NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
33872 |
1j3d   |
cing | 2-parsed | STAR | dipolar coupling | 60 |
data_1j3d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1j3d
_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_1j3d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1j3d
_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 1j3d "Master copy" parsed_1j3d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1j3d
_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 1j3d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j3d 1
1 1j3d.mr . . XPLOR/CNS 2 distance NOE simple 1899 parsed_1j3d 1
1 1j3d.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 65 parsed_1j3d 1
1 1j3d.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 60 parsed_1j3d 1
1 1j3d.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j3d 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1j3d
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . -20.06 -21.02 -19.10 . . . 6 . N . 6 . HN parsed_1j3d 1
2 . . . . . . . . . . . . . . . . -3.39 -3.61 -3.17 . . . 7 . N . 7 . HN parsed_1j3d 1
3 . . . . . . . . . . . . . . . . 19.48 18.65 20.31 . . . 9 . N . 9 . HN parsed_1j3d 1
4 . . . . . . . . . . . . . . . . -5.17 -6.60 -3.74 . . . 10 . N . 10 . HN parsed_1j3d 1
5 . . . . . . . . . . . . . . . . -7.34 -8.77 -5.91 . . . 13 . N . 13 . HN parsed_1j3d 1
6 . . . . . . . . . . . . . . . . 18.59 17.50 19.68 . . . 14 . N . 14 . HN parsed_1j3d 1
7 . . . . . . . . . . . . . . . . 17.29 15.87 18.71 . . . 15 . N . 15 . HN parsed_1j3d 1
8 . . . . . . . . . . . . . . . . 11.35 10.08 12.62 . . . 17 . N . 17 . HN parsed_1j3d 1
9 . . . . . . . . . . . . . . . . -3.13 -4.16 -2.10 . . . 18 . N . 18 . HN parsed_1j3d 1
10 . . . . . . . . . . . . . . . . 8.03 7.51 8.55 . . . 19 . N . 19 . HN parsed_1j3d 1
11 . . . . . . . . . . . . . . . . -2.52 -3.66 -1.38 . . . 20 . N . 20 . HN parsed_1j3d 1
12 . . . . . . . . . . . . . . . . 20.12 19.53 20.71 . . . 21 . N . 21 . HN parsed_1j3d 1
13 . . . . . . . . . . . . . . . . 13.55 13.31 13.79 . . . 22 . N . 22 . HN parsed_1j3d 1
14 . . . . . . . . . . . . . . . . -16.18 -18.97 -13.39 . . . 23 . N . 23 . HN parsed_1j3d 1
15 . . . . . . . . . . . . . . . . -1.56 -2.54 -0.58 . . . 25 . N . 25 . HN parsed_1j3d 1
16 . . . . . . . . . . . . . . . . -15.77 -15.92 -15.62 . . . 27 . N . 27 . HN parsed_1j3d 1
17 . . . . . . . . . . . . . . . . -11.66 -12.04 -11.28 . . . 28 . N . 28 . HN parsed_1j3d 1
18 . . . . . . . . . . . . . . . . -17.57 -19.74 -15.40 . . . 29 . N . 29 . HN parsed_1j3d 1
19 . . . . . . . . . . . . . . . . -2.86 -3.11 -2.61 . . . 30 . N . 30 . HN parsed_1j3d 1
20 . . . . . . . . . . . . . . . . 10.08 9.47 10.69 . . . 33 . N . 33 . HN parsed_1j3d 1
21 . . . . . . . . . . . . . . . . -2.07 -2.63 -1.51 . . . 34 . N . 34 . HN parsed_1j3d 1
