NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
33867 |
1j3c   |
cing | 2-parsed | STAR | dipolar coupling | 64 |
data_1j3c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1j3c
_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_1j3c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1j3c
_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 1j3c "Master copy" parsed_1j3c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1j3c
_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 1j3c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j3c 1
1 1j3c.mr . . XPLOR/CNS 2 distance NOE simple 1351 parsed_1j3c 1
1 1j3c.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_1j3c 1
1 1j3c.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 64 parsed_1j3c 1
1 1j3c.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j3c 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1j3c
_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 . . . . . . . . . . . . . . . . 1.29 0.95 1.63 . . . 3 . N . 3 . HN parsed_1j3c 1
2 . . . . . . . . . . . . . . . . 0.62 0.16 1.08 . . . 4 . N . 4 . HN parsed_1j3c 1
3 . . . . . . . . . . . . . . . . 6.38 4.92 7.84 . . . 5 . N . 5 . HN parsed_1j3c 1
4 . . . . . . . . . . . . . . . . -3.73 -4.25 -3.21 . . . 7 . N . 7 . HN parsed_1j3c 1
5 . . . . . . . . . . . . . . . . -3.63 -4.72 -2.54 . . . 8 . N . 8 . HN parsed_1j3c 1
6 . . . . . . . . . . . . . . . . 16.94 15.92 17.96 . . . 10 . N . 10 . HN parsed_1j3c 1
7 . . . . . . . . . . . . . . . . -5.56 -6.47 -4.65 . . . 11 . N . 11 . HN parsed_1j3c 1
8 . . . . . . . . . . . . . . . . -8.28 -9.04 -7.52 . . . 14 . N . 14 . HN parsed_1j3c 1
9 . . . . . . . . . . . . . . . . 15.11 13.89 16.33 . . . 15 . N . 15 . HN parsed_1j3c 1
10 . . . . . . . . . . . . . . . . 17.29 16.51 18.07 . . . 16 . N . 16 . HN parsed_1j3c 1
11 . . . . . . . . . . . . . . . . -0.23 -1.52 1.06 . . . 17 . N . 17 . HN parsed_1j3c 1
12 . . . . . . . . . . . . . . . . 10.80 9.59 12.01 . . . 18 . N . 18 . HN parsed_1j3c 1
13 . . . . . . . . . . . . . . . . 19.85 18.90 20.80 . . . 19 . N . 19 . HN parsed_1j3c 1
14 . . . . . . . . . . . . . . . . 8.49 8.07 8.91 . . . 20 . N . 20 . HN parsed_1j3c 1
15 . . . . . . . . . . . . . . . . 0.38 0.15 0.61 . . . 21 . N . 21 . HN parsed_1j3c 1
16 . . . . . . . . . . . . . . . . 20.13 18.95 21.31 . . . 22 . N . 22 . HN parsed_1j3c 1
17 . . . . . . . . . . . . . . . . 9.24 8.22 10.26 . . . 23 . N . 23 . HN parsed_1j3c 1
18 . . . . . . . . . . . . . . . . -12.59 -12.81 -12.37 . . . 24 . N . 24 . HN parsed_1j3c 1
19 . . . . . . . . . . . . . . . . 1.37 0.03 2.71 . . . 26 . N . 26 . HN parsed_1j3c 1
20 . . . . . . . . . . . . . . . . -11.56 -12.68 -10.44 . . . 27 . N . 27 . HN parsed_1j3c 1
21 . . . . . . . . . . . . . . . . -16.03 -16.51 -15.55 . . . 28 . N . 28 . HN parsed_1j3c 1
22 . . . . . . . . . . . . . . . . -9.47 -9.61 -9.33 . . . 29 . N . 29 . HN parsed_1j3c 1
23 . . . . . . . . . . . . . . . . -13.82 -14.54 -13.10 . . . 31 . N . 31 . HN parsed_1j3c 1
