NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
570675 |
2mhi   |
19634 | cing | 2-parsed | STAR | dipolar coupling | 77 |
data_2mhi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mhi
_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_2mhi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mhi
_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 2mhi "Master copy" parsed_2mhi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mhi
_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 2mhi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mhi 1
1 2mhi.mr . . XPLOR/CNS 2 distance NOE simple 1085 parsed_2mhi 1
1 2mhi.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 77 parsed_2mhi 1
1 2mhi.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mhi 1
1 2mhi.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2mhi 1
1 2mhi.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mhi 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mhi
_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 . . . . . . . . . . . . . . . . -1.086 -3.605 1.433 . . . 1 . C8 . 1 . H8 parsed_2mhi 1
2 . . . . . . . . . . . . . . . . -10.742 -13.332 -8.152 . . . 2 . C1' . 2 . H1' parsed_2mhi 1
3 . . . . . . . . . . . . . . . . -5.078 -7.597 -2.559 . . . 3 . C2 . 3 . H2 parsed_2mhi 1
4 . . . . . . . . . . . . . . . . -7.317 -9.907 -4.727 . . . 3 . C1' . 3 . H1' parsed_2mhi 1
5 . . . . . . . . . . . . . . . . 30.756 28.237 33.275 . . . 4 . C8 . 4 . H8 parsed_2mhi 1
6 . . . . . . . . . . . . . . . . 17.442 14.923 19.961 . . . 4 . C2 . 4 . H2 parsed_2mhi 1
7 . . . . . . . . . . . . . . . . 25.891 23.372 28.410 . . . 5 . C8 . 5 . H8 parsed_2mhi 1
8 . . . . . . . . . . . . . . . . 29.987 27.468 32.506 . . . 5 . C2 . 5 . H2 parsed_2mhi 1
9 . . . . . . . . . . . . . . . . 2.374 -0.216 4.964 . . . 5 . C1' . 5 . H1' parsed_2mhi 1
10 . . . . . . . . . . . . . . . . 1.677 -0.842 4.196 . . . 6 . C6 . 6 . H6 parsed_2mhi 1
11 . . . . . . . . . . . . . . . . 31.241 28.722 33.760 . . . 6 . C5 . 6 . H5 parsed_2mhi 1
12 . . . . . . . . . . . . . . . . 0.682 -1.908 3.272 . . . 6 . C1' . 6 . H1' parsed_2mhi 1
13 . . . . . . . . . . . . . . . . 34.902 32.383 37.421 . . . 10 . C8 . 10 . H8 parsed_2mhi 1
14 . . . . . . . . . . . . . . . . 42.597 37.484 47.710 . . . 10 . N1 . 10 . H1 parsed_2mhi 1
15 . . . . . . . . . . . . . . . . 34.771 32.252 37.290 . . . 11 . C6 . 11 . H6 parsed_2mhi 1
16 . . . . . . . . . . . . . . . . 25.891 23.372 28.410 . . . 11 . C5 . 11 . H5 parsed_2mhi 1
17 . . . . . . . . . . . . . . . . 39.673 37.154 42.192 . . . 12 . C8 . 12 . H8 parsed_2mhi 1
18 . . . . . . . . . . . . . . . . 28.825 23.712 33.938 . . . 12 . N1 . 12 . H1 parsed_2mhi 1
19 . . . . . . . . . . . . . . . . 15.463 12.944 17.982 . . . 15 . C5 . 15 . H5 parsed_2mhi 1
