NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
51495 |
2k7h   |
cing | 2-parsed | STAR | dipolar coupling | 109 |
data_2k7h_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k7h
_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_2k7h 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k7h
_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 2k7h "Master copy" parsed_2k7h
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k7h
_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 2k7h.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k7h 1
1 2k7h.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 48 parsed_2k7h 1
1 2k7h.mr . . XPLOR/CNS 3 distance NOE simple 2464 parsed_2k7h 1
1 2k7h.mr . . XPLOR/CNS 4 distance NOE ambi 17 parsed_2k7h 1
1 2k7h.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 292 parsed_2k7h 1
1 2k7h.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 109 parsed_2k7h 1
1 2k7h.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k7h 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k7h
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . -3.85 . . . . . 2 . N . 2 . HN parsed_2k7h 1
2 . . . . . . . . . . . . . . . . -5.90 . . . . . 3 . N . 3 . HN parsed_2k7h 1
3 . . . . . . . . . . . . . . . . -1.32 . . . . . 4 . N . 4 . HN parsed_2k7h 1
4 . . . . . . . . . . . . . . . . -6.91 . . . . . 7 . N . 7 . HN parsed_2k7h 1
5 . . . . . . . . . . . . . . . . -0.95 . . . . . 10 . N . 10 . HN parsed_2k7h 1
6 . . . . . . . . . . . . . . . . 4.30 . . . . . 14 . N . 14 . HN parsed_2k7h 1
7 . . . . . . . . . . . . . . . . -7.22 . . . . . 17 . N . 17 . HN parsed_2k7h 1
8 . . . . . . . . . . . . . . . . -6.53 . . . . . 18 . N . 18 . HN parsed_2k7h 1
9 . . . . . . . . . . . . . . . . 2.37 . . . . . 19 . N . 19 . HN parsed_2k7h 1
10 . . . . . . . . . . . . . . . . 3.36 . . . . . 20 . N . 20 . HN parsed_2k7h 1
11 . . . . . . . . . . . . . . . . -4.20 . . . . . 21 . N . 21 . HN parsed_2k7h 1
12 . . . . . . . . . . . . . . . . -1.48 . . . . . 22 . N . 22 . HN parsed_2k7h 1
13 . . . . . . . . . . . . . . . . -5.31 . . . . . 24 . N . 24 . HN parsed_2k7h 1
14 . . . . . . . . . . . . . . . . -8.88 . . . . . 25 . N . 25 . HN parsed_2k7h 1
15 . . . . . . . . . . . . . . . . -7.50 . . . . . 26 . N . 26 . HN parsed_2k7h 1
16 . . . . . . . . . . . . . . . . -6.95 . . . . . 27 . N . 27 . HN parsed_2k7h 1
17 . . . . . . . . . . . . . . . . -7.40 . . . . . 28 . N . 28 . HN parsed_2k7h 1
18 . . . . . . . . . . . . . . . . -6.08 . . . . . 29 . N . 29 . HN parsed_2k7h 1
19 . . . . . . . . . . . . . . . . -8.31 . . . . . 32 . N . 32 . HN parsed_2k7h 1
20 . . . . . . . . . . . . . . . . -8.29 . . . . . 34 . N . 34 . HN parsed_2k7h 1
21 . . . . . . . . . . . . . . . . -6.39 . . . . . 35 . N . 35 . HN parsed_2k7h 1
22 . . . . . . . . . . . . . . . . -2.05 . . . . . 36 . N . 36 . HN parsed_2k7h 1
23 . . . . . . . . . . . . . . . . 8.11 . . . . . 37 . N . 37 . HN parsed_2k7h 1
24 . . . . . . . . . . . . . . . . 5.47 . . . . . 38 . N . 38 . HN parsed_2k7h 1
25 . . . . . . . . . . . . . . . . 3.47 . . . . . 39 . N . 39 . HN parsed_2k7h 1
26 . . . . . . . . . . . . . . . . 6.08 . . . . . 40 . N . 40 . HN parsed_2k7h 1
27 . . . . . . . . . . . . . . . . 5.68 . . . . . 41 . N . 41 . HN parsed_2k7h 1
28 . . . . . . . . . . . . . . . . -8.98 . . . . . 43 . N . 43 . HN parsed_2k7h 1
29 . . . . . . . . . . . . . . . . -4.79 . . . . . 44 . N . 44 . HN parsed_2k7h 1
30 . . . . . . . . . . . . . . . . -7.75 . . . . . 45 . N . 45 . HN parsed_2k7h 1
