NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
639283 |
6nui   |
27151 | cing | 2-parsed | STAR | dipolar coupling | 89 |
data_6nui_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6nui
_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_6nui 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6nui
_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 6nui "Master copy" parsed_6nui
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6nui
_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 6nui.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6nui 1
1 6nui.mr . . DYANA/DIANA 2 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_6nui 1
1 6nui.mr . . DYANA/DIANA 3 distance NOE simple 2430 parsed_6nui 1
1 6nui.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_6nui 1
1 6nui.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 0 parsed_6nui 1
1 6nui.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6nui 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6nui
_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 . . . . . . . . . . . . . . . . -5.66 . . 1 . . 5 ARG N . 4 ARG H parsed_6nui 1
2 . . . . . . . . . . . . . . . . 7.14 . . 1 . . 7 VAL N . 6 VAL H parsed_6nui 1
3 . . . . . . . . . . . . . . . . 10.31 . . 1 . . 8 VAL N . 7 VAL H parsed_6nui 1
4 . . . . . . . . . . . . . . . . -6.84 . . 1 . . 9 LEU N . 8 LEU H parsed_6nui 1
5 . . . . . . . . . . . . . . . . 3.42 . . 1 . . 10 SER N . 9 SER H parsed_6nui 1
6 . . . . . . . . . . . . . . . . -11.78 . . 1 . . 17 LYS N . 16 LYS H parsed_6nui 1
7 . . . . . . . . . . . . . . . . -6.71 . . 1 . . 18 SER N . 17 SER H parsed_6nui 1
8 . . . . . . . . . . . . . . . . -8.68 . . 1 . . 21 LEU N . 20 LEU H parsed_6nui 1
9 . . . . . . . . . . . . . . . . -18.01 . . 1 . . 23 ARG N . 22 ARG H parsed_6nui 1
10 . . . . . . . . . . . . . . . . -12.29 . . 1 . . 26 GLN N . 25 GLN H parsed_6nui 1
11 . . . . . . . . . . . . . . . . -15.28 . . 1 . . 27 GLU N . 26 GLU H parsed_6nui 1
12 . . . . . . . . . . . . . . . . -2.89 . . 1 . . 31 ILE N . 30 ILE H parsed_6nui 1
13 . . . . . . . . . . . . . . . . 6.36 . . 1 . . 33 GLY N . 32 GLY H parsed_6nui 1
14 . . . . . . . . . . . . . . . . 2.53 . . 1 . . 34 PHE N . 33 PHE H parsed_6nui 1
15 . . . . . . . . . . . . . . . . -16.42 . . 1 . . 35 SER N . 34 SER H parsed_6nui 1
16 . . . . . . . . . . . . . . . . 8.53 . . 1 . . 36 VAL N . 35 VAL H parsed_6nui 1
17 . . . . . . . . . . . . . . . . 16.40 . . 1 . . 37 SER N . 36 SER H parsed_6nui 1
18 . . . . . . . . . . . . . . . . -4.61 . . 1 . . 38 HIS N . 37 HIS H parsed_6nui 1
19 . . . . . . . . . . . . . . . . -15.95 . . 1 . . 39 THR N . 38 THR H parsed_6nui 1
20 . . . . . . . . . . . . . . . . -2.28 . . 1 . . 41 ARG N . 40 ARG H parsed_6nui 1