20 . . . . . . . . . . . . . . . . 22.019 19.500 24.538 . . . 16 . C8 . 16 . H8 parsed_2mhi 1
21 . . . . . . . . . . . . . . . . 22.760 20.241 25.279 . . . 17 . C8 . 17 . H8 parsed_2mhi 1
22 . . . . . . . . . . . . . . . . 26.670 21.557 31.783 . . . 17 . N1 . 17 . H1 parsed_2mhi 1
23 . . . . . . . . . . . . . . . . 25.629 23.110 28.148 . . . 19 . C5 . 19 . H5 parsed_2mhi 1
24 . . . . . . . . . . . . . . . . 17.324 14.805 19.843 . . . 20 . C6 . 20 . H6 parsed_2mhi 1
25 . . . . . . . . . . . . . . . . 3.212 0.693 5.731 . . . 20 . C5 . 20 . H5 parsed_2mhi 1
26 . . . . . . . . . . . . . . . . 14.332 11.813 16.851 . . . 21 . C8 . 21 . H8 parsed_2mhi 1
27 . . . . . . . . . . . . . . . . 5.433 2.914 7.952 . . . 22 . C8 . 22 . H8 parsed_2mhi 1
28 . . . . . . . . . . . . . . . . 26.016 23.497 28.535 . . . 23 . C6 . 23 . H6 parsed_2mhi 1
29 . . . . . . . . . . . . . . . . 1.504 -1.015 4.023 . . . 23 . C5 . 23 . H5 parsed_2mhi 1
30 . . . . . . . . . . . . . . . . 26.404 21.291 31.517 . . . 24 . N3 . 24 . H3 parsed_2mhi 1
31 . . . . . . . . . . . . . . . . 20.611 18.092 23.130 . . . 25 . C8 . 25 . H8 parsed_2mhi 1
32 . . . . . . . . . . . . . . . . 13.349 10.830 15.868 . . . 26 . C6 . 26 . H6 parsed_2mhi 1
33 . . . . . . . . . . . . . . . . 30.416 27.897 32.935 . . . 27 . C6 . 27 . H6 parsed_2mhi 1
34 . . . . . . . . . . . . . . . . 28.618 23.505 33.731 . . . 27 . N3 . 27 . H3 parsed_2mhi 1
35 . . . . . . . . . . . . . . . . 28.764 26.245 31.283 . . . 28 . C8 . 28 . H8 parsed_2mhi 1
36 . . . . . . . . . . . . . . . . 42.155 37.042 47.268 . . . 28 . N1 . 28 . H1 parsed_2mhi 1
37 . . . . . . . . . . . . . . . . 37.324 34.805 39.843 . . . 29 . C6 . 29 . H6 parsed_2mhi 1
38 . . . . . . . . . . . . . . . . 25.470 22.951 27.989 . . . 29 . C5 . 29 . H5 parsed_2mhi 1
39 . . . . . . . . . . . . . . . . 0.481 -2.038 3.000 . . . 32 . C8 . 32 . H8 parsed_2mhi 1
40 . . . . . . . . . . . . . . . . 13.032 10.513 15.551 . . . 32 . C2 . 32 . H2 parsed_2mhi 1
41 . . . . . . . . . . . . . . . . 6.179 3.589 8.769 . . . 32 . C1' . 32 . H1' parsed_2mhi 1
42 . . . . . . . . . . . . . . . . -11.172 -13.691 -8.653 . . . 33 . C8 . 33 . H8 parsed_2mhi 1
43 . . . . . . . . . . . . . . . . -12.484 -17.597 -7.371 . . . 33 . N1 . 33 . H1 parsed_2mhi 1
44 . . . . . . . . . . . . . . . . -8.689 -11.208 -6.170 . . . 34 . C8 . 34 . H8 parsed_2mhi 1
45 . . . . . . . . . . . . . . . . -7.132 -9.651 -4.613 . . . 34 . C2 . 34 . H2 parsed_2mhi 1
46 . . . . . . . . . . . . . . . . 10.087 7.568 12.606 . . . 35 . C8 . 35 . H8 parsed_2mhi 1
47 . . . . . . . . . . . . . . . . 17.195 12.082 22.308 . . . 35 . N1 . 35 . H1 parsed_2mhi 1
48 . . . . . . . . . . . . . . . . 5.873 3.354 8.392 . . . 36 . C6 . 36 . H6 parsed_2mhi 1