31 . . . . . . . . . . . . . . . . -7.49 . . . . . 46 . N . 46 . HN parsed_2k7h 1
32 . . . . . . . . . . . . . . . . 16.50 . . . . . 47 . N . 47 . HN parsed_2k7h 1
33 . . . . . . . . . . . . . . . . -7.50 . . . . . 48 . N . 48 . HN parsed_2k7h 1
34 . . . . . . . . . . . . . . . . -9.04 . . . . . 50 . N . 50 . HN parsed_2k7h 1
35 . . . . . . . . . . . . . . . . 5.84 . . . . . 51 . N . 51 . HN parsed_2k7h 1
36 . . . . . . . . . . . . . . . . -8.35 . . . . . 52 . N . 52 . HN parsed_2k7h 1
37 . . . . . . . . . . . . . . . . -6.06 . . . . . 53 . N . 53 . HN parsed_2k7h 1
38 . . . . . . . . . . . . . . . . 2.68 . . . . . 54 . N . 54 . HN parsed_2k7h 1
39 . . . . . . . . . . . . . . . . 8.53 . . . . . 55 . N . 55 . HN parsed_2k7h 1
40 . . . . . . . . . . . . . . . . 7.76 . . . . . 60 . N . 60 . HN parsed_2k7h 1
41 . . . . . . . . . . . . . . . . 14.11 . . . . . 64 . N . 64 . HN parsed_2k7h 1
42 . . . . . . . . . . . . . . . . 15.41 . . . . . 65 . N . 65 . HN parsed_2k7h 1
43 . . . . . . . . . . . . . . . . 11.96 . . . . . 66 . N . 66 . HN parsed_2k7h 1
44 . . . . . . . . . . . . . . . . 8.39 . . . . . 67 . N . 67 . HN parsed_2k7h 1
45 . . . . . . . . . . . . . . . . -0.87 . . . . . 68 . N . 68 . HN parsed_2k7h 1
46 . . . . . . . . . . . . . . . . -4.50 . . . . . 69 . N . 69 . HN parsed_2k7h 1
47 . . . . . . . . . . . . . . . . -9.71 . . . . . 70 . N . 70 . HN parsed_2k7h 1
48 . . . . . . . . . . . . . . . . -7.87 . . . . . 71 . N . 71 . HN parsed_2k7h 1
49 . . . . . . . . . . . . . . . . -9.00 . . . . . 72 . N . 72 . HN parsed_2k7h 1
50 . . . . . . . . . . . . . . . . -9.24 . . . . . 73 . N . 73 . HN parsed_2k7h 1
51 . . . . . . . . . . . . . . . . -8.29 . . . . . 74 . N . 74 . HN parsed_2k7h 1
52 . . . . . . . . . . . . . . . . -9.37 . . . . . 75 . N . 75 . HN parsed_2k7h 1
53 . . . . . . . . . . . . . . . . 1.12 . . . . . 77 . N . 77 . HN parsed_2k7h 1
54 . . . . . . . . . . . . . . . . -2.29 . . . . . 78 . N . 78 . HN parsed_2k7h 1
55 . . . . . . . . . . . . . . . . -6.41 . . . . . 80 . N . 80 . HN parsed_2k7h 1
56 . . . . . . . . . . . . . . . . -6.91 . . . . . 81 . N . 81 . HN parsed_2k7h 1
57 . . . . . . . . . . . . . . . . -7.36 . . . . . 82 . N . 82 . HN parsed_2k7h 1
58 . . . . . . . . . . . . . . . . -7.28 . . . . . 83 . N . 83 . HN parsed_2k7h 1
59 . . . . . . . . . . . . . . . . -4.70 . . . . . 84 . N . 84 . HN parsed_2k7h 1
60 . . . . . . . . . . . . . . . . 9.22 . . . . . 85 . N . 85 . HN parsed_2k7h 1
61 . . . . . . . . . . . . . . . . 7.76 . . . . . 86 . N . 86 . HN parsed_2k7h 1
62 . . . . . . . . . . . . . . . . 10.99 . . . . . 87 . N . 87 . HN parsed_2k7h 1
63 . . . . . . . . . . . . . . . . -7.95 . . . . . 90 . N . 90 . HN parsed_2k7h 1
64 . . . . . . . . . . . . . . . . -9.41 . . . . . 92 . N . 92 . HN parsed_2k7h 1
65 . . . . . . . . . . . . . . . . -2.80 . . . . . 93 . N . 93 . HN parsed_2k7h 1
66 . . . . . . . . . . . . . . . . -6.00 . . . . . 94 . N . 94 . HN parsed_2k7h 1
67 . . . . . . . . . . . . . . . . -5.31 . . . . . 96 . N . 96 . HN parsed_2k7h 1
68 . . . . . . . . . . . . . . . . -3.79 . . . . . 97 . N . 97 . HN parsed_2k7h 1
69 . . . . . . . . . . . . . . . . 1.14 . . . . . 98 . N . 98 . HN parsed_2k7h 1
70 . . . . . . . . . . . . . . . . -7.91 . . . . . 99 . N . 99 . HN parsed_2k7h 1
71 . . . . . . . . . . . . . . . . -1.50 . . . . . 100 . N . 100 . HN parsed_2k7h 1
72 . . . . . . . . . . . . . . . . -8.90 . . . . . 101 . N . 101 . HN parsed_2k7h 1
