NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
515963 |
2azh   |
6362 | cing | 2-parsed | STAR | dipolar coupling | 89 |
data_2azh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2azh
_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_2azh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2azh
_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 2azh "Master copy" parsed_2azh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2azh
_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 2azh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2azh 1
1 2azh.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 197 parsed_2azh 1
1 2azh.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_2azh 1
1 2azh.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2azh 1
1 2azh.mr . . XPLOR/CNS 5 distance "general distance" simple 0 parsed_2azh 1
1 2azh.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2azh 1
1 2azh.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_2azh 1
1 2azh.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2azh 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2azh
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . -4.9800 . . . . . 8 . HN . 8 . N parsed_2azh 1
2 . . . . . . . . . . . . . . . . -2.3000 . . . . . 10 . HN . 10 . N parsed_2azh 1
3 . . . . . . . . . . . . . . . . -7.3700 . . . . . 14 . HN . 14 . N parsed_2azh 1
4 . . . . . . . . . . . . . . . . -1.6400 . . . . . 18 . HN . 18 . N parsed_2azh 1
5 . . . . . . . . . . . . . . . . -12.5200 . . . . . 19 . HN . 19 . N parsed_2azh 1
6 . . . . . . . . . . . . . . . . -8.4400 . . . . . 20 . HN . 20 . N parsed_2azh 1
7 . . . . . . . . . . . . . . . . 9.7300 . . . . . 24 . HN . 24 . N parsed_2azh 1
8 . . . . . . . . . . . . . . . . 10.3300 . . . . . 26 . HN . 26 . N parsed_2azh 1
9 . . . . . . . . . . . . . . . . 9.6600 . . . . . 28 . HN . 28 . N parsed_2azh 1
10 . . . . . . . . . . . . . . . . 2.6100 . . . . . 31 . HN . 31 . N parsed_2azh 1
11 . . . . . . . . . . . . . . . . -7.4800 . . . . . 33 . HN . 33 . N parsed_2azh 1
12 . . . . . . . . . . . . . . . . 2.4300 . . . . . 34 . HN . 34 . N parsed_2azh 1
13 . . . . . . . . . . . . . . . . -3.9000 . . . . . 35 . HN . 35 . N parsed_2azh 1
14 . . . . . . . . . . . . . . . . 5.3600 . . . . . 36 . HN . 36 . N parsed_2azh 1
15 . . . . . . . . . . . . . . . . -3.9200 . . . . . 37 . HN . 37 . N parsed_2azh 1
16 . . . . . . . . . . . . . . . . 3.1000 . . . . . 38 . HN . 38 . N parsed_2azh 1
17 . . . . . . . . . . . . . . . . -1.5800 . . . . . 42 . HN . 42 . N parsed_2azh 1
18 . . . . . . . . . . . . . . . . 1.4500 . . . . . 43 . HN . 43 . N parsed_2azh 1
19 . . . . . . . . . . . . . . . . 1.7600 . . . . . 44 . HN . 44 . N parsed_2azh 1
20 . . . . . . . . . . . . . . . . 2.8300 . . . . . 45 . HN . 45 . N parsed_2azh 1
21 . . . . . . . . . . . . . . . . -0.5400 . . . . . 46 . HN . 46 . N parsed_2azh 1
22 . . . . . . . . . . . . . . . . 14.9500 . . . . . 47 . HN . 47 . N parsed_2azh 1
