NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
588081 |
2mnh   |
19892 | cing | 2-parsed | STAR | dipolar coupling | 87 |
data_2mnh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mnh
_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_2mnh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mnh
_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 2mnh "Master copy" parsed_2mnh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mnh
_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 2mnh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mnh 1
1 2mnh.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 194 parsed_2mnh 1
1 2mnh.mr . . XPLOR/CNS 3 distance NOE simple 58 parsed_2mnh 1
1 2mnh.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 170 parsed_2mnh 1
1 2mnh.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 170 parsed_2mnh 1
1 2mnh.mr . . DYANA/DIANA 6 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2mnh 1
1 2mnh.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mnh 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mnh
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . -3.580 . . 0.686 . . 2 THR N . 2 THR H parsed_2mnh 1
2 . . . . . . . . . . . . . . . . -4.340 . . 1.071 . . 4 THR N . 4 THR H parsed_2mnh 1
3 . . . . . . . . . . . . . . . . 1.660 . . 0.651 . . 5 VAL N . 5 VAL H parsed_2mnh 1
4 . . . . . . . . . . . . . . . . -0.060 . . 0.871 . . 6 THR N . 6 THR H parsed_2mnh 1
5 . . . . . . . . . . . . . . . . -7.260 . . 0.572 . . 7 GLY N . 7 GLY H parsed_2mnh 1
6 . . . . . . . . . . . . . . . . -1.540 . . 0.626 . . 8 GLY N . 8 GLY H parsed_2mnh 1
7 . . . . . . . . . . . . . . . . -2.500 . . 0.435 . . 14 ALA N . 14 ALA H parsed_2mnh 1
8 . . . . . . . . . . . . . . . . -4.700 . . 0.402 . . 16 GLY N . 16 GLY H parsed_2mnh 1
9 . . . . . . . . . . . . . . . . 6.340 . . 0.649 . . 17 GLN N . 17 GLN H parsed_2mnh 1
10 . . . . . . . . . . . . . . . . 9.940 . . 0.530 . . 19 ASN N . 19 ASN H parsed_2mnh 1
11 . . . . . . . . . . . . . . . . -10.740 . . 0.683 . . 20 LYS N . 20 LYS H parsed_2mnh 1
12 . . . . . . . . . . . . . . . . -10.000 . . 0.933 . . 21 MET N . 21 MET H parsed_2mnh 1
13 . . . . . . . . . . . . . . . . 2.760 . . 0.431 . . 22 GLY N . 22 GLY H parsed_2mnh 1
14 . . . . . . . . . . . . . . . . -5.820 . . 0.837 . . 23 GLY N . 23 GLY H parsed_2mnh 1
15 . . . . . . . . . . . . . . . . -8.680 . . 0.721 . . 25 ASN N . 25 ASN H parsed_2mnh 1
16 . . . . . . . . . . . . . . . . -0.040 . . 0.857 . . 26 LEU N . 26 LEU H parsed_2mnh 1