24 . . . . . . . . . . . . . . . . 5.28 4.58 5.98 . . . 34 . N . 34 . HN parsed_1j3c 1
25 . . . . . . . . . . . . . . . . 0.15 -1.04 1.34 . . . 35 . N . 35 . HN parsed_1j3c 1
26 . . . . . . . . . . . . . . . . 3.03 1.72 4.34 . . . 38 . N . 38 . HN parsed_1j3c 1
27 . . . . . . . . . . . . . . . . -8.11 -8.62 -7.60 . . . 39 . N . 39 . HN parsed_1j3c 1
28 . . . . . . . . . . . . . . . . -7.82 -8.21 -7.43 . . . 40 . N . 40 . HN parsed_1j3c 1
29 . . . . . . . . . . . . . . . . -6.25 -7.15 -5.35 . . . 41 . N . 41 . HN parsed_1j3c 1
30 . . . . . . . . . . . . . . . . 0.20 0.02 0.38 . . . 42 . N . 42 . HN parsed_1j3c 1
31 . . . . . . . . . . . . . . . . -5.54 -6.51 -4.57 . . . 43 . N . 43 . HN parsed_1j3c 1
32 . . . . . . . . . . . . . . . . -8.81 -9.63 -7.99 . . . 44 . N . 44 . HN parsed_1j3c 1
33 . . . . . . . . . . . . . . . . -3.16 -4.14 -2.18 . . . 45 . N . 45 . HN parsed_1j3c 1
34 . . . . . . . . . . . . . . . . -3.83 -4.36 -3.30 . . . 46 . N . 46 . HN parsed_1j3c 1
35 . . . . . . . . . . . . . . . . -6.98 -8.21 -5.75 . . . 47 . N . 47 . HN parsed_1j3c 1
36 . . . . . . . . . . . . . . . . -8.74 -8.95 -8.53 . . . 48 . N . 48 . HN parsed_1j3c 1
37 . . . . . . . . . . . . . . . . 3.07 2.43 3.71 . . . 49 . N . 49 . HN parsed_1j3c 1
38 . . . . . . . . . . . . . . . . -8.81 -9.36 -8.26 . . . 50 . N . 50 . HN parsed_1j3c 1
39 . . . . . . . . . . . . . . . . 17.03 16.06 18.00 . . . 51 . N . 51 . HN parsed_1j3c 1
40 . . . . . . . . . . . . . . . . -7.68 -8.62 -6.74 . . . 53 . N . 53 . HN parsed_1j3c 1
41 . . . . . . . . . . . . . . . . 6.32 5.30 7.34 . . . 54 . N . 54 . HN parsed_1j3c 1
42 . . . . . . . . . . . . . . . . 9.17 8.10 10.24 . . . 55 . N . 55 . HN parsed_1j3c 1
43 . . . . . . . . . . . . . . . . -12.92 -13.11 -12.73 . . . 56 . N . 56 . HN parsed_1j3c 1
44 . . . . . . . . . . . . . . . . -7.74 -8.14 -7.34 . . . 58 . N . 58 . HN parsed_1j3c 1
45 . . . . . . . . . . . . . . . . -15.48 -16.59 -14.37 . . . 59 . N . 59 . HN parsed_1j3c 1
46 . . . . . . . . . . . . . . . . -18.22 -19.49 -16.95 . . . 60 . N . 60 . HN parsed_1j3c 1
47 . . . . . . . . . . . . . . . . -19.09 -19.69 -18.49 . . . 61 . N . 61 . HN parsed_1j3c 1
48 . . . . . . . . . . . . . . . . -11.49 -12.60 -10.38 . . . 62 . N . 62 . HN parsed_1j3c 1
49 . . . . . . . . . . . . . . . . -17.10 -17.16 -17.04 . . . 63 . N . 63 . HN parsed_1j3c 1
50 . . . . . . . . . . . . . . . . -12.95 -13.74 -12.16 . . . 64 . N . 64 . HN parsed_1j3c 1
51 . . . . . . . . . . . . . . . . -15.41 -16.06 -14.76 . . . 65 . N . 65 . HN parsed_1j3c 1
52 . . . . . . . . . . . . . . . . -16.47 -17.05 -15.89 . . . 66 . N . 66 . HN parsed_1j3c 1
53 . . . . . . . . . . . . . . . . -13.58 -14.74 -12.42 . . . 67 . N . 67 . HN parsed_1j3c 1
54 . . . . . . . . . . . . . . . . -17.41 -17.58 -17.24 . . . 68 . N . 68 . HN parsed_1j3c 1
55 . . . . . . . . . . . . . . . . -15.77 -16.08 -15.46 . . . 69 . N . 69 . HN parsed_1j3c 1
