NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
573211 |
2rtu   |
11532 | cing | 2-parsed | STAR | dipolar coupling | 101 |
data_2rtu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rtu
_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_2rtu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rtu
_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 2rtu "Master copy" parsed_2rtu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rtu
_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 2rtu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rtu 1
1 2rtu.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 101 parsed_2rtu 1
1 2rtu.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rtu 1
1 2rtu.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2rtu 1
1 2rtu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rtu 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2rtu
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 6.720 . . . . . 13 . C . 14 . HN parsed_2rtu 1
2 . . . . . . . . . . . . . . . . -0.000 . . . . . 15 . C . 16 . HN parsed_2rtu 1
3 . . . . . . . . . . . . . . . . -0.000 . . . . . 16 . C . 17 . HN parsed_2rtu 1
4 . . . . . . . . . . . . . . . . 4.480 . . . . . 17 . C . 18 . HN parsed_2rtu 1
5 . . . . . . . . . . . . . . . . 15.680 . . . . . 18 . C . 19 . HN parsed_2rtu 1
6 . . . . . . . . . . . . . . . . -4.480 . . . . . 23 . C . 24 . HN parsed_2rtu 1
7 . . . . . . . . . . . . . . . . 4.480 . . . . . 24 . C . 25 . HN parsed_2rtu 1
8 . . . . . . . . . . . . . . . . 2.240 . . . . . 25 . C . 26 . HN parsed_2rtu 1
9 . . . . . . . . . . . . . . . . 2.240 . . . . . 28 . C . 29 . HN parsed_2rtu 1
10 . . . . . . . . . . . . . . . . -0.000 . . . . . 31 . C . 32 . HN parsed_2rtu 1
11 . . . . . . . . . . . . . . . . 8.960 . . . . . 32 . C . 33 . HN parsed_2rtu 1
12 . . . . . . . . . . . . . . . . 2.240 . . . . . 37 . C . 38 . HN parsed_2rtu 1
13 . . . . . . . . . . . . . . . . -4.480 . . . . . 38 . C . 39 . HN parsed_2rtu 1
14 . . . . . . . . . . . . . . . . -0.000 . . . . . 39 . C . 40 . HN parsed_2rtu 1
15 . . . . . . . . . . . . . . . . -11.200 . . . . . 40 . C . 41 . HN parsed_2rtu 1
16 . . . . . . . . . . . . . . . . 4.480 . . . . . 41 . C . 42 . HN parsed_2rtu 1
17 . . . . . . . . . . . . . . . . -6.720 . . . . . 42 . C . 43 . HN parsed_2rtu 1
18 . . . . . . . . . . . . . . . . -2.240 . . . . . 43 . C . 44 . HN parsed_2rtu 1
19 . . . . . . . . . . . . . . . . -2.240 . . . . . 44 . C . 45 . HN parsed_2rtu 1
20 . . . . . . . . . . . . . . . . -6.720 . . . . . 47 . C . 48 . HN parsed_2rtu 1
21 . . . . . . . . . . . . . . . . 4.480 . . . . . 48 . C . 49 . HN parsed_2rtu 1