49 . . . . . . . . . . . . . . . . 12.215 9.696 14.734 . . . 36 . C5 . 36 . H5 parsed_2mhi 1
50 . . . . . . . . . . . . . . . . 7.320 4.730 9.910 . . . 36 . C1' . 36 . H1' parsed_2mhi 1
51 . . . . . . . . . . . . . . . . -0.581 -3.100 1.938 . . . 37 . C5 . 37 . H5 parsed_2mhi 1
52 . . . . . . . . . . . . . . . . -8.659 -11.178 -6.140 . . . 38 . C6 . 38 . H6 parsed_2mhi 1
53 . . . . . . . . . . . . . . . . -10.270 -12.789 -7.751 . . . 38 . C5 . 38 . H5 parsed_2mhi 1
54 . . . . . . . . . . . . . . . . 3.166 0.647 5.685 . . . 40 . C6 . 40 . H6 parsed_2mhi 1
55 . . . . . . . . . . . . . . . . 1.429 -1.090 3.948 . . . 40 . C5 . 40 . H5 parsed_2mhi 1
56 . . . . . . . . . . . . . . . . 16.573 14.054 19.092 . . . 41 . C6 . 41 . H6 parsed_2mhi 1
57 . . . . . . . . . . . . . . . . -2.148 -4.667 0.371 . . . 41 . C5 . 41 . H5 parsed_2mhi 1
58 . . . . . . . . . . . . . . . . 2.288 -0.231 4.807 . . . 42 . C6 . 42 . H6 parsed_2mhi 1
59 . . . . . . . . . . . . . . . . 17.710 15.191 20.229 . . . 42 . C5 . 42 . H5 parsed_2mhi 1
60 . . . . . . . . . . . . . . . . 5.366 0.253 10.479 . . . 42 . N3 . 42 . H3 parsed_2mhi 1
61 . . . . . . . . . . . . . . . . 3.569 0.979 6.159 . . . 42 . C1' . 42 . H1' parsed_2mhi 1
62 . . . . . . . . . . . . . . . . 16.652 14.133 19.171 . . . 43 . C5 . 43 . H5 parsed_2mhi 1
63 . . . . . . . . . . . . . . . . -1.219 -3.738 1.300 . . . 44 . C6 . 44 . H6 parsed_2mhi 1
64 . . . . . . . . . . . . . . . . 3.317 0.798 5.836 . . . 44 . C5 . 44 . H5 parsed_2mhi 1
65 . . . . . . . . . . . . . . . . -5.293 -7.812 -2.774 . . . 48 . C8 . 48 . H8 parsed_2mhi 1
66 . . . . . . . . . . . . . . . . 9.319 4.206 14.432 . . . 48 . N1 . 48 . H1 parsed_2mhi 1
67 . . . . . . . . . . . . . . . . -0.503 -3.022 2.016 . . . 49 . C6 . 49 . H6 parsed_2mhi 1
68 . . . . . . . . . . . . . . . . -9.274 -11.793 -6.755 . . . 49 . C5 . 49 . H5 parsed_2mhi 1
69 . . . . . . . . . . . . . . . . 14.634 9.521 19.747 . . . 49 . N3 . 49 . H3 parsed_2mhi 1
70 . . . . . . . . . . . . . . . . 0.779 -1.740 3.298 . . . 50 . C5 . 50 . H5 parsed_2mhi 1
71 . . . . . . . . . . . . . . . . 32.458 27.345 37.571 . . . 50 . N3 . 50 . H3 parsed_2mhi 1
72 . . . . . . . . . . . . . . . . -15.208 -17.798 -12.618 . . . 50 . C1' . 50 . H1' parsed_2mhi 1
73 . . . . . . . . . . . . . . . . 18.995 16.476 21.514 . . . 51 . C5 . 51 . H5 parsed_2mhi 1
74 . . . . . . . . . . . . . . . . 22.032 16.919 27.145 . . . 51 . N3 . 51 . H3 parsed_2mhi 1
75 . . . . . . . . . . . . . . . . 30.255 27.736 32.774 . . . 52 . C5 . 52 . H5 parsed_2mhi 1
76 . . . . . . . . . . . . . . . . -3.769 -6.288 -1.250 . . . 53 . C6 . 53 . H6 parsed_2mhi 1
77 . . . . . . . . . . . . . . . . 23.319 20.800 25.838 . . . 53 . C5 . 53 . H5 parsed_2mhi 1
stop_
save_
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