NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
515827 |
1zrr   |
4313 | cing | 2-parsed | STAR | dipolar coupling | 102 |
data_1zrr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1zrr
_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_1zrr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1zrr
_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 1zrr "Master copy" parsed_1zrr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1zrr
_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 1zrr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1zrr 1
1 1zrr.mr . . XPLOR/CNS 2 distance NOE simple 1251 parsed_1zrr 1
1 1zrr.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 102 parsed_1zrr 1
1 1zrr.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1zrr 1
1 1zrr.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1zrr 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1zrr
_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 . . . . . . . . . . . . . . . . -12.641 . . . . . 2 . N . 2 . HN parsed_1zrr 1
2 . . . . . . . . . . . . . . . . 21.271 . . . . . 3 . N . 3 . HN parsed_1zrr 1
3 . . . . . . . . . . . . . . . . 1.033 . . . . . 4 . N . 4 . HN parsed_1zrr 1
4 . . . . . . . . . . . . . . . . 4.680 . . . . . 6 . N . 6 . HN parsed_1zrr 1
5 . . . . . . . . . . . . . . . . 11.243 . . . . . 7 . N . 7 . HN parsed_1zrr 1
6 . . . . . . . . . . . . . . . . -14.343 . . . . . 8 . N . 8 . HN parsed_1zrr 1
7 . . . . . . . . . . . . . . . . -5.713 . . . . . 10 . N . 10 . HN parsed_1zrr 1
8 . . . . . . . . . . . . . . . . -17.381 . . . . . 13 . N . 13 . HN parsed_1zrr 1
9 . . . . . . . . . . . . . . . . -8.569 . . . . . 15 . N . 15 . HN parsed_1zrr 1
10 . . . . . . . . . . . . . . . . -25.707 . . . . . 16 . N . 16 . HN parsed_1zrr 1
11 . . . . . . . . . . . . . . . . -21.207 . . . . . 16 . NE1 . 16 . HE1 parsed_1zrr 1
12 . . . . . . . . . . . . . . . . 8.205 . . . . . 17 . N . 17 . HN parsed_1zrr 1
13 . . . . . . . . . . . . . . . . -18.354 . . . . . 18 . N . 18 . HN parsed_1zrr 1
14 . . . . . . . . . . . . . . . . -25.221 . . . . . 19 . N . 19 . HN parsed_1zrr 1
15 . . . . . . . . . . . . . . . . -18.536 . . . . . 23 . N . 23 . HN parsed_1zrr 1
16 . . . . . . . . . . . . . . . . 4.558 . . . . . 24 . N . 24 . HN parsed_1zrr 1
17 . . . . . . . . . . . . . . . . -11.608 . . . . . 29 . N . 29 . HN parsed_1zrr 1
18 . . . . . . . . . . . . . . . . -8.448 . . . . . 30 . N . 30 . HN parsed_1zrr 1
19 . . . . . . . . . . . . . . . . -8.569 . . . . . 31 . N . 31 . HN parsed_1zrr 1
20 . . . . . . . . . . . . . . . . -26.011 . . . . . 32 . N . 32 . HN parsed_1zrr 1
21 . . . . . . . . . . . . . . . . -8.144 . . . . . 33 . N . 33 . HN parsed_1zrr 1
22 . . . . . . . . . . . . . . . . -28.625 . . . . . 34 . N . 34 . HN parsed_1zrr 1
23 . . . . . . . . . . . . . . . . -0.182 . . . . . 36 . N . 36 . HN parsed_1zrr 1
24 . . . . . . . . . . . . . . . . 2.554 . . . . . 37 . N . 37 . HN parsed_1zrr 1
25 . . . . . . . . . . . . . . . . -7.00 . . . . . 38 . NE1 . 38 . HE1 parsed_1zrr 1
26 . . . . . . . . . . . . . . . . 9.116 . . . . . 40 . N . 40 . HN parsed_1zrr 1
27 . . . . . . . . . . . . . . . . -10.00 . . . . . 41 . N . 41 . HN parsed_1zrr 1
