NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
563450 |
2m8k   |
19260 | cing | 2-parsed | STAR | dipolar coupling | 98 |
data_2m8k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m8k
_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_2m8k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m8k
_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 2m8k "Master copy" parsed_2m8k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m8k
_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 2m8k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m8k 1
1 2m8k.mr . . XPLOR/CNS 2 distance NOE simple 943 parsed_2m8k 1
1 2m8k.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 90 parsed_2m8k 1
1 2m8k.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 254 parsed_2m8k 1
1 2m8k.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 98 parsed_2m8k 1
1 2m8k.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m8k 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m8k
_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 . . . . . . . . . . . . . . . . 31.015 27.236 34.794 . . . 1 . C8 . 1 . H8 parsed_2m8k 1
2 . . . . . . . . . . . . . . . . 24.542 20.763 28.321 . . . 2 . C8 . 2 . H8 parsed_2m8k 1
3 . . . . . . . . . . . . . . . . 11.626 7.847 15.405 . . . 5 . C6 . 5 . H6 parsed_2m8k 1
4 . . . . . . . . . . . . . . . . 43.172 39.393 46.951 . . . 8 . C6 . 8 . H6 parsed_2m8k 1
5 . . . . . . . . . . . . . . . . 23.185 19.406 26.964 . . . 10 . C6 . 10 . H6 parsed_2m8k 1
6 . . . . . . . . . . . . . . . . 8.313 4.534 12.092 . . . 11 . C6 . 11 . H6 parsed_2m8k 1
7 . . . . . . . . . . . . . . . . -4.721 -8.500 -0.942 . . . 12 . C8 . 12 . H8 parsed_2m8k 1
8 . . . . . . . . . . . . . . . . 5.477 1.698 9.256 . . . 12 . C2 . 12 . H2 parsed_2m8k 1
9 . . . . . . . . . . . . . . . . 10.895 7.116 14.674 . . . 13 . C8 . 13 . H8 parsed_2m8k 1
10 . . . . . . . . . . . . . . . . 36.573 32.794 40.352 . . . 15 . C8 . 15 . H8 parsed_2m8k 1
11 . . . . . . . . . . . . . . . . 44.818 41.039 48.597 . . . 16 . C8 . 16 . H8 parsed_2m8k 1
12 . . . . . . . . . . . . . . . . 42.189 38.410 45.968 . . . 16 . C2 . 16 . H2 parsed_2m8k 1
13 . . . . . . . . . . . . . . . . 28.690 24.911 32.469 . . . 18 . C6 . 18 . H6 parsed_2m8k 1
14 . . . . . . . . . . . . . . . . 16.456 12.677 20.235 . . . 19 . C6 . 19 . H6 parsed_2m8k 1
15 . . . . . . . . . . . . . . . . 35.276 31.497 39.055 . . . 22 . C6 . 22 . H6 parsed_2m8k 1
16 . . . . . . . . . . . . . . . . 37.355 33.576 41.134 . . . 23 . C6 . 23 . H6 parsed_2m8k 1
17 . . . . . . . . . . . . . . . . 34.723 30.944 38.502 . . . 24 . C8 . 24 . H8 parsed_2m8k 1
