CA parsed_6uf2 1
47 . . . . . . . . . . . . . . . . -14.4 -15.4 -13.4 . . . 102 . HA . 102 . CA parsed_6uf2 1
48 . . . . . . . . . . . . . . . . -36.4 -37.4 -35.4 . . . 104 . HA . 104 . CA parsed_6uf2 1
49 . . . . . . . . . . . . . . . . 29.3 28.3 30.3 . . . 105 . HA . 105 . CA parsed_6uf2 1
50 . . . . . . . . . . . . . . . . -12.3 -13.3 -11.3 . . . 106 . HA . 106 . CA parsed_6uf2 1
51 . . . . . . . . . . . . . . . . 12.1 11.1 13.1 . . . 107 . HA . 107 . CA parsed_6uf2 1
52 . . . . . . . . . . . . . . . . -11.2 -12.2 -10.2 . . . 115 . HA . 115 . CA parsed_6uf2 1
53 . . . . . . . . . . . . . . . . -29.3 -30.3 -28.3 . . . 116 . HA . 116 . CA parsed_6uf2 1
54 . . . . . . . . . . . . . . . . 32.3 31.3 33.3 . . . 117 . HA . 117 . CA parsed_6uf2 1
55 . . . . . . . . . . . . . . . . -82.3 -83.3 -81.3 . . . 118 . HA . 118 . CA parsed_6uf2 1
56 . . . . . . . . . . . . . . . . 35.2 34.2 36.2 . . . 119 . HA . 119 . CA parsed_6uf2 1
57 . . . . . . . . . . . . . . . . -31.8 -32.8 -30.8 . . . 120 . HA . 120 . CA parsed_6uf2 1
58 . . . . . . . . . . . . . . . . -3.1 -3.3 -2.9 . . . 12 . CA . 12 . C parsed_6uf2 1
59 . . . . . . . . . . . . . . . . 2.3 2.1 2.5 . . . 13 . CA . 13 . C parsed_6uf2 1
60 . . . . . . . . . . . . . . . . 1.9 1.7 2.1 . . . 14 . CA . 14 . C parsed_6uf2 1
61 . . . . . . . . . . . . . . . . 1.3 1.1 1.5 . . . 15 . CA . 15 . C parsed_6uf2 1
62 . . . . . . . . . . . . . . . . -1.4 -1.6 -1.2 . . . 16 . CA . 16 . C parsed_6uf2 1
63 . . . . . . . . . . . . . . . . 4.4 4.2 4.6 . . . 17 . CA . 17 . C parsed_6uf2 1
64 . . . . . . . . . . . . . . . . 1.4 1.2 1.6 . . . 28 . CA . 28 . C parsed_6uf2 1
65 . . . . . . . . . . . . . . . . 0.1 -0.1 0.3 . . . 32 . CA . 32 . C parsed_6uf2 1
66 . . . . . . . . . . . . . . . . -1.2 -1.4 -1.0 . . . 33 . CA . 33 . C parsed_6uf2 1
67 . . . . . . . . . . . . . . . . 3.7 3.5 3.9 . . . 37 . CA . 37 . C parsed_6uf2 1
68 . . . . . . . . . . . . . . . . -1.7 -1.9 -1.5 . . . 39 . CA . 39 . C parsed_6uf2 1
69 . . . . . . . . . . . . . . . . -5.7 -5.9 -5.5 . . . 42 . CA . 42 . C parsed_6uf2 1
70 . . . . . . . . . . . . . . . . 1.9 1.7 2.1 . . . 43 . CA . 43 . C parsed_6uf2 1
71 . . . . . . . . . . . . . . . . -5.7 -5.9 -5.5 . . . 44 . CA . 44 . C parsed_6uf2 1
72 . . . . . . . . . . . . . . . . 5.4 5.2 5.6 . . . 45 . CA . 45 . C parsed_6uf2 1
73 . . . . . . . . . . . . . . . . -2.3 -2.5 -2.1 . . . 46 . CA . 46 . C parsed_6uf2 1
74 . . . . . . . . . . . . . . . . -4.0 -4.2 -3.8 . . . 54 . CA . 54 . C parsed_6uf2 1
75 . . . . . . . . . . . . . . . . 1.0 0.8 1.2 . . . 55 . CA . 55 . C parsed_6uf2 1
76 . . . . . . . . . . . . . . . . -2.5 -2.7 -2.3 . . . 56 . CA . 56 . C parsed_6uf2 1
77 . . . . . . . . . . . . . . . . 0.3 0.1 0.5 . . . 57 . CA . 57 . C parsed_6uf2 1
78 . . . . . . . . . . . . . . . . -1.0 -1.2 -0.8 . . . 58 . CA . 58 . C parsed_6uf2 1
79 . . . . . . . . . . . . . . . . 1.2 1.0 1.4 . . . 59 . CA . 59 . C parsed_6uf2 1
80 . . . . . . . . . . . . . . . . -3.8 -4.0 -3.6 . . . 70 . CA . 70 . C parsed_6uf2 1
81 . . . . . . . . . . . . . . . . 0.7 0.5 0.9 . . . 71 . CA . 71 . C parsed_6uf2 1
