NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
589314 |
2mui   |
6644 | cing | 2-parsed | STAR | dipolar coupling | 84 |
data_2mui_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mui
_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_2mui 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mui
_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 2mui "Master copy" parsed_2mui
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mui
_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 2mui.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mui 1
1 2mui.mr . . XPLOR/CNS 2 distance NOE simple 2610 parsed_2mui 1
1 2mui.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 152 parsed_2mui 1
1 2mui.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 154 parsed_2mui 1
1 2mui.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 84 parsed_2mui 1
1 2mui.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mui 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mui
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -18.2730 . . . . . 10 . N . 10 . HN parsed_2mui 1
2 . . . . . . . . . . . . . . . . -7.9510 . . . . . 13 . N . 13 . HN parsed_2mui 1
3 . . . . . . . . . . . . . . . . -7.7700 . . . . . 14 . N . 14 . HN parsed_2mui 1
4 . . . . . . . . . . . . . . . . -21.4770 . . . . . 15 . N . 15 . HN parsed_2mui 1
5 . . . . . . . . . . . . . . . . -1.1170 . . . . . 17 . N . 17 . HN parsed_2mui 1
6 . . . . . . . . . . . . . . . . 7.7770 . . . . . 20 . N . 20 . HN parsed_2mui 1
7 . . . . . . . . . . . . . . . . 0.8090 . . . . . 24 . N . 24 . HN parsed_2mui 1
8 . . . . . . . . . . . . . . . . -1.3520 . . . . . 26 . N . 26 . HN parsed_2mui 1
9 . . . . . . . . . . . . . . . . -3.8340 . . . . . 27 . N . 27 . HN parsed_2mui 1
10 . . . . . . . . . . . . . . . . 2.3690 . . . . . 28 . N . 28 . HN parsed_2mui 1
11 . . . . . . . . . . . . . . . . -7.0410 . . . . . 30 . N . 30 . HN parsed_2mui 1
12 . . . . . . . . . . . . . . . . -16.5120 . . . . . 31 . N . 31 . HN parsed_2mui 1
13 . . . . . . . . . . . . . . . . -2.7540 . . . . . 32 . N . 32 . HN parsed_2mui 1
14 . . . . . . . . . . . . . . . . -0.1040 . . . . . 33 . N . 33 . HN parsed_2mui 1
15 . . . . . . . . . . . . . . . . 3.9570 . . . . . 35 . N . 35 . HN parsed_2mui 1
16 . . . . . . . . . . . . . . . . -6.1740 . . . . . 36 . N . 36 . HN parsed_2mui 1
17 . . . . . . . . . . . . . . . . 2.4940 . . . . . 37 . N . 37 . HN parsed_2mui 1
18 . . . . . . . . . . . . . . . . -11.5840 . . . . . 39 . N . 39 . HN parsed_2mui 1
19 . . . . . . . . . . . . . . . . -8.2500 . . . . . 41 . N . 41 . HN parsed_2mui 1
20 . . . . . . . . . . . . . . . . -1.5310 . . . . . 42 . N . 42 . HN parsed_2mui 1
21 . . . . . . . . . . . . . . . . -2.1410 . . . . . 44 . N . 44 . HN parsed_2mui 1
22 . . . . . . . . . . . . . . . . -5.3570 . . . . . 45 . N . 45 . HN parsed_2mui 1
23 . . . . . . . . . . . . . . . . 1.8790 . . . . . 47 . N . 47 . HN parsed_2mui 1
24 . . . . . . . . . . . . . . . . 12.8980 . . . . . 49 . N . 49 . HN parsed_2mui 1
25 . . . . . . . . . . . . . . . . -18.9470 . . . . . 51 . N . 51 . HN parsed_2mui 1
26 . . . . . . . . . . . . . . . . 3.6780 . . . . . 55 . N . 55 . HN parsed_2mui 1
27 . . . . . . . . . . . . . . . . 2.5210 . . . . . 56 . N . 56 . HN parsed_2mui 1
28 . . . . . . . . . . . . . . . . 3.5960 . . . . . 57 . N . 57 . HN parsed_2mui 1
29 . . . . . . . . . . . . . . . . 1.5900 . . . . . 70 . N . 70 . HN parsed_2mui 1
30 . . . . . . . . . . . . . . . . -7.9410 . . . . . 73 . N . 73 . HN parsed_2mui 1
31 . . . . . . . . . . . . . . . . -4.7600 . . . . . 74 . N . 74 . HN parsed_2mui 1
32 . . . . . . . . . . . . . . . . 6.1410 . . . . . 76 . N . 76 . HN parsed_2mui 1
33 . . . . . . . . . . . . . . . . -22.4790 . . . . . 79 . N . 79 . HN parsed_2mui 1
34 . . . . . . . . . . . . . . . . 10.1520 . . . . . 82 . N . 82 . HN parsed_2mui 1
35 . . . . . . . . . . . . . . . . 12.8360 . . . . . 83 . N . 83 . HN parsed_2mui 1
36 . . . . . . . . . . . . . . . . 9.8930 . . . . . 85 . N . 85 . HN parsed_2mui 1
37 . . . . . . . . . . . . . . . . 9.4410 . . . . . 86 . N . 86 . HN parsed_2mui 1
38 . . . . . . . . . . . . . . . . -9.0960 . . . . . 89 . N . 89 . HN parsed_2mui 1