18 . . . . . . . . . . . . . . . . 49.232 45.453 53.011 . . . 24 . C2 . 24 . H2 parsed_2m8k 1
19 . . . . . . . . . . . . . . . . 19.578 15.799 23.357 . . . 25 . C8 . 25 . H8 parsed_2m8k 1
20 . . . . . . . . . . . . . . . . 35.903 32.124 39.682 . . . 25 . C2 . 25 . H2 parsed_2m8k 1
21 . . . . . . . . . . . . . . . . 13.122 9.343 16.901 . . . 26 . C8 . 26 . H8 parsed_2m8k 1
22 . . . . . . . . . . . . . . . . 24.346 20.567 28.125 . . . 26 . C2 . 26 . H2 parsed_2m8k 1
23 . . . . . . . . . . . . . . . . 10.493 6.714 14.272 . . . 27 . C6 . 27 . H6 parsed_2m8k 1
24 . . . . . . . . . . . . . . . . 8.007 4.228 11.786 . . . 29 . C6 . 29 . H6 parsed_2m8k 1
25 . . . . . . . . . . . . . . . . 13.921 10.142 17.700 . . . 28 . C6 . 28 . H6 parsed_2m8k 1
26 . . . . . . . . . . . . . . . . 6.695 2.916 10.474 . . . 30 . C6 . 30 . H6 parsed_2m8k 1
27 . . . . . . . . . . . . . . . . -14.975 -18.754 -11.196 . . . 31 . C6 . 31 . H6 parsed_2m8k 1
28 . . . . . . . . . . . . . . . . 9.363 5.584 13.142 . . . 31 . C5 . 31 . H5 parsed_2m8k 1
29 . . . . . . . . . . . . . . . . -0.142 -3.921 3.637 . . . 32 . C5 . 32 . H5 parsed_2m8k 1
30 . . . . . . . . . . . . . . . . -0.993 -4.772 2.786 . . . 33 . C6 . 33 . H6 parsed_2m8k 1
31 . . . . . . . . . . . . . . . . 43.134 39.355 46.913 . . . 34 . C8 . 34 . H8 parsed_2m8k 1
32 . . . . . . . . . . . . . . . . 23.494 19.715 27.273 . . . 35 . C6 . 35 . H6 parsed_2m8k 1
33 . . . . . . . . . . . . . . . . 48.184 44.405 51.963 . . . 36 . C8 . 36 . H8 parsed_2m8k 1
34 . . . . . . . . . . . . . . . . -0.018 -3.797 3.761 . . . 37 . C6 . 37 . H6 parsed_2m8k 1
35 . . . . . . . . . . . . . . . . 50.532 46.753 54.311 . . . 38 . C8 . 38 . H8 parsed_2m8k 1
36 . . . . . . . . . . . . . . . . 50.280 46.501 54.059 . . . 38 . C2 . 38 . H2 parsed_2m8k 1
37 . . . . . . . . . . . . . . . . 41.679 37.900 45.458 . . . 39 . C8 . 39 . H8 parsed_2m8k 1
38 . . . . . . . . . . . . . . . . 49.377 45.598 53.156 . . . 39 . C2 . 39 . H2 parsed_2m8k 1
39 . . . . . . . . . . . . . . . . 35.159 31.380 38.938 . . . 40 . C8 . 40 . H8 parsed_2m8k 1
40 . . . . . . . . . . . . . . . . 39.110 35.331 42.889 . . . 40 . C2 . 40 . H2 parsed_2m8k 1
41 . . . . . . . . . . . . . . . . 34.065 30.286 37.844 . . . 41 . C8 . 41 . H8 parsed_2m8k 1
42 . . . . . . . . . . . . . . . . 30.746 26.967 34.525 . . . 41 . C2 . 41 . H2 parsed_2m8k 1
43 . . . . . . . . . . . . . . . . 38.430 34.651 42.209 . . . 42 . C8 . 42 . H8 parsed_2m8k 1
44 . . . . . . . . . . . . . . . . 29.610 25.831 33.389 . . . 42 . C2 . 42 . H2 parsed_2m8k 1
45 . . . . . . . . . . . . . . . . 43.082 39.303 46.861 . . . 43 . C6 . 43 . H6 parsed_2m8k 1