17 . . . . . . . . . . . . . . . . -5.760 . . 0.796 . . 27 LYS N . 27 LYS H parsed_2mnh 1
18 . . . . . . . . . . . . . . . . -3.360 . . 0.903 . . 28 TYR N . 28 TYR H parsed_2mnh 1
19 . . . . . . . . . . . . . . . . 0.000 . . 0.657 . . 30 TYR N . 30 TYR H parsed_2mnh 1
20 . . . . . . . . . . . . . . . . -6.180 . . 0.639 . . 31 GLU N . 31 GLU H parsed_2mnh 1
21 . . . . . . . . . . . . . . . . -2.740 . . 0.428 . . 32 GLU N . 32 GLU H parsed_2mnh 1
22 . . . . . . . . . . . . . . . . -3.080 . . 0.425 . . 33 ASP N . 33 ASP H parsed_2mnh 1
23 . . . . . . . . . . . . . . . . -5.340 . . 0.326 . . 35 SER N . 35 SER H parsed_2mnh 1
24 . . . . . . . . . . . . . . . . 23.840 . . 0.535 . . 37 LEU N . 37 LEU H parsed_2mnh 1
25 . . . . . . . . . . . . . . . . -1.420 . . 0.684 . . 38 GLY N . 38 GLY H parsed_2mnh 1
26 . . . . . . . . . . . . . . . . 5.460 . . 0.661 . . 39 VAL N . 39 VAL H parsed_2mnh 1
27 . . . . . . . . . . . . . . . . 0.100 . . 0.642 . . 40 ILE N . 40 ILE H parsed_2mnh 1
28 . . . . . . . . . . . . . . . . 1.160 . . 0.557 . . 41 GLY N . 41 GLY H parsed_2mnh 1
29 . . . . . . . . . . . . . . . . -7.780 . . 0.803 . . 43 PHE N . 43 PHE H parsed_2mnh 1
30 . . . . . . . . . . . . . . . . -11.940 . . 1.033 . . 44 THR N . 44 THR H parsed_2mnh 1
31 . . . . . . . . . . . . . . . . -5.720 . . 0.557 . . 45 TYR N . 45 TYR H parsed_2mnh 1
32 . . . . . . . . . . . . . . . . -6.520 . . 0.772 . . 47 GLU N . 47 GLU H parsed_2mnh 1
33 . . . . . . . . . . . . . . . . -0.420 . . 0.281 . . 55 GLY N . 55 GLY H parsed_2mnh 1
34 . . . . . . . . . . . . . . . . 3.980 . . 0.137 . . 56 ASP N . 56 ASP H parsed_2mnh 1
35 . . . . . . . . . . . . . . . . -1.720 . . 0.241 . . 58 ASN N . 58 ASN H parsed_2mnh 1
36 . . . . . . . . . . . . . . . . -12.020 . . 0.235 . . 59 LYS N . 59 LYS H parsed_2mnh 1
37 . . . . . . . . . . . . . . . . -1.500 . . 0.305 . . 60 ASN N . 60 ASN H parsed_2mnh 1
38 . . . . . . . . . . . . . . . . -14.220 . . 0.823 . . 61 GLN N . 61 GLN H parsed_2mnh 1
39 . . . . . . . . . . . . . . . . 9.420 . . 0.611 . . 63 TYR N . 63 TYR H parsed_2mnh 1
40 . . . . . . . . . . . . . . . . -1.940 . . 0.920 . . 64 GLY N . 64 GLY H parsed_2mnh 1
41 . . . . . . . . . . . . . . . . 2.240 . . 0.594 . . 65 ILE N . 65 ILE H parsed_2mnh 1
42 . . . . . . . . . . . . . . . . -1.800 . . 0.823 . . 66 THR N . 66 THR H parsed_2mnh 1
43 . . . . . . . . . . . . . . . . -4.560 . . 0.682 . . 67 ALA N . 67 ALA H parsed_2mnh 1
44 . . . . . . . . . . . . . . . . -0.540 . . 0.612 . . 68 GLY N . 68 GLY H parsed_2mnh 1
45 . . . . . . . . . . . . . . . . 5.340 . . 0.126 . . 70 ALA N . 70 ALA H parsed_2mnh 1