22 . . . . . . . . . . . . . . . . -8.960 . . . . . 49 . C . 50 . HN parsed_2rtu 1
23 . . . . . . . . . . . . . . . . 6.720 . . . . . 50 . C . 51 . HN parsed_2rtu 1
24 . . . . . . . . . . . . . . . . 2.240 . . . . . 51 . C . 52 . HN parsed_2rtu 1
25 . . . . . . . . . . . . . . . . 6.720 . . . . . 55 . C . 56 . HN parsed_2rtu 1
26 . . . . . . . . . . . . . . . . 4.480 . . . . . 56 . C . 57 . HN parsed_2rtu 1
27 . . . . . . . . . . . . . . . . 8.960 . . . . . 59 . C . 60 . HN parsed_2rtu 1
28 . . . . . . . . . . . . . . . . 5.893 . . . . . 13 . C . 14 . N parsed_2rtu 1
29 . . . . . . . . . . . . . . . . -10.043 . . . . . 15 . C . 16 . N parsed_2rtu 1
30 . . . . . . . . . . . . . . . . -1.162 . . . . . 16 . C . 17 . N parsed_2rtu 1
31 . . . . . . . . . . . . . . . . -3.569 . . . . . 17 . C . 18 . N parsed_2rtu 1
32 . . . . . . . . . . . . . . . . 32.370 . . . . . 18 . C . 19 . N parsed_2rtu 1
33 . . . . . . . . . . . . . . . . -8.217 . . . . . 23 . C . 24 . N parsed_2rtu 1
34 . . . . . . . . . . . . . . . . -0.000 . . . . . 24 . C . 25 . N parsed_2rtu 1
35 . . . . . . . . . . . . . . . . 5.312 . . . . . 25 . C . 26 . N parsed_2rtu 1
36 . . . . . . . . . . . . . . . . 0.000 . . . . . 28 . C . 29 . N parsed_2rtu 1
37 . . . . . . . . . . . . . . . . 4.731 . . . . . 31 . C . 32 . N parsed_2rtu 1
38 . . . . . . . . . . . . . . . . 1.743 . . . . . 32 . C . 33 . N parsed_2rtu 1
39 . . . . . . . . . . . . . . . . 2.905 . . . . . 37 . C . 38 . N parsed_2rtu 1
40 . . . . . . . . . . . . . . . . -5.312 . . . . . 38 . C . 39 . N parsed_2rtu 1
41 . . . . . . . . . . . . . . . . 2.905 . . . . . 39 . C . 40 . N parsed_2rtu 1
42 . . . . . . . . . . . . . . . . -14.110 . . . . . 40 . C . 41 . N parsed_2rtu 1
43 . . . . . . . . . . . . . . . . 4.150 . . . . . 41 . C . 42 . N parsed_2rtu 1
44 . . . . . . . . . . . . . . . . -0.581 . . . . . 42 . C . 43 . N parsed_2rtu 1
45 . . . . . . . . . . . . . . . . 3.569 . . . . . 43 . C . 44 . N parsed_2rtu 1
46 . . . . . . . . . . . . . . . . -5.893 . . . . . 44 . C . 45 . N parsed_2rtu 1
47 . . . . . . . . . . . . . . . . -16.517 . . . . . 47 . C . 48 . N parsed_2rtu 1
48 . . . . . . . . . . . . . . . . 7.636 . . . . . 48 . C . 49 . N parsed_2rtu 1
49 . . . . . . . . . . . . . . . . 0.581 . . . . . 49 . C . 50 . N parsed_2rtu 1
50 . . . . . . . . . . . . . . . . 9.462 . . . . . 50 . C . 51 . N parsed_2rtu 1
51 . . . . . . . . . . . . . . . . -17.679 . . . . . 51 . C . 52 . N parsed_2rtu 1
52 . . . . . . . . . . . . . . . . 6.474 . . . . . 55 . C . 56 . N parsed_2rtu 1
53 . . . . . . . . . . . . . . . . 1.743 . . . . . 56 . C . 57 . N parsed_2rtu 1