28 . . . . . . . . . . . . . . . . 12.823 . . . . . 44 . N . 44 . HN parsed_1zrr 1
29 . . . . . . . . . . . . . . . . -18.475 . . . . . 45 . N . 45 . HN parsed_1zrr 1
30 . . . . . . . . . . . . . . . . 26.558 . . . . . 47 . N . 47 . HN parsed_1zrr 1
31 . . . . . . . . . . . . . . . . 14.950 . . . . . 49 . N . 49 . HN parsed_1zrr 1
32 . . . . . . . . . . . . . . . . -17.078 . . . . . 51 . N . 51 . HN parsed_1zrr 1
33 . . . . . . . . . . . . . . . . -5.044 . . . . . 52 . N . 52 . HN parsed_1zrr 1
34 . . . . . . . . . . . . . . . . -14.586 . . . . . 53 . N . 53 . HN parsed_1zrr 1
35 . . . . . . . . . . . . . . . . -17.685 . . . . . 55 . N . 55 . HN parsed_1zrr 1
36 . . . . . . . . . . . . . . . . 1.7 . . . . . 56 . N . 56 . HN parsed_1zrr 1
37 . . . . . . . . . . . . . . . . -28.078 . . . . . 57 . N . 57 . HN parsed_1zrr 1
38 . . . . . . . . . . . . . . . . -6.138 . . . . . 58 . N . 58 . HN parsed_1zrr 1
39 . . . . . . . . . . . . . . . . -6.685 . . . . . 59 . N . 59 . HN parsed_1zrr 1
40 . . . . . . . . . . . . . . . . -11.60 . . . . . 62 . N . 62 . HN parsed_1zrr 1
41 . . . . . . . . . . . . . . . . -7.414 . . . . . 63 . N . 63 . HN parsed_1zrr 1
42 . . . . . . . . . . . . . . . . -12.033 . . . . . 64 . N . 64 . HN parsed_1zrr 1
43 . . . . . . . . . . . . . . . . -7.475 . . . . . 65 . N . 65 . HN parsed_1zrr 1
44 . . . . . . . . . . . . . . . . -20.602 . . . . . 66 . N . 66 . HN parsed_1zrr 1
45 . . . . . . . . . . . . . . . . -13.796 . . . . . 67 . N . 67 . HN parsed_1zrr 1
46 . . . . . . . . . . . . . . . . -21.60 . . . . . 68 . N . 68 . HN parsed_1zrr 1
47 . . . . . . . . . . . . . . . . -10.210 . . . . . 69 . N . 69 . HN parsed_1zrr 1
48 . . . . . . . . . . . . . . . . -19.022 . . . . . 70 . N . 70 . HN parsed_1zrr 1
49 . . . . . . . . . . . . . . . . 33.122 . . . . . 72 . N . 72 . HN parsed_1zrr 1
50 . . . . . . . . . . . . . . . . 22.60 . . . . . 73 . N . 73 . HN parsed_1zrr 1
51 . . . . . . . . . . . . . . . . 15.000 . . . . . 74 . N . 74 . HN parsed_1zrr 1
52 . . . . . . . . . . . . . . . . -3.525 . . . . . 75 . N . 75 . HN parsed_1zrr 1
53 . . . . . . . . . . . . . . . . -21.64 . . . . . 76 . N . 76 . HN parsed_1zrr 1
54 . . . . . . . . . . . . . . . . -23.945 . . . . . 77 . N . 77 . HN parsed_1zrr 1
55 . . . . . . . . . . . . . . . . 42.20 . . . . . 78 . N . 78 . HN parsed_1zrr 1
56 . . . . . . . . . . . . . . . . 26.619 . . . . . 81 . N . 81 . HN parsed_1zrr 1
57 . . . . . . . . . . . . . . . . -5.00 . . . . . 82 . N . 82 . HN parsed_1zrr 1
58 . . . . . . . . . . . . . . . . -2.066 . . . . . 87 . N . 87 . HN parsed_1zrr 1
59 . . . . . . . . . . . . . . . . -3.099 . . . . . 90 . N . 90 . HN parsed_1zrr 1
60 . . . . . . . . . . . . . . . . -3.586 . . . . . 91 . N . 91 . HN parsed_1zrr 1
61 . . . . . . . . . . . . . . . . -21.453 . . . . . 106 . N . 106 . HN parsed_1zrr 1
62 . . . . . . . . . . . . . . . . -15.801 . . . . . 107 . N . 107 . HN parsed_1zrr 1
63 . . . . . . . . . . . . . . . . -6.685 . . . . . 108 . N . 108 . HN parsed_1zrr 1
64 . . . . . . . . . . . . . . . . -17.868 . . . . . 109 . N . 109 . HN parsed_1zrr 1
65 . . . . . . . . . . . . . . . . -12.823 . . . . . 110 . N . 110 . HN parsed_1zrr 1
66 . . . . . . . . . . . . . . . . -22.20 . . . . . 111 . N . 111 . HN parsed_1zrr 1