46 . . . . . . . . . . . . . . . . 10.620 . . 0.709 . . 71 TYR N . 71 TYR H parsed_2mnh 1
47 . . . . . . . . . . . . . . . . -6.840 . . 0.806 . . 72 ARG N . 72 ARG H parsed_2mnh 1
48 . . . . . . . . . . . . . . . . 6.700 . . 0.509 . . 80 TYR N . 80 TYR H parsed_2mnh 1
49 . . . . . . . . . . . . . . . . 12.780 . . 0.685 . . 81 GLY N . 81 GLY H parsed_2mnh 1
50 . . . . . . . . . . . . . . . . 10.600 . . 1.214 . . 83 VAL N . 83 VAL H parsed_2mnh 1
51 . . . . . . . . . . . . . . . . 6.000 . . 0.590 . . 84 GLY N . 84 GLY H parsed_2mnh 1
52 . . . . . . . . . . . . . . . . 5.960 . . 0.516 . . 85 VAL N . 85 VAL H parsed_2mnh 1
53 . . . . . . . . . . . . . . . . -12.400 . . 0.915 . . 86 GLY N . 86 GLY H parsed_2mnh 1
54 . . . . . . . . . . . . . . . . -9.860 . . 0.389 . . 91 GLN N . 91 GLN H parsed_2mnh 1
55 . . . . . . . . . . . . . . . . -3.440 . . 0.447 . . 95 TYR N . 95 TYR H parsed_2mnh 1
56 . . . . . . . . . . . . . . . . -7.040 . . 0.444 . . 99 LYS N . 99 LYS H parsed_2mnh 1
57 . . . . . . . . . . . . . . . . 3.180 . . 1.059 . . 102 THR N . 102 THR H parsed_2mnh 1
58 . . . . . . . . . . . . . . . . -7.120 . . 0.354 . . 103 SER N . 103 SER H parsed_2mnh 1
59 . . . . . . . . . . . . . . . . -19.160 . . 0.659 . . 104 ASP N . 104 ASP H parsed_2mnh 1
60 . . . . . . . . . . . . . . . . -14.880 . . 0.871 . . 105 TYR N . 105 TYR H parsed_2mnh 1
61 . . . . . . . . . . . . . . . . 4.360 . . 1.156 . . 106 GLY N . 106 GLY H parsed_2mnh 1
62 . . . . . . . . . . . . . . . . 8.400 . . 0.874 . . 107 PHE N . 107 PHE H parsed_2mnh 1
63 . . . . . . . . . . . . . . . . 2.780 . . 0.534 . . 109 TYR N . 109 TYR H parsed_2mnh 1
64 . . . . . . . . . . . . . . . . 8.760 . . 0.923 . . 110 GLY N . 110 GLY H parsed_2mnh 1
65 . . . . . . . . . . . . . . . . 16.180 . . 0.728 . . 112 GLY N . 112 GLY H parsed_2mnh 1
66 . . . . . . . . . . . . . . . . 1.140 . . 0.509 . . 113 LEU N . 113 LEU H parsed_2mnh 1
67 . . . . . . . . . . . . . . . . -1.480 . . 0.742 . . 114 GLN N . 114 GLN H parsed_2mnh 1
68 . . . . . . . . . . . . . . . . -5.660 . . 1.477 . . 116 ASN N . 116 ASN H parsed_2mnh 1
69 . . . . . . . . . . . . . . . . -13.980 . . 1.273 . . 118 MET N . 118 MET H parsed_2mnh 1
70 . . . . . . . . . . . . . . . . -19.820 . . 1.010 . . 120 ASN N . 120 ASN H parsed_2mnh 1
71 . . . . . . . . . . . . . . . . 4.700 . . 0.783 . . 121 VAL N . 121 VAL H parsed_2mnh 1
72 . . . . . . . . . . . . . . . . -3.420 . . 0.564 . . 122 ALA N . 122 ALA H parsed_2mnh 1
73 . . . . . . . . . . . . . . . . 2.920 . . 0.407 . . 123 LEU N . 123 LEU H parsed_2mnh 1