56 . . . . . . . . . . . . . . . . -21.50 -22.75 -20.25 . . . 70 . N . 70 . HN parsed_1j3c 1
57 . . . . . . . . . . . . . . . . -10.86 -11.98 -9.74 . . . 71 . N . 71 . HN parsed_1j3c 1
58 . . . . . . . . . . . . . . . . -20.14 -21.05 -19.23 . . . 72 . N . 72 . HN parsed_1j3c 1
59 . . . . . . . . . . . . . . . . -12.66 -13.02 -12.30 . . . 73 . N . 73 . HN parsed_1j3c 1
60 . . . . . . . . . . . . . . . . -13.77 -14.31 -13.23 . . . 74 . N . 74 . HN parsed_1j3c 1
61 . . . . . . . . . . . . . . . . -7.87 -8.76 -6.98 . . . 76 . N . 76 . HN parsed_1j3c 1
62 . . . . . . . . . . . . . . . . -1.24 -1.56 -0.92 . . . 77 . N . 77 . HN parsed_1j3c 1
63 . . . . . . . . . . . . . . . . 3.13 2.53 3.73 . . . 78 . N . 78 . HN parsed_1j3c 1
64 . . . . . . . . . . . . . . . . -0.24 -0.80 0.32 . . . 79 . N . 79 . HN parsed_1j3c 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
K3
;
2 1 5 8 parsed_1j3c 1
2 K4 13 1 13 8 parsed_1j3c 1
3 D5 21 1 21 8 parsed_1j3c 1
4 N7 29 1 29 8 parsed_1j3c 1
5 A8 37 1 37 8 parsed_1j3c 1
6 K10 45 1 45 8 parsed_1j3c 1
7 R11 53 1 53 8 parsed_1j3c 1
8 S14 61 1 61 8 parsed_1j3c 1
9 A15 69 1 69 8 parsed_1j3c 1
10 F16 77 1 77 8 parsed_1j3c 1
11 F17 85 1 85 8 parsed_1j3c 1
12 L18 93 1 93 8 parsed_1j3c 1
13 F19 101 1 101 8 parsed_1j3c 1
14 C20 109 1 109 8 parsed_1j3c 1
15 S21 117 1 117 8 parsed_1j3c 1
16 E22 125 1 125 8 parsed_1j3c 1
17 Y23 133 1 133 8 parsed_1j3c 1
18 R24 141 1 141 8 parsed_1j3c 1
19 K26 149 1 149 8 parsed_1j3c 1
20 I27 157 1 157 8 parsed_1j3c 1
21 K28 165 1 165 8 parsed_1j3c 1
22 S29 173 1 173 8 parsed_1j3c 1
23 H31 181 1 181 8 parsed_1j3c 1
24 L34 189 1 189 8 parsed_1j3c 1
25 S35 197 1 197 8 parsed_1j3c 1
26 D38 205 1 205 8 parsed_1j3c 1
27 T39 213 1 213 8 parsed_1j3c 1
28 A40 221 1 221 8 parsed_1j3c 1
29 K41 229 1 229 8 parsed_1j3c 1
30 K42 237 1 237 8 parsed_1j3c 1
31 L43 245 1 245 8 parsed_1j3c 1
32 G44 253 1 253 8 parsed_1j3c 1
33 E45 261 1 261 8 parsed_1j3c 1
34 M46 269 1 269 8 parsed_1j3c 1
35 W47 277 1 277 8 parsed_1j3c 1
36 S48 285 1 285 8 parsed_1j3c 1
37 E49 293 1 293 8 parsed_1j3c 1
38 Q50 301 1 301 8 parsed_1j3c 1
39 S51 309 1 309 8 parsed_1j3c 1
40 K53 317 1 317 8 parsed_1j3c 1
41 D54 325 1 325 8 parsed_1j3c 1
42 K55 333 1 333 8 parsed_1j3c 1
43 Q56 341 1 341 8 parsed_1j3c 1
44 Y58 349 1 349 8 parsed_1j3c 1
45 E59 357 1 357 8 parsed_1j3c 1
46 Q60 365 1 365 8 parsed_1j3c 1
47 K61 373 1 373 8 parsed_1j3c 1
48 A62 381 1 381 8 parsed_1j3c 1
49 A63 389 1 389 8 parsed_1j3c 1
50 K64 397 1 397 8 parsed_1j3c 1
51 L65 405 1 405 8 parsed_1j3c 1
52 K66 413 1 413 8 parsed_1j3c 1
53 E67 421 1 421 8 parsed_1j3c 1
54 K68 429 1 429 8 parsed_1j3c 1
55 Y69 437 1 437 8 parsed_1j3c 1
56 E70 445 1 445 8 parsed_1j3c 1
57 K71 453 1 453 8 parsed_1j3c 1
58 D72 461 1 461 8 parsed_1j3c 1
59 I73 469 1 469 8 parsed_1j3c 1
60 A74 477 1 477 8 parsed_1j3c 1
61 Y76 485 1 485 8 parsed_1j3c 1
62 R77 493 1 493 8 parsed_1j3c 1
63 A78 501 1 501 8 parsed_1j3c 1
64 K79 509 1 509 8 parsed_1j3c 1
stop_
save_
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