54 . . . . . . . . . . . . . . . . 4.150 . . . . . 59 . C . 60 . N parsed_2rtu 1
55 . . . . . . . . . . . . . . . . 0.570 . . . . . 14 . N . 14 . HN parsed_2rtu 1
56 . . . . . . . . . . . . . . . . 12.210 . . . . . 16 . N . 16 . HN parsed_2rtu 1
57 . . . . . . . . . . . . . . . . 6.600 . . . . . 17 . N . 17 . HN parsed_2rtu 1
58 . . . . . . . . . . . . . . . . 2.980 . . . . . 18 . N . 18 . HN parsed_2rtu 1
59 . . . . . . . . . . . . . . . . 3.340 . . . . . 19 . N . 19 . HN parsed_2rtu 1
60 . . . . . . . . . . . . . . . . -6.880 . . . . . 20 . N . 20 . HN parsed_2rtu 1
61 . . . . . . . . . . . . . . . . -2.130 . . . . . 21 . N . 21 . HN parsed_2rtu 1
62 . . . . . . . . . . . . . . . . -5.320 . . . . . 23 . N . 23 . HN parsed_2rtu 1
63 . . . . . . . . . . . . . . . . -2.630 . . . . . 24 . N . 24 . HN parsed_2rtu 1
64 . . . . . . . . . . . . . . . . 4.540 . . . . . 25 . N . 25 . HN parsed_2rtu 1
65 . . . . . . . . . . . . . . . . 0.070 . . . . . 26 . N . 26 . HN parsed_2rtu 1
66 . . . . . . . . . . . . . . . . -11.320 . . . . . 27 . N . 27 . HN parsed_2rtu 1
67 . . . . . . . . . . . . . . . . 3.340 . . . . . 29 . N . 29 . HN parsed_2rtu 1
68 . . . . . . . . . . . . . . . . -4.010 . . . . . 30 . N . 30 . HN parsed_2rtu 1
69 . . . . . . . . . . . . . . . . -8.870 . . . . . 31 . N . 31 . HN parsed_2rtu 1
70 . . . . . . . . . . . . . . . . 1.850 . . . . . 32 . N . 32 . HN parsed_2rtu 1
71 . . . . . . . . . . . . . . . . 3.900 . . . . . 33 . N . 33 . HN parsed_2rtu 1
72 . . . . . . . . . . . . . . . . -12.420 . . . . . 34 . N . 34 . HN parsed_2rtu 1
73 . . . . . . . . . . . . . . . . -10.680 . . . . . 36 . N . 36 . HN parsed_2rtu 1
74 . . . . . . . . . . . . . . . . -1.210 . . . . . 38 . N . 38 . HN parsed_2rtu 1
75 . . . . . . . . . . . . . . . . 0.000 . . . . . 39 . N . 39 . HN parsed_2rtu 1
76 . . . . . . . . . . . . . . . . -2.770 . . . . . 40 . N . 40 . HN parsed_2rtu 1
77 . . . . . . . . . . . . . . . . -1.210 . . . . . 41 . N . 41 . HN parsed_2rtu 1
78 . . . . . . . . . . . . . . . . 0.990 . . . . . 42 . N . 42 . HN parsed_2rtu 1
79 . . . . . . . . . . . . . . . . 3.970 . . . . . 43 . N . 43 . HN parsed_2rtu 1
80 . . . . . . . . . . . . . . . . -1.350 . . . . . 44 . N . 44 . HN parsed_2rtu 1
81 . . . . . . . . . . . . . . . . 1.920 . . . . . 45 . N . 45 . HN parsed_2rtu 1
82 . . . . . . . . . . . . . . . . 3.760 . . . . . 47 . N . 47 . HN parsed_2rtu 1
83 . . . . . . . . . . . . . . . . 1.560 . . . . . 48 . N . 48 . HN parsed_2rtu 1
84 . . . . . . . . . . . . . . . . 3.690 . . . . . 49 . N . 49 . HN parsed_2rtu 1
85 . . . . . . . . . . . . . . . . 3.690 . . . . . 50 . N . 50 . HN parsed_2rtu 1