74 . . . . . . . . . . . . . . . . -2.400 . . 0.594 . . 124 ASP N . 124 ASP H parsed_2mnh 1
75 . . . . . . . . . . . . . . . . -0.240 . . 0.549 . . 125 PHE N . 125 PHE H parsed_2mnh 1
76 . . . . . . . . . . . . . . . . 1.020 . . 0.804 . . 132 ILE N . 132 ILE H parsed_2mnh 1
77 . . . . . . . . . . . . . . . . 11.560 . . 0.765 . . 133 ARG N . 133 ARG H parsed_2mnh 1
78 . . . . . . . . . . . . . . . . 1.620 . . 0.586 . . 135 VAL N . 135 VAL H parsed_2mnh 1
79 . . . . . . . . . . . . . . . . 7.600 . . 0.534 . . 136 ASP N . 136 ASP H parsed_2mnh 1
80 . . . . . . . . . . . . . . . . 4.680 . . 0.609 . . 137 VAL N . 137 VAL H parsed_2mnh 1
81 . . . . . . . . . . . . . . . . -0.200 . . 0.430 . . 138 GLY N . 138 GLY H parsed_2mnh 1
82 . . . . . . . . . . . . . . . . -4.180 . . 0.844 . . 143 GLY N . 143 GLY H parsed_2mnh 1
83 . . . . . . . . . . . . . . . . 2.900 . . 0.628 . . 144 VAL N . 144 VAL H parsed_2mnh 1
84 . . . . . . . . . . . . . . . . -9.000 . . 0.587 . . 145 GLY N . 145 GLY H parsed_2mnh 1
85 . . . . . . . . . . . . . . . . -2.020 . . 0.195 . . 146 TYR N . 146 TYR H parsed_2mnh 1
86 . . . . . . . . . . . . . . . . -11.400 . . 0.748 . . 147 ARG N . 147 ARG H parsed_2mnh 1
87 . . . . . . . . . . . . . . . . 2.260 . . 0.682 . . 148 PHE N . 148 PHE H parsed_2mnh 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 "#######################" 1 1 1 25 parsed_2mnh 1
2 "RDC restraints #" 3 1 3 25 parsed_2mnh 1
3 "#######################" 5 1 5 25 parsed_2mnh 1
4 "First atom Second atom RDC Error Weight Tensor Scale" 9 1 9 72 parsed_2mnh 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "1 1.0000" 10 63 10 73 parsed_2mnh 1
2 "1 1.0000" 11 63 11 73 parsed_2mnh 1
3 "1 1.0000" 12 63 12 73 parsed_2mnh 1
4 "1 1.0000" 13 63 13 73 parsed_2mnh 1
5 "1 1.0000" 14 63 14 73 parsed_2mnh 1
6 "1 1.0000" 15 63 15 73 parsed_2mnh 1
7 "1 1.0000" 16 63 16 73 parsed_2mnh 1
8 "1 1.0000" 17 63 17 73 parsed_2mnh 1
9 "1 1.0000" 18 63 18 73 parsed_2mnh 1
10 "1 1.0000" 19 63 19 73 parsed_2mnh 1
11 "1 1.0000" 20 63 20 73 parsed_2mnh 1
12 "1 1.0000" 21 63 21 73 parsed_2mnh 1
13 "1 1.0000" 22 63 22 73 parsed_2mnh 1
14 "1 1.0000" 23 63 23 73 parsed_2mnh 1
15 "1 1.0000" 24 63 24 73 parsed_2mnh 1
16 "1 1.0000" 25 63 25 73 parsed_2mnh 1
17 "1 1.0000" 26 63 26 73 parsed_2mnh 1
18 "1 1.0000" 27 63 27 73 parsed_2mnh 1
19 "1 1.0000" 28 63 28 73 parsed_2mnh 1
20 "1 1.0000" 29 63 29 73 parsed_2mnh 1
21 "1 1.0000" 30 63 30 73 parsed_2mnh 1
22 "1 1.0000" 31 63 31 73 parsed_2mnh 1
23 "1 1.0000" 32 63 32 73 parsed_2mnh 1
24 "1 1.0000" 33 63 33 73 parsed_2mnh 1
25 "1 1.0000" 34 63 34 73 parsed_2mnh 1