23 . . . . . . . . . . . . . . . . -3.2800 . . . . . 48 . HN . 48 . N parsed_2azh 1
24 . . . . . . . . . . . . . . . . -3.7100 . . . . . 49 . HN . 49 . N parsed_2azh 1
25 . . . . . . . . . . . . . . . . -4.4300 . . . . . 50 . HN . 50 . N parsed_2azh 1
26 . . . . . . . . . . . . . . . . -4.1300 . . . . . 51 . HN . 51 . N parsed_2azh 1
27 . . . . . . . . . . . . . . . . -8.4600 . . . . . 52 . HN . 52 . N parsed_2azh 1
28 . . . . . . . . . . . . . . . . -2.9800 . . . . . 53 . HN . 53 . N parsed_2azh 1
29 . . . . . . . . . . . . . . . . 8.4500 . . . . . 54 . HN . 54 . N parsed_2azh 1
30 . . . . . . . . . . . . . . . . -8.5100 . . . . . 55 . HN . 55 . N parsed_2azh 1
31 . . . . . . . . . . . . . . . . -8.6300 . . . . . 56 . HN . 56 . N parsed_2azh 1
32 . . . . . . . . . . . . . . . . 0.1800 . . . . . 57 . HN . 57 . N parsed_2azh 1
33 . . . . . . . . . . . . . . . . 1.3400 . . . . . 58 . HN . 58 . N parsed_2azh 1
34 . . . . . . . . . . . . . . . . 0.0600 . . . . . 59 . HN . 59 . N parsed_2azh 1
35 . . . . . . . . . . . . . . . . 1.8800 . . . . . 61 . HN . 61 . N parsed_2azh 1
36 . . . . . . . . . . . . . . . . 5.2800 . . . . . 64 . HN . 64 . N parsed_2azh 1
37 . . . . . . . . . . . . . . . . 1.6400 . . . . . 65 . HN . 65 . N parsed_2azh 1
38 . . . . . . . . . . . . . . . . 7.1000 . . . . . 68 . HN . 68 . N parsed_2azh 1
39 . . . . . . . . . . . . . . . . -0.3700 . . . . . 70 . HN . 70 . N parsed_2azh 1
40 . . . . . . . . . . . . . . . . 1.3400 . . . . . 71 . HN . 71 . N parsed_2azh 1
41 . . . . . . . . . . . . . . . . 10.0900 . . . . . 72 . HN . 72 . N parsed_2azh 1
42 . . . . . . . . . . . . . . . . -0.4200 . . . . . 74 . HN . 74 . N parsed_2azh 1
43 . . . . . . . . . . . . . . . . 4.0100 . . . . . 76 . HN . 76 . N parsed_2azh 1
44 . . . . . . . . . . . . . . . . 0.6700 . . . . . 77 . HN . 77 . N parsed_2azh 1
45 . . . . . . . . . . . . . . . . -0.9200 . . . . . 78 . HN . 78 . N parsed_2azh 1
46 . . . . . . . . . . . . . . . . 6.5000 . . . . . 79 . HN . 79 . N parsed_2azh 1
47 . . . . . . . . . . . . . . . . 5.7200 . . . . . 80 . HN . 80 . N parsed_2azh 1
48 . . . . . . . . . . . . . . . . -8.7500 . . . . . 81 . HN . 81 . N parsed_2azh 1
49 . . . . . . . . . . . . . . . . -8.2700 . . . . . 82 . HN . 82 . N parsed_2azh 1
50 . . . . . . . . . . . . . . . . -3.6500 . . . . . 84 . HN . 84 . N parsed_2azh 1
51 . . . . . . . . . . . . . . . . -10.1900 . . . . . 85 . HN . 85 . N parsed_2azh 1
52 . . . . . . . . . . . . . . . . -0.6800 . . . . . 87 . HN . 87 . N parsed_2azh 1
53 . . . . . . . . . . . . . . . . -12.2100 . . . . . 88 . HN . 88 . N parsed_2azh 1
54 . . . . . . . . . . . . . . . . -5.2900 . . . . . 89 . HN . 89 . N parsed_2azh 1
55 . . . . . . . . . . . . . . . . 1.5800 . . . . . 90 . HN . 90 . N parsed_2azh 1
56 . . . . . . . . . . . . . . . . -9.9600 . . . . . 92 . HN . 92 . N parsed_2azh 1
57 . . . . . . . . . . . . . . . . -1.1000 . . . . . 94 . HN . 94 . N parsed_2azh 1