46 . . . . . . . . . . . . . . . . 36.488 32.709 40.267 . . . 44 . C6 . 44 . H6 parsed_2m8k 1
47 . . . . . . . . . . . . . . . . 32.490 28.711 36.269 . . . 45 . C8 . 45 . H8 parsed_2m8k 1
48 . . . . . . . . . . . . . . . . 48.537 44.758 52.316 . . . 45 . C2 . 45 . H2 parsed_2m8k 1
49 . . . . . . . . . . . . . . . . -4.907 -8.686 -1.128 . . . 47 . C6 . 47 . H6 parsed_2m8k 1
50 . . . . . . . . . . . . . . . . -3.130 -6.909 0.649 . . . 48 . C8 . 48 . H8 parsed_2m8k 1
51 . . . . . . . . . . . . . . . . 32.049 24.379 39.719 . . . 2 . N1 . 2 . H1 parsed_2m8k 1
52 . . . . . . . . . . . . . . . . 25.297 17.627 32.967 . . . 3 . N3 . 3 . H3 parsed_2m8k 1
53 . . . . . . . . . . . . . . . . 34.830 27.160 42.500 . . . 4 . N3 . 4 . H3 parsed_2m8k 1
54 . . . . . . . . . . . . . . . . 22.582 14.912 30.252 . . . 5 . N3 . 5 . H3 parsed_2m8k 1
55 . . . . . . . . . . . . . . . . 42.722 35.052 50.392 . . . 7 . N3 . 7 . H3 parsed_2m8k 1
56 . . . . . . . . . . . . . . . . 52.059 44.389 59.729 . . . 8 . N3 . 8 . H3 parsed_2m8k 1
57 . . . . . . . . . . . . . . . . 51.826 44.156 59.496 . . . 9 . N3 . 9 . H3 parsed_2m8k 1
58 . . . . . . . . . . . . . . . . 22.451 14.781 30.121 . . . 10 . N3 . 10 . H3 parsed_2m8k 1
59 . . . . . . . . . . . . . . . . 26.018 18.348 33.688 . . . 11 . N3 . 11 . H3 parsed_2m8k 1
60 . . . . . . . . . . . . . . . . 35.431 27.761 43.101 . . . 13 . N1 . 13 . H1 parsed_2m8k 1
61 . . . . . . . . . . . . . . . . 36.909 29.239 44.579 . . . 14 . N3 . 14 . H3 parsed_2m8k 1
62 . . . . . . . . . . . . . . . . 45.187 37.517 52.857 . . . 15 . N1 . 15 . H1 parsed_2m8k 1
63 . . . . . . . . . . . . . . . . 45.716 38.046 53.386 . . . 17 . N3 . 17 . H3 parsed_2m8k 1
64 . . . . . . . . . . . . . . . . 31.972 24.302 39.642 . . . 18 . N3 . 18 . H3 parsed_2m8k 1
65 . . . . . . . . . . . . . . . . 24.589 16.919 32.259 . . . 19 . N3 . 19 . H3 parsed_2m8k 1
66 . . . . . . . . . . . . . . . . 27.603 19.933 35.273 . . . 20 . N3 . 20 . H3 parsed_2m8k 1
67 . . . . . . . . . . . . . . . . 40.439 32.769 48.109 . . . 21 . N3 . 21 . H3 parsed_2m8k 1
68 . . . . . . . . . . . . . . . . 44.921 37.251 52.591 . . . 34 . N1 . 34 . H1 parsed_2m8k 1
69 . . . . . . . . . . . . . . . . 49.274 41.604 56.944 . . . 36 . N1 . 36 . H1 parsed_2m8k 1
70 . . . . . . . . . . . . . . . . 48.068 40.398 55.738 . . . 43 . N3 . 43 . H3 parsed_2m8k 1
71 . . . . . . . . . . . . . . . . 22.244 14.574 29.914 . . . 46 . N3 . 46 . H3 parsed_2m8k 1
72 . . . . . . . . . . . . . . . . -50.976 -54.861 -47.091 . . . 4 . C1' . 4 . H1' parsed_2m8k 1
73 . . . . . . . . . . . . . . . . -35.086 -38.971 -31.201 . . . 7 . C1' . 7 . H1' parsed_2m8k 1