26 "1 1.0000" 35 63 35 73 parsed_2mnh 1
27 "1 1.0000" 36 63 36 73 parsed_2mnh 1
28 "1 1.0000" 37 63 37 73 parsed_2mnh 1
29 "1 1.0000" 38 63 38 73 parsed_2mnh 1
30 "1 1.0000" 39 63 39 73 parsed_2mnh 1
31 "1 1.0000" 40 63 40 73 parsed_2mnh 1
32 "1 1.0000" 41 63 41 73 parsed_2mnh 1
33 "1 1.0000" 42 63 42 73 parsed_2mnh 1
34 "1 1.0000" 43 63 43 73 parsed_2mnh 1
35 "1 1.0000" 44 63 44 73 parsed_2mnh 1
36 "1 1.0000" 45 63 45 73 parsed_2mnh 1
37 "1 1.0000" 46 63 46 73 parsed_2mnh 1
38 "1 1.0000" 47 63 47 73 parsed_2mnh 1
39 "1 1.0000" 48 63 48 73 parsed_2mnh 1
40 "1 1.0000" 49 63 49 73 parsed_2mnh 1
41 "1 1.0000" 50 63 50 73 parsed_2mnh 1
42 "1 1.0000" 51 63 51 73 parsed_2mnh 1
43 "1 1.0000" 52 63 52 73 parsed_2mnh 1
44 "1 1.0000" 53 63 53 73 parsed_2mnh 1
45 "1 1.0000" 54 63 54 73 parsed_2mnh 1
46 "1 1.0000" 55 63 55 73 parsed_2mnh 1
47 "1 1.0000" 56 63 56 73 parsed_2mnh 1
48 "1 1.0000" 57 63 57 73 parsed_2mnh 1
49 "1 1.0000" 58 63 58 73 parsed_2mnh 1
50 "1 1.0000" 59 63 59 73 parsed_2mnh 1
51 "1 1.0000" 60 63 60 73 parsed_2mnh 1
52 "1 1.0000" 61 63 61 73 parsed_2mnh 1
53 "1 1.0000" 62 63 62 73 parsed_2mnh 1
54 "1 1.0000" 63 63 63 73 parsed_2mnh 1
55 "1 1.0000" 64 63 64 73 parsed_2mnh 1
56 "1 1.0000" 65 63 65 73 parsed_2mnh 1
57 "1 1.0000" 66 63 66 73 parsed_2mnh 1
58 "1 1.0000" 67 63 67 73 parsed_2mnh 1
59 "1 1.0000" 68 63 68 73 parsed_2mnh 1
60 "1 1.0000" 69 63 69 73 parsed_2mnh 1
61 "1 1.0000" 70 63 70 73 parsed_2mnh 1
62 "1 1.0000" 71 63 71 73 parsed_2mnh 1
63 "1 1.0000" 72 63 72 73 parsed_2mnh 1
64 "1 1.0000" 73 63 73 73 parsed_2mnh 1
65 "1 1.0000" 74 63 74 73 parsed_2mnh 1
66 "1 1.0000" 75 63 75 73 parsed_2mnh 1
67 "1 1.0000" 76 63 76 73 parsed_2mnh 1
68 "1 1.0000" 77 63 77 73 parsed_2mnh 1
69 "1 1.0000" 78 63 78 73 parsed_2mnh 1
70 "1 1.0000" 79 63 79 73 parsed_2mnh 1
71 "1 1.0000" 80 63 80 73 parsed_2mnh 1
72 "1 1.0000" 81 63 81 73 parsed_2mnh 1
73 "1 1.0000" 82 63 82 73 parsed_2mnh 1
74 "1 1.0000" 83 63 83 73 parsed_2mnh 1
75 "1 1.0000" 84 63 84 73 parsed_2mnh 1
76 "1 1.0000" 85 63 85 73 parsed_2mnh 1
77 "1 1.0000" 86 63 86 73 parsed_2mnh 1
78 "1 1.0000" 87 63 87 73 parsed_2mnh 1
79 "1 1.0000" 88 63 88 73 parsed_2mnh 1
80 "1 1.0000" 89 63 89 73 parsed_2mnh 1
81 "1 1.0000" 90 63 90 73 parsed_2mnh 1
82 "1 1.0000" 91 63 91 73 parsed_2mnh 1
83 "1 1.0000" 92 63 92 73 parsed_2mnh 1
84 "1 1.0000" 93 63 93 73 parsed_2mnh 1
85 "1 1.0000" 94 63 94 73 parsed_2mnh 1
86 "1 1.0000" 95 63 95 73 parsed_2mnh 1
87
;
1 1.0000
;
96 63 97 72 parsed_2mnh 1
stop_
save_
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