21 . . . . . . . . . . . . . . . . 4.13 . . 1 . . 44 ARG N . 43 ARG H parsed_6nui 1
22 . . . . . . . . . . . . . . . . 1.82 . . 1 . . 47 GLU N . 46 GLU H parsed_6nui 1
23 . . . . . . . . . . . . . . . . -10.76 . . 1 . . 48 GLU N . 47 GLU H parsed_6nui 1
24 . . . . . . . . . . . . . . . . -10.24 . . 1 . . 50 GLY N . 49 GLY H parsed_6nui 1
25 . . . . . . . . . . . . . . . . 5.24 . . 1 . . 51 LYS N . 50 LYS H parsed_6nui 1
26 . . . . . . . . . . . . . . . . -12.57 . . 1 . . 53 TYR N . 52 TYR H parsed_6nui 1
27 . . . . . . . . . . . . . . . . -10.89 . . 1 . . 54 TYR N . 53 TYR H parsed_6nui 1
28 . . . . . . . . . . . . . . . . -13.48 . . 1 . . 55 PHE N . 54 PHE H parsed_6nui 1
29 . . . . . . . . . . . . . . . . -18.81 . . 1 . . 56 VAL N . 55 VAL H parsed_6nui 1
30 . . . . . . . . . . . . . . . . 6.19 . . 1 . . 57 THR N . 56 THR H parsed_6nui 1
31 . . . . . . . . . . . . . . . . 14.78 . . 1 . . 58 ARG N . 57 ARG H parsed_6nui 1
32 . . . . . . . . . . . . . . . . 15.78 . . 1 . . 60 VAL N . 59 VAL H parsed_6nui 1
33 . . . . . . . . . . . . . . . . 6.94 . . 1 . . 62 GLN N . 61 GLN H parsed_6nui 1
34 . . . . . . . . . . . . . . . . 5.10 . . 1 . . 63 ARG N . 62 ARG H parsed_6nui 1
35 . . . . . . . . . . . . . . . . 19.06 . . 1 . . 64 ASP N . 63 ASP H parsed_6nui 1
36 . . . . . . . . . . . . . . . . 12.49 . . 1 . . 65 ILE N . 64 ILE H parsed_6nui 1
37 . . . . . . . . . . . . . . . . 4.25 . . 1 . . 66 ALA N . 65 ALA H parsed_6nui 1
38 . . . . . . . . . . . . . . . . 15.61 . . 1 . . 68 GLY N . 67 GLY H parsed_6nui 1
39 . . . . . . . . . . . . . . . . -4.17 . . 1 . . 70 PHE N . 69 PHE H parsed_6nui 1
40 . . . . . . . . . . . . . . . . -11.29 . . 1 . . 74 ALA N . 73 ALA H parsed_6nui 1
41 . . . . . . . . . . . . . . . . -8.22 . . 1 . . 78 GLY N . 77 GLY H parsed_6nui 1
42 . . . . . . . . . . . . . . . . -8.52 . . 1 . . 82 GLY N . 81 GLY H parsed_6nui 1
43 . . . . . . . . . . . . . . . . -7.57 . . 1 . . 87 ALA N . 86 ALA H parsed_6nui 1
44 . . . . . . . . . . . . . . . . -4.20 . . 1 . . 90 ALA N . 89 ALA H parsed_6nui 1
45 . . . . . . . . . . . . . . . . -6.55 . . 1 . . 92 GLN N . 91 GLN H parsed_6nui 1
46 . . . . . . . . . . . . . . . . -4.22 . . 1 . . 94 MET N . 93 MET H parsed_6nui 1
47 . . . . . . . . . . . . . . . . 1.50 . . 1 . . 96 ARG N . 95 ARG H parsed_6nui 1
48 . . . . . . . . . . . . . . . . 9.51 . . 1 . . 97 ILE N . 96 ILE H parsed_6nui 1
49 . . . . . . . . . . . . . . . . 22.79 . . 1 . . 98 CYS N . 97 CYS H parsed_6nui 1
50 . . . . . . . . . . . . . . . . 0.79 . . 1 . . 99 VAL N . 98 VAL H parsed_6nui 1
51 . . . . . . . . . . . . . . . . 7.79 . . 1 . . 100 LEU N . 99 LEU H parsed_6nui 1
52 . . . . . . . . . . . . . . . . 0.86 . . 1 . . 102 VAL N . 101 VAL H parsed_6nui 1