73 . . . . . . . . . . . . . . . . -6.29 . . . . . 102 . N . 102 . HN parsed_2k7h 1
74 . . . . . . . . . . . . . . . . -8.49 . . . . . 103 . N . 103 . HN parsed_2k7h 1
75 . . . . . . . . . . . . . . . . -5.21 . . . . . 104 . N . 104 . HN parsed_2k7h 1
76 . . . . . . . . . . . . . . . . -6.83 . . . . . 105 . N . 105 . HN parsed_2k7h 1
77 . . . . . . . . . . . . . . . . -4.52 . . . . . 106 . N . 106 . HN parsed_2k7h 1
78 . . . . . . . . . . . . . . . . -5.11 . . . . . 109 . N . 109 . HN parsed_2k7h 1
79 . . . . . . . . . . . . . . . . -1.54 . . . . . 110 . N . 110 . HN parsed_2k7h 1
80 . . . . . . . . . . . . . . . . -6.49 . . . . . 111 . N . 111 . HN parsed_2k7h 1
81 . . . . . . . . . . . . . . . . -4.16 . . . . . 112 . N . 112 . HN parsed_2k7h 1
82 . . . . . . . . . . . . . . . . -8.39 . . . . . 115 . N . 115 . HN parsed_2k7h 1
83 . . . . . . . . . . . . . . . . -2.49 . . . . . 116 . N . 116 . HN parsed_2k7h 1
84 . . . . . . . . . . . . . . . . -7.40 . . . . . 117 . N . 117 . HN parsed_2k7h 1
85 . . . . . . . . . . . . . . . . -0.24 . . . . . 118 . N . 118 . HN parsed_2k7h 1
86 . . . . . . . . . . . . . . . . -7.72 . . . . . 119 . N . 119 . HN parsed_2k7h 1
87 . . . . . . . . . . . . . . . . 0.10 . . . . . 120 . N . 120 . HN parsed_2k7h 1
88 . . . . . . . . . . . . . . . . -7.36 . . . . . 121 . N . 121 . HN parsed_2k7h 1
89 . . . . . . . . . . . . . . . . 13.95 . . . . . 130 . N . 130 . HN parsed_2k7h 1
90 . . . . . . . . . . . . . . . . 5.15 . . . . . 132 . N . 132 . HN parsed_2k7h 1
91 . . . . . . . . . . . . . . . . 9.89 . . . . . 133 . N . 133 . HN parsed_2k7h 1
92 . . . . . . . . . . . . . . . . 14.82 . . . . . 134 . N . 134 . HN parsed_2k7h 1
93 . . . . . . . . . . . . . . . . 7.10 . . . . . 135 . N . 135 . HN parsed_2k7h 1
94 . . . . . . . . . . . . . . . . 4.44 . . . . . 136 . N . 136 . HN parsed_2k7h 1
95 . . . . . . . . . . . . . . . . 14.01 . . . . . 137 . N . 137 . HN parsed_2k7h 1
96 . . . . . . . . . . . . . . . . 11.62 . . . . . 138 . N . 138 . HN parsed_2k7h 1
97 . . . . . . . . . . . . . . . . 7.68 . . . . . 139 . N . 139 . HN parsed_2k7h 1
98 . . . . . . . . . . . . . . . . 11.74 . . . . . 140 . N . 140 . HN parsed_2k7h 1
99 . . . . . . . . . . . . . . . . 16.26 . . . . . 141 . N . 141 . HN parsed_2k7h 1
100 . . . . . . . . . . . . . . . . 13.99 . . . . . 143 . N . 143 . HN parsed_2k7h 1
101 . . . . . . . . . . . . . . . . 15.57 . . . . . 144 . N . 144 . HN parsed_2k7h 1
102 . . . . . . . . . . . . . . . . 17.21 . . . . . 148 . N . 148 . HN parsed_2k7h 1
103 . . . . . . . . . . . . . . . . 10.52 . . . . . 149 . N . 149 . HN parsed_2k7h 1
104 . . . . . . . . . . . . . . . . 13.97 . . . . . 150 . N . 150 . HN parsed_2k7h 1
105 . . . . . . . . . . . . . . . . 17.94 . . . . . 151 . N . 151 . HN parsed_2k7h 1
106 . . . . . . . . . . . . . . . . 11.47 . . . . . 152 . N . 152 . HN parsed_2k7h 1
107 . . . . . . . . . . . . . . . . 3.55 . . . . . 153 . N . 153 . HN parsed_2k7h 1
108 . . . . . . . . . . . . . . . . -4.56 . . . . . 155 . N . 155 . HN parsed_2k7h 1
109 . . . . . . . . . . . . . . . . -4.62 . . . . . 156 . N . 156 . HN parsed_2k7h 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 113 and name N ) (resid 113 and name HN ) -6.99 0.30
assign (resid 500 and name OO ) (resid 500 and name Z )
(resid 500 and name Y ) (resid 500 and name X )
(resid 114 and name N ) (resid 114 and name HN ) -4.11 0.31
;
244 1 249 76 parsed_2k7h 1
stop_
save_
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