39 . . . . . . . . . . . . . . . . -11.3900 . . . . . 90 . N . 90 . HN parsed_2mui 1
40 . . . . . . . . . . . . . . . . -23.2420 . . . . . 97 . N . 97 . HN parsed_2mui 1
41 . . . . . . . . . . . . . . . . -15.5100 . . . . . 98 . N . 98 . HN parsed_2mui 1
42 . . . . . . . . . . . . . . . . 2.4730 . . . . . 99 . N . 99 . HN parsed_2mui 1
43 . . . . . . . . . . . . . . . . -9.6450 . . . . . 100 . N . 100 . HN parsed_2mui 1
44 . . . . . . . . . . . . . . . . -0.1370 . . . . . 101 . N . 101 . HN parsed_2mui 1
45 . . . . . . . . . . . . . . . . -8.1430 . . . . . 102 . N . 102 . HN parsed_2mui 1
46 . . . . . . . . . . . . . . . . -14.3480 . . . . . 106 . N . 106 . HN parsed_2mui 1
47 . . . . . . . . . . . . . . . . -9.7750 . . . . . 107 . N . 107 . HN parsed_2mui 1
48 . . . . . . . . . . . . . . . . -1.6310 . . . . . 108 . N . 108 . HN parsed_2mui 1
49 . . . . . . . . . . . . . . . . -4.3850 . . . . . 109 . N . 109 . HN parsed_2mui 1
50 . . . . . . . . . . . . . . . . -2.5700 . . . . . 110 . N . 110 . HN parsed_2mui 1
51 . . . . . . . . . . . . . . . . -9.6290 . . . . . 112 . N . 112 . HN parsed_2mui 1
52 . . . . . . . . . . . . . . . . 3.1800 . . . . . 114 . N . 114 . HN parsed_2mui 1
53 . . . . . . . . . . . . . . . . -4.0840 . . . . . 116 . N . 116 . HN parsed_2mui 1
54 . . . . . . . . . . . . . . . . 5.9380 . . . . . 117 . N . 117 . HN parsed_2mui 1
55 . . . . . . . . . . . . . . . . -10.0680 . . . . . 119 . N . 119 . HN parsed_2mui 1
56 . . . . . . . . . . . . . . . . 14.0800 . . . . . 120 . N . 120 . HN parsed_2mui 1
57 . . . . . . . . . . . . . . . . 1.2190 . . . . . 121 . N . 121 . HN parsed_2mui 1
58 . . . . . . . . . . . . . . . . -7.8220 . . . . . 127 . N . 127 . HN parsed_2mui 1
59 . . . . . . . . . . . . . . . . -7.4450 . . . . . 128 . N . 128 . HN parsed_2mui 1
60 . . . . . . . . . . . . . . . . -2.6130 . . . . . 129 . N . 129 . HN parsed_2mui 1
61 . . . . . . . . . . . . . . . . 3.9650 . . . . . 132 . N . 132 . HN parsed_2mui 1
62 . . . . . . . . . . . . . . . . -2.0630 . . . . . 134 . N . 134 . HN parsed_2mui 1
63 . . . . . . . . . . . . . . . . 12.9550 . . . . . 135 . N . 135 . HN parsed_2mui 1
64 . . . . . . . . . . . . . . . . 4.7230 . . . . . 137 . N . 137 . HN parsed_2mui 1
65 . . . . . . . . . . . . . . . . 11.2640 . . . . . 138 . N . 138 . HN parsed_2mui 1
66 . . . . . . . . . . . . . . . . 11.4780 . . . . . 139 . N . 139 . HN parsed_2mui 1
67 . . . . . . . . . . . . . . . . 12.5550 . . . . . 140 . N . 140 . HN parsed_2mui 1
68 . . . . . . . . . . . . . . . . 10.4820 . . . . . 141 . N . 141 . HN parsed_2mui 1
69 . . . . . . . . . . . . . . . . 6.0180 . . . . . 142 . N . 142 . HN parsed_2mui 1
70 . . . . . . . . . . . . . . . . 15.5450 . . . . . 143 . N . 143 . HN parsed_2mui 1
71 . . . . . . . . . . . . . . . . -3.3110 . . . . . 147 . N . 147 . HN parsed_2mui 1
72 . . . . . . . . . . . . . . . . -20.6800 . . . . . 149 . N . 149 . HN parsed_2mui 1
73 . . . . . . . . . . . . . . . . -20.6290 . . . . . 150 . N . 150 . HN parsed_2mui 1
74 . . . . . . . . . . . . . . . . -8.9940 . . . . . 151 . N . 151 . HN parsed_2mui 1
75 . . . . . . . . . . . . . . . . -5.1640 . . . . . 152 . N . 152 . HN parsed_2mui 1
76 . . . . . . . . . . . . . . . . -1.4300 . . . . . 154 . N . 154 . HN parsed_2mui 1
77 . . . . . . . . . . . . . . . . -3.2830 . . . . . 155 . N . 155 . HN parsed_2mui 1
78 . . . . . . . . . . . . . . . . -16.0270 . . . . . 159 . N . 159 . HN parsed_2mui 1
79 . . . . . . . . . . . . . . . . -20.1070 . . . . . 160 . N . 160 . HN parsed_2mui 1
80 . . . . . . . . . . . . . . . . -25.8510 . . . . . 168 . N . 168 . HN parsed_2mui 1
81 . . . . . . . . . . . . . . . . -22.3700 . . . . . 169 . N . 169 . HN parsed_2mui 1
82 . . . . . . . . . . . . . . . . -16.0350 . . . . . 170 . N . 170 . HN parsed_2mui 1
83 . . . . . . . . . . . . . . . . -23.9590 . . . . . 171 . N . 171 . HN parsed_2mui 1
84 . . . . . . . . . . . . . . . . -10.5470 . . . . . 174 . N . 174 . HN parsed_2mui 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 "axial = -14.0 rhombicity = 0.5" 1 1 1 37 parsed_2mui 1
stop_
save_
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