82 . . . . . . . . . . . . . . . . -3.0 -3.2 -2.8 . . . 72 . CA . 72 . C parsed_6uf2 1
83 . . . . . . . . . . . . . . . . -0.9 -1.1 -0.7 . . . 73 . CA . 73 . C parsed_6uf2 1
84 . . . . . . . . . . . . . . . . -4.1 -4.3 -3.9 . . . 74 . CA . 74 . C parsed_6uf2 1
85 . . . . . . . . . . . . . . . . 0.6 0.4 0.8 . . . 75 . CA . 75 . C parsed_6uf2 1
86 . . . . . . . . . . . . . . . . 3.2 3.0 3.4 . . . 83 . CA . 83 . C parsed_6uf2 1
87 . . . . . . . . . . . . . . . . -5.7 -5.9 -5.5 . . . 84 . CA . 84 . C parsed_6uf2 1
88 . . . . . . . . . . . . . . . . 3.8 3.6 4.0 . . . 85 . CA . 85 . C parsed_6uf2 1
89 . . . . . . . . . . . . . . . . -5.8 -6.0 -5.6 . . . 86 . CA . 86 . C parsed_6uf2 1
90 . . . . . . . . . . . . . . . . 4.0 3.8 4.2 . . . 87 . CA . 87 . C parsed_6uf2 1
91 . . . . . . . . . . . . . . . . 3.9 3.7 4.1 . . . 90 . CA . 90 . C parsed_6uf2 1
92 . . . . . . . . . . . . . . . . -2.8 -3.0 -2.6 . . . 91 . CA . 91 . C parsed_6uf2 1
93 . . . . . . . . . . . . . . . . -0.3 -0.5 -0.1 . . . 92 . CA . 92 . C parsed_6uf2 1
94 . . . . . . . . . . . . . . . . 0.6 0.4 0.8 . . . 93 . CA . 93 . C parsed_6uf2 1
95 . . . . . . . . . . . . . . . . 2.1 1.9 2.3 . . . 94 . CA . 94 . C parsed_6uf2 1
96 . . . . . . . . . . . . . . . . -4.2 -4.4 -4.0 . . . 95 . CA . 95 . C parsed_6uf2 1
97 . . . . . . . . . . . . . . . . 0.4 0.2 0.6 . . . 96 . CA . 96 . C parsed_6uf2 1
98 . . . . . . . . . . . . . . . . 1.2 1.0 1.4 . . . 97 . CA . 97 . C parsed_6uf2 1
99 . . . . . . . . . . . . . . . . -2.2 -2.4 -2.0 . . . 98 . CA . 98 . C parsed_6uf2 1
100 . . . . . . . . . . . . . . . . 0.2 0.0 0.4 . . . 99 . CA . 99 . C parsed_6uf2 1
101 . . . . . . . . . . . . . . . . 0.2 0.0 0.4 . . . 100 . CA . 100 . C parsed_6uf2 1
102 . . . . . . . . . . . . . . . . 1.6 1.4 1.8 . . . 101 . CA . 101 . C parsed_6uf2 1
103 . . . . . . . . . . . . . . . . -4.4 -4.6 -4.2 . . . 102 . CA . 102 . C parsed_6uf2 1
104 . . . . . . . . . . . . . . . . 0.9 0.7 1.1 . . . 104 . CA . 104 . C parsed_6uf2 1
105 . . . . . . . . . . . . . . . . -0.8 -1.0 -0.6 . . . 105 . CA . 105 . C parsed_6uf2 1
106 . . . . . . . . . . . . . . . . -2.4 -2.6 -2.2 . . . 106 . CA . 106 . C parsed_6uf2 1
107 . . . . . . . . . . . . . . . . 3.4 3.2 3.6 . . . 107 . CA . 107 . C parsed_6uf2 1
108 . . . . . . . . . . . . . . . . 3.3 3.1 3.5 . . . 115 . CA . 115 . C parsed_6uf2 1
109 . . . . . . . . . . . . . . . . -2.5 -2.7 -2.3 . . . 116 . CA . 116 . C parsed_6uf2 1
110 . . . . . . . . . . . . . . . . 2.1 1.9 2.3 . . . 117 . CA . 117 . C parsed_6uf2 1
111 . . . . . . . . . . . . . . . . -1.0 -1.2 -0.8 . . . 118 . CA . 118 . C parsed_6uf2 1
112 . . . . . . . . . . . . . . . . 3.1 2.9 3.3 . . . 119 . CA . 119 . C parsed_6uf2 1
113 . . . . . . . . . . . . . . . . -2.9 -3.1 -2.7 . . . 120 . CA . 120 . C parsed_6uf2 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 1: DHACA_gel_noloop.tbl" 1 1 1 41 parsed_6uf2 1
2 "# Restraints file 2: DCACO_gel_noloop.tbl" 403 53 403 93 parsed_6uf2 1
stop_
save_
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