53 . . . . . . . . . . . . . . . . 21.16 . . 1 . . 105 GLN N . 104 GLN H parsed_6nui 1
54 . . . . . . . . . . . . . . . . 12.64 . . 1 . . 106 GLY N . 105 GLY H parsed_6nui 1
55 . . . . . . . . . . . . . . . . 9.43 . . 1 . . 108 ARG N . 107 ARG H parsed_6nui 1
56 . . . . . . . . . . . . . . . . 5.70 . . 1 . . 110 ILE N . 109 ILE H parsed_6nui 1
57 . . . . . . . . . . . . . . . . 4.86 . . 1 . . 115 LEU N . 114 LEU H parsed_6nui 1
58 . . . . . . . . . . . . . . . . 18.83 . . 1 . . 119 TYR N . 118 TYR H parsed_6nui 1
59 . . . . . . . . . . . . . . . . 4.11 . . 1 . . 121 SER N . 120 SER H parsed_6nui 1
60 . . . . . . . . . . . . . . . . -2.08 . . 1 . . 122 VAL N . 121 VAL H parsed_6nui 1
61 . . . . . . . . . . . . . . . . 2.39 . . 1 . . 123 GLN N . 122 GLN H parsed_6nui 1
62 . . . . . . . . . . . . . . . . 4.99 . . 1 . . 126 SER N . 125 SER H parsed_6nui 1
63 . . . . . . . . . . . . . . . . 8.73 . . 1 . . 130 LEU N . 129 LEU H parsed_6nui 1
64 . . . . . . . . . . . . . . . . 7.28 . . 1 . . 131 GLU N . 130 GLU H parsed_6nui 1
65 . . . . . . . . . . . . . . . . 19.92 . . 1 . . 145 LEU N . 144 LEU H parsed_6nui 1
66 . . . . . . . . . . . . . . . . 22.53 . . 1 . . 148 ARG N . 147 ARG H parsed_6nui 1
67 . . . . . . . . . . . . . . . . 20.38 . . 1 . . 150 ALA N . 149 ALA H parsed_6nui 1
68 . . . . . . . . . . . . . . . . 18.51 . . 1 . . 154 ALA N . 153 ALA H parsed_6nui 1
69 . . . . . . . . . . . . . . . . 17.01 . . 1 . . 159 SER N . 158 SER H parsed_6nui 1
70 . . . . . . . . . . . . . . . . 2.56 . . 1 . . 160 LYS N . 159 LYS H parsed_6nui 1
71 . . . . . . . . . . . . . . . . -18.58 . . 1 . . 164 LEU N . 163 LEU H parsed_6nui 1
72 . . . . . . . . . . . . . . . . -16.43 . . 1 . . 165 PHE N . 164 PHE H parsed_6nui 1
73 . . . . . . . . . . . . . . . . 4.19 . . 1 . . 168 VAL N . 167 VAL H parsed_6nui 1
74 . . . . . . . . . . . . . . . . -8.50 . . 1 . . 169 ILE N . 168 ILE H parsed_6nui 1
75 . . . . . . . . . . . . . . . . 5.33 . . 1 . . 170 ILE N . 169 ILE H parsed_6nui 1
76 . . . . . . . . . . . . . . . . -6.16 . . 1 . . 171 ASN N . 170 ASN H parsed_6nui 1
77 . . . . . . . . . . . . . . . . 11.65 . . 1 . . 172 ASP N . 171 ASP H parsed_6nui 1
78 . . . . . . . . . . . . . . . . 4.92 . . 1 . . 176 GLN N . 175 GLN H parsed_6nui 1
79 . . . . . . . . . . . . . . . . 19.10 . . 1 . . 177 ALA N . 176 ALA H parsed_6nui 1
80 . . . . . . . . . . . . . . . . -1.00 . . 1 . . 179 ALA N . 178 ALA H parsed_6nui 1
81 . . . . . . . . . . . . . . . . 16.18 . . 1 . . 181 LEU N . 180 LEU H parsed_6nui 1
82 . . . . . . . . . . . . . . . . 14.38 . . 1 . . 184 ALA N . 183 ALA H parsed_6nui 1
83 . . . . . . . . . . . . . . . . 13.21 . . 1 . . 185 LEU N . 184 LEU H parsed_6nui 1
84 . . . . . . . . . . . . . . . . -13.82 . . 1 . . 186 SER N . 185 SER H parsed_6nui 1