22 . . . . . . . . . . . . . . . . -0.66 -1.50 0.18 . . . 37 . N . 37 . HN parsed_1j3d 1
23 . . . . . . . . . . . . . . . . -4.18 -5.12 -3.24 . . . 38 . N . 38 . HN parsed_1j3d 1
24 . . . . . . . . . . . . . . . . -6.95 -7.94 -5.96 . . . 39 . N . 39 . HN parsed_1j3d 1
25 . . . . . . . . . . . . . . . . -6.13 -6.47 -5.79 . . . 40 . N . 40 . HN parsed_1j3d 1
26 . . . . . . . . . . . . . . . . 0.55 0.17 0.93 . . . 41 . N . 41 . HN parsed_1j3d 1
27 . . . . . . . . . . . . . . . . -4.62 -5.05 -4.19 . . . 42 . N . 42 . HN parsed_1j3d 1
28 . . . . . . . . . . . . . . . . -7.58 -9.24 -5.92 . . . 43 . N . 43 . HN parsed_1j3d 1
29 . . . . . . . . . . . . . . . . -2.51 -2.87 -2.15 . . . 44 . N . 44 . HN parsed_1j3d 1
30 . . . . . . . . . . . . . . . . -4.16 -4.85 -3.47 . . . 45 . N . 45 . HN parsed_1j3d 1
31 . . . . . . . . . . . . . . . . -6.60 -7.55 -5.65 . . . 46 . N . 46 . HN parsed_1j3d 1
32 . . . . . . . . . . . . . . . . -8.09 -8.49 -7.69 . . . 47 . N . 47 . HN parsed_1j3d 1
33 . . . . . . . . . . . . . . . . 6.07 5.01 7.13 . . . 48 . N . 48 . HN parsed_1j3d 1
34 . . . . . . . . . . . . . . . . -7.47 -9.11 -5.83 . . . 49 . N . 49 . HN parsed_1j3d 1
35 . . . . . . . . . . . . . . . . 18.85 17.90 19.80 . . . 50 . N . 50 . HN parsed_1j3d 1
36 . . . . . . . . . . . . . . . . -9.96 -11.63 -8.29 . . . 52 . N . 52 . HN parsed_1j3d 1
37 . . . . . . . . . . . . . . . . 7.74 7.27 8.21 . . . 53 . N . 53 . HN parsed_1j3d 1
38 . . . . . . . . . . . . . . . . 13.01 11.93 14.09 . . . 54 . N . 54 . HN parsed_1j3d 1
39 . . . . . . . . . . . . . . . . -13.48 -15.46 -11.50 . . . 55 . N . 55 . HN parsed_1j3d 1
40 . . . . . . . . . . . . . . . . -8.20 -9.40 -7.00 . . . 57 . N . 57 . HN parsed_1j3d 1
41 . . . . . . . . . . . . . . . . -17.00 -17.61 -16.39 . . . 58 . N . 58 . HN parsed_1j3d 1
42 . . . . . . . . . . . . . . . . -16.95 -17.11 -16.79 . . . 59 . N . 59 . HN parsed_1j3d 1
43 . . . . . . . . . . . . . . . . -19.56 -20.59 -18.53 . . . 60 . N . 60 . HN parsed_1j3d 1
44 . . . . . . . . . . . . . . . . -14.33 -15.20 -13.46 . . . 61 . N . 61 . HN parsed_1j3d 1
45 . . . . . . . . . . . . . . . . -17.01 -17.88 -16.14 . . . 62 . N . 62 . HN parsed_1j3d 1
46 . . . . . . . . . . . . . . . . -12.87 -13.48 -12.26 . . . 63 . N . 63 . HN parsed_1j3d 1
47 . . . . . . . . . . . . . . . . -19.77 -22.20 -17.34 . . . 64 . N . 64 . HN parsed_1j3d 1
48 . . . . . . . . . . . . . . . . -16.46 -18.84 -14.08 . . . 65 . N . 65 . HN parsed_1j3d 1
49 . . . . . . . . . . . . . . . . -17.40 -18.88 -15.92 . . . 66 . N . 66 . HN parsed_1j3d 1
50 . . . . . . . . . . . . . . . . -17.22 -17.68 -16.76 . . . 68 . N . 68 . HN parsed_1j3d 1
51 . . . . . . . . . . . . . . . . -16.03 -16.87 -15.19 . . . 69 . N . 69 . HN parsed_1j3d 1
52 . . . . . . . . . . . . . . . . -15.21 -16.44 -13.98 . . . 70 . N . 70 . HN parsed_1j3d 1