74 . . . . . . . . . . . . . . . . -22.444 -26.329 -18.559 . . . 8 . C1' . 8 . H1' parsed_2m8k 1
75 . . . . . . . . . . . . . . . . -20.746 -24.631 -16.861 . . . 10 . C1' . 10 . H1' parsed_2m8k 1
76 . . . . . . . . . . . . . . . . -4.836 -8.721 -0.951 . . . 11 . C1' . 11 . H1' parsed_2m8k 1
77 . . . . . . . . . . . . . . . . -58.318 -62.203 -54.433 . . . 12 . C1' . 12 . H1' parsed_2m8k 1
78 . . . . . . . . . . . . . . . . -58.155 -62.040 -54.270 . . . 14 . C1' . 14 . H1' parsed_2m8k 1
79 . . . . . . . . . . . . . . . . -71.866 -75.751 -67.981 . . . 16 . C1' . 16 . H1' parsed_2m8k 1
80 . . . . . . . . . . . . . . . . -19.445 -23.330 -15.560 . . . 17 . C1' . 17 . H1' parsed_2m8k 1
81 . . . . . . . . . . . . . . . . -36.951 -40.836 -33.066 . . . 18 . C1' . 18 . H1' parsed_2m8k 1
82 . . . . . . . . . . . . . . . . -52.333 -56.218 -48.448 . . . 19 . C1' . 19 . H1' parsed_2m8k 1
83 . . . . . . . . . . . . . . . . -52.081 -55.966 -48.196 . . . 21 . C1' . 21 . H1' parsed_2m8k 1
84 . . . . . . . . . . . . . . . . -37.082 -40.967 -33.197 . . . 22 . C1' . 22 . H1' parsed_2m8k 1
85 . . . . . . . . . . . . . . . . -88.144 -92.029 -84.259 . . . 23 . C1' . 23 . H1' parsed_2m8k 1
86 . . . . . . . . . . . . . . . . -6.861 -10.746 -2.976 . . . 24 . C1' . 24 . H1' parsed_2m8k 1
87 . . . . . . . . . . . . . . . . -16.945 -20.830 -13.060 . . . 25 . C1' . 25 . H1' parsed_2m8k 1
88 . . . . . . . . . . . . . . . . -36.064 -39.949 -32.179 . . . 26 . C1' . 26 . H1' parsed_2m8k 1
89 . . . . . . . . . . . . . . . . -31.569 -35.454 -27.684 . . . 27 . C1' . 27 . H1' parsed_2m8k 1
90 . . . . . . . . . . . . . . . . 6.237 2.352 10.122 . . . 29 . C1' . 29 . H1' parsed_2m8k 1
91 . . . . . . . . . . . . . . . . 1.518 -2.367 5.403 . . . 30 . C1' . 30 . H1' parsed_2m8k 1
92 . . . . . . . . . . . . . . . . -10.290 -14.175 -6.405 . . . 31 . C1' . 31 . H1' parsed_2m8k 1
93 . . . . . . . . . . . . . . . . -42.098 -45.983 -38.213 . . . 38 . C1' . 38 . H1' parsed_2m8k 1
94 . . . . . . . . . . . . . . . . -48.666 -52.551 -44.781 . . . 40 . C1' . 40 . H1' parsed_2m8k 1
95 . . . . . . . . . . . . . . . . -63.631 -67.516 -59.746 . . . 41 . C1' . 41 . H1' parsed_2m8k 1
96 . . . . . . . . . . . . . . . . -68.345 -72.230 -64.460 . . . 42 . C1' . 42 . H1' parsed_2m8k 1
97 . . . . . . . . . . . . . . . . -16.302 -20.187 -12.417 . . . 46 . C1' . 46 . H1' parsed_2m8k 1
98 . . . . . . . . . . . . . . . . -4.937 -8.822 -1.052 . . . 48 . C1' . 48 . H1' parsed_2m8k 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 1 1 1 5 parsed_2m8k 1
stop_
save_
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