86 . . . . . . . . . . . . . . . . 0.640 . . . . . 51 . N . 51 . HN parsed_2rtu 1
87 . . . . . . . . . . . . . . . . 1.140 . . . . . 52 . N . 52 . HN parsed_2rtu 1
88 . . . . . . . . . . . . . . . . 4.400 . . . . . 56 . N . 56 . HN parsed_2rtu 1
89 . . . . . . . . . . . . . . . . 1.630 . . . . . 57 . N . 57 . HN parsed_2rtu 1
90 . . . . . . . . . . . . . . . . -9.870 . . . . . 58 . N . 58 . HN parsed_2rtu 1
91 . . . . . . . . . . . . . . . . 0.640 . . . . . 60 . N . 60 . HN parsed_2rtu 1
92 . . . . . . . . . . . . . . . . -3.760 . . . . . 65 . N . 65 . HN parsed_2rtu 1
93 . . . . . . . . . . . . . . . . -13.630 . . . . . 66 . N . 66 . HN parsed_2rtu 1
94 . . . . . . . . . . . . . . . . -0.780 . . . . . 71 . N . 71 . HN parsed_2rtu 1
95 . . . . . . . . . . . . . . . . -11.990 . . . . . 72 . N . 72 . HN parsed_2rtu 1
96 . . . . . . . . . . . . . . . . -1.140 . . . . . 73 . N . 73 . HN parsed_2rtu 1
97 . . . . . . . . . . . . . . . . -10.110 . . . . . 75 . N . 75 . HN parsed_2rtu 1
98 . . . . . . . . . . . . . . . . -2.520 . . . . . 76 . N . 76 . HN parsed_2rtu 1
99 . . . . . . . . . . . . . . . . -11.390 . . . . . 77 . N . 77 . HN parsed_2rtu 1
100 . . . . . . . . . . . . . . . . -7.910 . . . . . 78 . N . 78 . HN parsed_2rtu 1
101 . . . . . . . . . . . . . . . . -10.970 . . . . . 79 . N . 79 . HN parsed_2rtu 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
;
! hmgb1a-SS in C12E5 RDC : 34
! G14
;
1 1 3 8 parsed_2rtu 1
2 "! M16" 10 1 10 8 parsed_2rtu 1
3 "! S17" 17 1 17 8 parsed_2rtu 1
4 "! S18" 24 1 24 8 parsed_2rtu 1
5 "! Y19" 31 1 31 8 parsed_2rtu 1
6 "! Q24" 38 1 38 8 parsed_2rtu 1
7 "! T25" 45 1 45 8 parsed_2rtu 1
8 "! C26" 52 1 52 8 parsed_2rtu 1
9 "! E29" 59 1 59 8 parsed_2rtu 1
10 "! K32" 66 1 66 8 parsed_2rtu 1
11 "! K33" 73 1 73 8 parsed_2rtu 1
12 "! S38" 80 1 80 8 parsed_2rtu 1
13 "! V39" 87 1 87 8 parsed_2rtu 1
14 "! N40" 94 1 94 8 parsed_2rtu 1
15 "! F41" 101 1 101 8 parsed_2rtu 1
16 "! S42" 108 1 108 8 parsed_2rtu 1
17 "! E43" 115 1 115 8 parsed_2rtu 1
18 "! F44" 122 1 122 8 parsed_2rtu 1
19 "! S45" 129 1 129 8 parsed_2rtu 1
20 "! C48" 136 1 136 8 parsed_2rtu 1
21 "! S49" 143 1 143 8 parsed_2rtu 1
22 "! E50" 150 1 150 8 parsed_2rtu 1
23 "! R51" 157 1 157 8 parsed_2rtu 1
24 "! W52" 164 1 164 8 parsed_2rtu 1
25 "! S56" 171 1 171 8 parsed_2rtu 1
26 "! A57" 178 1 178 8 parsed_2rtu 1
27 "! K60" 185 1 185 8 parsed_2rtu 1
28
;
! hmgb1a-SS in C12E5 RDC : 34
! G14
;
192 1 194 8 parsed_2rtu 1
29 "! M16" 201 1 201 8 parsed_2rtu 1
30 "! S17" 208 1 208 8 parsed_2rtu 1
31 "! S18" 215 1 215 8 parsed_2rtu 1
32 "! Y19" 222 1 222 8 parsed_2rtu 1
33 "! Q24" 229 1 229 8 parsed_2rtu 1