53 . . . . . . . . . . . . . . . . -20.07 -20.29 -19.85 . . . 71 . N . 71 . HN parsed_1j3d 1
54 . . . . . . . . . . . . . . . . -15.16 -17.06 -13.26 . . . 72 . N . 72 . HN parsed_1j3d 1
55 . . . . . . . . . . . . . . . . -11.72 -11.93 -11.51 . . . 73 . N . 73 . HN parsed_1j3d 1
56 . . . . . . . . . . . . . . . . -14.98 -15.49 -14.47 . . . 74 . N . 74 . HN parsed_1j3d 1
57 . . . . . . . . . . . . . . . . -10.19 -11.84 -8.54 . . . 75 . N . 75 . HN parsed_1j3d 1
58 . . . . . . . . . . . . . . . . 0.36 0.13 0.59 . . . 76 . N . 76 . HN parsed_1j3d 1
59 . . . . . . . . . . . . . . . . 2.15 1.83 2.47 . . . 77 . N . 77 . HN parsed_1j3d 1
60 . . . . . . . . . . . . . . . . -0.78 -1.10 -0.46 . . . 78 . N . 78 . HN parsed_1j3d 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
;
dipolar coupling constant restraints
1JNH derived restraints : 61
N6
;
2 1 8 8 parsed_1j3d 1
2 A7 16 1 16 8 parsed_1j3d 1
3 K9 24 1 24 8 parsed_1j3d 1
4 R10 32 1 32 8 parsed_1j3d 1
5 S13 40 1 40 8 parsed_1j3d 1
6 A14 48 1 48 8 parsed_1j3d 1
7 F15 56 1 56 8 parsed_1j3d 1
8 L17 64 1 64 8 parsed_1j3d 1
9 F18 72 1 72 8 parsed_1j3d 1
10 C19 80 1 80 8 parsed_1j3d 1
11 S20 88 1 88 8 parsed_1j3d 1
12 E21 96 1 96 8 parsed_1j3d 1
13 H22 104 1 104 8 parsed_1j3d 1
14 R23 112 1 112 8 parsed_1j3d 1
15 K25 120 1 120 8 parsed_1j3d 1
16 K27 128 1 128 8 parsed_1j3d 1
17 S28 136 1 136 8 parsed_1j3d 1
18 E29 144 1 144 8 parsed_1j3d 1
19 H30 152 1 152 8 parsed_1j3d 1
20 L33 160 1 160 8 parsed_1j3d 1
21 S34 168 1 168 8 parsed_1j3d 1
22 D37 176 1 176 8 parsed_1j3d 1
23 T38 184 1 184 8 parsed_1j3d 1
24 A39 192 1 192 8 parsed_1j3d 1
25 K40 200 1 200 8 parsed_1j3d 1
26 K41 208 1 208 8 parsed_1j3d 1
27 L42 216 1 216 8 parsed_1j3d 1
28 G43 224 1 224 8 parsed_1j3d 1
29 E44 232 1 232 8 parsed_1j3d 1
30 M45 240 1 240 8 parsed_1j3d 1
31 W46 248 1 248 8 parsed_1j3d 1
32 S47 256 1 256 8 parsed_1j3d 1
33 E48 264 1 264 8 parsed_1j3d 1
34 Q49 272 1 272 8 parsed_1j3d 1
35 S50 280 1 280 8 parsed_1j3d 1
36 K52 288 1 288 8 parsed_1j3d 1
37 D53 296 1 296 8 parsed_1j3d 1
38 K54 304 1 304 8 parsed_1j3d 1
39 Q55 312 1 312 8 parsed_1j3d 1
40 Y57 320 1 320 8 parsed_1j3d 1
41 E58 328 1 328 8 parsed_1j3d 1
42 Q59 336 1 336 8 parsed_1j3d 1
43 K60 344 1 344 8 parsed_1j3d 1
44 A61 352 1 352 8 parsed_1j3d 1
45 A62 360 1 360 8 parsed_1j3d 1
46 K63 368 1 368 8 parsed_1j3d 1
47 L64 376 1 376 8 parsed_1j3d 1
48 K65 384 1 384 8 parsed_1j3d 1
49 E66 392 1 392 8 parsed_1j3d 1
50 Y68 400 1 400 8 parsed_1j3d 1
51 E69 408 1 408 8 parsed_1j3d 1
52 K70 416 1 416 8 parsed_1j3d 1
53 D71 424 1 424 8 parsed_1j3d 1
54 I72 432 1 432 8 parsed_1j3d 1
55 A73 440 1 440 8 parsed_1j3d 1
56 A74 448 1 448 8 parsed_1j3d 1
57 Y75 456 1 456 8 parsed_1j3d 1
58 R76 464 1 464 8 parsed_1j3d 1
59 A77 472 1 472 8 parsed_1j3d 1
60 K78 480 1 480 8 parsed_1j3d 1
stop_
save_
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