58 . . . . . . . . . . . . . . . . -6.3200 . . . . . 95 . HN . 95 . N parsed_2azh 1
59 . . . . . . . . . . . . . . . . -8.6300 . . . . . 96 . HN . 96 . N parsed_2azh 1
60 . . . . . . . . . . . . . . . . -1.4600 . . . . . 97 . HN . 97 . N parsed_2azh 1
61 . . . . . . . . . . . . . . . . -4.8700 . . . . . 98 . HN . 98 . N parsed_2azh 1
62 . . . . . . . . . . . . . . . . -9.7300 . . . . . 99 . HN . 99 . N parsed_2azh 1
63 . . . . . . . . . . . . . . . . -1.1500 . . . . . 100 . HN . 100 . N parsed_2azh 1
64 . . . . . . . . . . . . . . . . 3.7000 . . . . . 101 . HN . 101 . N parsed_2azh 1
65 . . . . . . . . . . . . . . . . -6.0100 . . . . . 102 . HN . 102 . N parsed_2azh 1
66 . . . . . . . . . . . . . . . . -4.6700 . . . . . 105 . HN . 105 . N parsed_2azh 1
67 . . . . . . . . . . . . . . . . -0.3000 . . . . . 106 . HN . 106 . N parsed_2azh 1
68 . . . . . . . . . . . . . . . . 6.5700 . . . . . 107 . HN . 107 . N parsed_2azh 1
69 . . . . . . . . . . . . . . . . 4.5100 . . . . . 108 . HN . 108 . N parsed_2azh 1
70 . . . . . . . . . . . . . . . . -3.8300 . . . . . 109 . HN . 109 . N parsed_2azh 1
71 . . . . . . . . . . . . . . . . -9.1700 . . . . . 110 . HN . 110 . N parsed_2azh 1
72 . . . . . . . . . . . . . . . . 1.7100 . . . . . 111 . HN . 111 . N parsed_2azh 1
73 . . . . . . . . . . . . . . . . 0.8500 . . . . . 112 . HN . 112 . N parsed_2azh 1
74 . . . . . . . . . . . . . . . . -0.6600 . . . . . 113 . HN . 113 . N parsed_2azh 1
75 . . . . . . . . . . . . . . . . 0.5400 . . . . . 116 . HN . 116 . N parsed_2azh 1
76 . . . . . . . . . . . . . . . . 8.1400 . . . . . 117 . HN . 117 . N parsed_2azh 1
77 . . . . . . . . . . . . . . . . -0.4300 . . . . . 119 . HN . 119 . N parsed_2azh 1
78 . . . . . . . . . . . . . . . . 6.9900 . . . . . 121 . HN . 121 . N parsed_2azh 1
79 . . . . . . . . . . . . . . . . 0.3100 . . . . . 122 . HN . 122 . N parsed_2azh 1
80 . . . . . . . . . . . . . . . . 4.9900 . . . . . 126 . HN . 126 . N parsed_2azh 1
81 . . . . . . . . . . . . . . . . -9.6100 . . . . . 131 . HN . 131 . N parsed_2azh 1
82 . . . . . . . . . . . . . . . . -14.1600 . . . . . 132 . HN . 132 . N parsed_2azh 1
83 . . . . . . . . . . . . . . . . -11.6200 . . . . . 133 . HN . 133 . N parsed_2azh 1
84 . . . . . . . . . . . . . . . . -10.5400 . . . . . 134 . HN . 134 . N parsed_2azh 1
85 . . . . . . . . . . . . . . . . -7.6000 . . . . . 135 . HN . 135 . N parsed_2azh 1
86 . . . . . . . . . . . . . . . . -10.3400 . . . . . 138 . HN . 138 . N parsed_2azh 1
87 . . . . . . . . . . . . . . . . -10.3300 . . . . . 139 . HN . 139 . N parsed_2azh 1
88 . . . . . . . . . . . . . . . . -10.7700 . . . . . 140 . HN . 140 . N parsed_2azh 1
89 . . . . . . . . . . . . . . . . -1.0400 . . . . . 141 . HN . 141 . N parsed_2azh 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 "RDC Constraints from C12E6/n-hexanol" 2 1 2 39 parsed_2azh 1
stop_
save_
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