34 "! T25" 236 1 236 8 parsed_2rtu 1
35 "! C26" 243 1 243 8 parsed_2rtu 1
36 "! E29" 250 1 250 8 parsed_2rtu 1
37 "! K32" 257 1 257 8 parsed_2rtu 1
38 "! K33" 264 1 264 8 parsed_2rtu 1
39 "! S38" 271 1 271 8 parsed_2rtu 1
40 "! V39" 278 1 278 8 parsed_2rtu 1
41 "! N40" 285 1 285 8 parsed_2rtu 1
42 "! F41" 292 1 292 8 parsed_2rtu 1
43 "! S42" 299 1 299 8 parsed_2rtu 1
44 "! E43" 306 1 306 8 parsed_2rtu 1
45 "! F44" 313 1 313 8 parsed_2rtu 1
46 "! S45" 320 1 320 8 parsed_2rtu 1
47 "! C48" 327 1 327 8 parsed_2rtu 1
48 "! S49" 334 1 334 8 parsed_2rtu 1
49 "! E50" 341 1 341 8 parsed_2rtu 1
50 "! R51" 348 1 348 8 parsed_2rtu 1
51 "! W52" 355 1 355 8 parsed_2rtu 1
52 "! S56" 362 1 362 8 parsed_2rtu 1
53 "! A57" 369 1 369 8 parsed_2rtu 1
54 "! K60" 376 1 376 8 parsed_2rtu 1
55
;
! hmgb1a-SS in C12E5 RDC : 55
! G14
;
383 1 385 8 parsed_2rtu 1
56 "! M16" 392 1 392 8 parsed_2rtu 1
57 "! S17" 399 1 399 8 parsed_2rtu 1
58 "! S18" 406 1 406 8 parsed_2rtu 1
59 "! Y19" 413 1 413 8 parsed_2rtu 1
60 "! A20" 420 1 420 8 parsed_2rtu 1
61 "! F21" 427 1 427 8 parsed_2rtu 1
62 "! V23" 434 1 434 8 parsed_2rtu 1
63 "! Q24" 441 1 441 8 parsed_2rtu 1
64 "! T25" 448 1 448 8 parsed_2rtu 1
65 "! C26" 455 1 455 8 parsed_2rtu 1
66 "! R27" 462 1 462 8 parsed_2rtu 1
67 "! E29" 469 1 469 8 parsed_2rtu 1
68 "! H30" 476 1 476 8 parsed_2rtu 1
69 "! K31" 483 1 483 8 parsed_2rtu 1
70 "! K32" 490 1 490 8 parsed_2rtu 1
71 "! K33" 497 1 497 8 parsed_2rtu 1
72 "! H34" 504 1 504 8 parsed_2rtu 1
73 "! D36" 511 1 511 8 parsed_2rtu 1
74 "! S38" 518 1 518 8 parsed_2rtu 1
75 "! V39" 525 1 525 8 parsed_2rtu 1
76 "! N40" 532 1 532 8 parsed_2rtu 1
77 "! F41" 539 1 539 8 parsed_2rtu 1
78 "! S42" 546 1 546 8 parsed_2rtu 1
79 "! E43" 553 1 553 8 parsed_2rtu 1
80 "! F44" 560 1 560 8 parsed_2rtu 1
81 "! S45" 567 1 567 8 parsed_2rtu 1
82 "! K47" 574 1 574 8 parsed_2rtu 1
83 "! C48" 581 1 581 8 parsed_2rtu 1
84 "! S49" 588 1 588 8 parsed_2rtu 1
85 "! E50" 595 1 595 8 parsed_2rtu 1
86 "! R51" 602 1 602 8 parsed_2rtu 1
87 "! W52" 609 1 609 8 parsed_2rtu 1
88 "! S56" 616 1 616 8 parsed_2rtu 1
89 "! A57" 623 1 623 8 parsed_2rtu 1
90 "! K58" 630 1 630 8 parsed_2rtu 1
91 "! K60" 637 1 637 8 parsed_2rtu 1
92 "! D65" 644 1 644 8 parsed_2rtu 1
93 "! M66" 651 1 651 8 parsed_2rtu 1
94 "! K71" 658 1 658 8 parsed_2rtu 1
95 "! A72" 665 1 665 8 parsed_2rtu 1
96 "! R73" 672 1 672 8 parsed_2rtu 1
97 "! E75" 679 1 679 8 parsed_2rtu 1
98 "! R76" 686 1 686 8 parsed_2rtu 1
99 "! E77" 693 1 693 8 parsed_2rtu 1
100 "! M78" 700 1 700 8 parsed_2rtu 1
101 "! K79" 707 1 707 8 parsed_2rtu 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 1:37:17 AM GMT (wattos1)