67 . . . . . . . . . . . . . . . . -5.713 . . . . . 112 . N . 112 . HN parsed_1zrr 1
68 . . . . . . . . . . . . . . . . 1.276 . . . . . 116 . N . 116 . HN parsed_1zrr 1
69 . . . . . . . . . . . . . . . . -5.000 . . . . . 117 . N . 117 . HN parsed_1zrr 1
70 . . . . . . . . . . . . . . . . -8.448 . . . . . 118 . N . 118 . HN parsed_1zrr 1
71 . . . . . . . . . . . . . . . . -24.000 . . . . . 119 . N . 119 . HN parsed_1zrr 1
72 . . . . . . . . . . . . . . . . 14.160 . . . . . 120 . N . 120 . HN parsed_1zrr 1
73 . . . . . . . . . . . . . . . . -0.182 . . . . . 121 . N . 121 . HN parsed_1zrr 1
74 . . . . . . . . . . . . . . . . -13.735 . . . . . 123 . N . 123 . HN parsed_1zrr 1
75 . . . . . . . . . . . . . . . . -23.884 . . . . . 125 . N . 125 . HN parsed_1zrr 1
76 . . . . . . . . . . . . . . . . -12.519 . . . . . 126 . N . 126 . HN parsed_1zrr 1
77 . . . . . . . . . . . . . . . . -10.028 . . . . . 127 . N . 127 . HN parsed_1zrr 1
78 . . . . . . . . . . . . . . . . 2.309 . . . . . 128 . N . 128 . HN parsed_1zrr 1
79 . . . . . . . . . . . . . . . . -17.746 . . . . . 129 . N . 129 . HN parsed_1zrr 1
80 . . . . . . . . . . . . . . . . -2.370 . . . . . 130 . N . 130 . HN parsed_1zrr 1
81 . . . . . . . . . . . . . . . . -16.409 . . . . . 131 . N . 131 . HN parsed_1zrr 1
82 . . . . . . . . . . . . . . . . -6.709 . . . . . 141 . NE1 . 141 . HE1 parsed_1zrr 1
83 . . . . . . . . . . . . . . . . 0.912 . . . . . 145 . N . 145 . HN parsed_1zrr 1
84 . . . . . . . . . . . . . . . . -12.094 . . . . . 146 . N . 146 . HN parsed_1zrr 1
85 . . . . . . . . . . . . . . . . -19.387 . . . . . 147 . N . 147 . HN parsed_1zrr 1
86 . . . . . . . . . . . . . . . . 13.613 . . . . . 149 . N . 149 . HN parsed_1zrr 1
87 . . . . . . . . . . . . . . . . -22.851 . . . . . 152 . N . 152 . HN parsed_1zrr 1
88 . . . . . . . . . . . . . . . . -7.597 . . . . . 153 . N . 153 . HN parsed_1zrr 1
89 . . . . . . . . . . . . . . . . 12.155 . . . . . 154 . N . 154 . HN parsed_1zrr 1
90 . . . . . . . . . . . . . . . . 36.404 . . . . . 155 . N . 155 . HN parsed_1zrr 1
91 . . . . . . . . . . . . . . . . -11.729 . . . . . 160 . N . 160 . HN parsed_1zrr 1
92 . . . . . . . . . . . . . . . . -9.663 . . . . . 161 . N . 161 . HN parsed_1zrr 1
93 . . . . . . . . . . . . . . . . 2.492 . . . . . 168 . N . 168 . HN parsed_1zrr 1
94 . . . . . . . . . . . . . . . . -22.000 . . . . . 169 . N . 169 . HN parsed_1zrr 1
95 . . . . . . . . . . . . . . . . 27.470 . . . . . 170 . N . 170 . HN parsed_1zrr 1
96 . . . . . . . . . . . . . . . . -7.779 . . . . . 171 . N . 171 . HN parsed_1zrr 1
97 . . . . . . . . . . . . . . . . -12.2 . . . . . 172 . N . 172 . HN parsed_1zrr 1
98 . . . . . . . . . . . . . . . . -17.807 . . . . . 173 . N . 173 . HN parsed_1zrr 1
99 . . . . . . . . . . . . . . . . -4.497 . . . . . 174 . N . 174 . HN parsed_1zrr 1
100 . . . . . . . . . . . . . . . . -1.215 . . . . . 175 . N . 175 . HN parsed_1zrr 1
101 . . . . . . . . . . . . . . . . -11.182 . . . . . 178 . N . 178 . HN parsed_1zrr 1
102 . . . . . . . . . . . . . . . . -14.039 . . . . . 179 . N . 179 . HN parsed_1zrr 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 "unaligned-aligned, C12 E5 ARD" 2 1 2 31 parsed_1zrr 1
stop_
save_
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