85 . . . . . . . . . . . . . . . . -19.44 . . 1 . . 187 GLU N . 186 GLU H parsed_6nui 1
86 . . . . . . . . . . . . . . . . -13.84 . . 1 . . 188 GLU N . 187 GLU H parsed_6nui 1
87 . . . . . . . . . . . . . . . . -15.63 . . 1 . . 191 LYS N . 190 LYS H parsed_6nui 1
88 . . . . . . . . . . . . . . . . -14.23 . . 1 . . 192 ALA N . 191 ALA H parsed_6nui 1
89 . . . . . . . . . . . . . . . . -7.44 . . 1 . . 193 GLN N . 192 GLN H parsed_6nui 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 73 1 74 parsed_6nui 1
2 1 2 73 2 74 parsed_6nui 1
3 1 3 73 3 74 parsed_6nui 1
4 1 4 73 4 74 parsed_6nui 1
5 1 5 73 5 74 parsed_6nui 1
6 1 6 73 6 74 parsed_6nui 1
7 1 7 73 7 74 parsed_6nui 1
8 1 8 73 8 74 parsed_6nui 1
9 1 9 73 9 74 parsed_6nui 1
10 1 10 73 10 74 parsed_6nui 1
11 1 11 73 11 74 parsed_6nui 1
12 1 12 73 12 74 parsed_6nui 1
13 1 13 73 13 74 parsed_6nui 1
14 1 14 73 14 74 parsed_6nui 1
15 1 15 73 15 74 parsed_6nui 1
16 1 16 73 16 74 parsed_6nui 1
17 1 17 73 17 74 parsed_6nui 1
18 1 18 73 18 74 parsed_6nui 1
19 1 19 73 19 74 parsed_6nui 1
20 1 20 73 20 74 parsed_6nui 1
21 1 21 73 21 74 parsed_6nui 1
22 1 22 73 22 74 parsed_6nui 1
23 1 23 73 23 74 parsed_6nui 1
24 1 24 73 24 74 parsed_6nui 1
25 1 25 73 25 74 parsed_6nui 1
26 1 26 73 26 74 parsed_6nui 1
27 1 27 73 27 74 parsed_6nui 1
28 1 28 73 28 74 parsed_6nui 1
29 1 29 73 29 74 parsed_6nui 1
30 1 30 73 30 74 parsed_6nui 1
31 1 31 73 31 74 parsed_6nui 1
32 1 32 73 32 74 parsed_6nui 1
33 1 33 73 33 74 parsed_6nui 1
34 1 34 73 34 74 parsed_6nui 1
35 1 35 73 35 74 parsed_6nui 1
36 1 36 73 36 74 parsed_6nui 1
37 1 37 73 37 74 parsed_6nui 1
38 1 38 73 38 74 parsed_6nui 1
39 1 39 73 39 74 parsed_6nui 1
40 1 40 73 40 74 parsed_6nui 1
41 1 41 73 41 74 parsed_6nui 1
42 1 42 73 42 74 parsed_6nui 1
43 1 43 73 43 74 parsed_6nui 1
44 1 44 73 44 74 parsed_6nui 1
45 1 45 73 45 74 parsed_6nui 1
46 1 46 73 46 74 parsed_6nui 1
47 1 47 73 47 74 parsed_6nui 1
48 1 48 73 48 74 parsed_6nui 1
49 1 49 73 49 74 parsed_6nui 1
50 1 50 73 50 74 parsed_6nui 1
51 1 51 73 51 74 parsed_6nui 1
52 1 52 73 52 74 parsed_6nui 1
53 1 53 73 53 74 parsed_6nui 1
54 1 54 73 54 74 parsed_6nui 1
55 1 55 73 55 74 parsed_6nui 1
56 1 56 73 56 74 parsed_6nui 1
57 1 57 73 57 74 parsed_6nui 1
58 1 58 73 58 74 parsed_6nui 1
59 1 59 73 59 74 parsed_6nui 1
60 1 60 73 60 74 parsed_6nui 1
61 1 61 73 61 74 parsed_6nui 1
62 1 62 73 62 74 parsed_6nui 1
63 1 63 73 63 74 parsed_6nui 1
64 1 64 73 64 74 parsed_6nui 1
65 1 65 73 65 74 parsed_6nui 1
66 1 66 73 66 74 parsed_6nui 1
67 1 67 73 67 74 parsed_6nui 1
68 1 68 73 68 74 parsed_6nui 1
69 1 69 73 69 74 parsed_6nui 1
70 1 70 73 70 74 parsed_6nui 1
71 1 71 73 71 74 parsed_6nui 1
72 1 72 73 72 74 parsed_6nui 1
73 1 73 73 73 74 parsed_6nui 1
74 1 74 73 74 74 parsed_6nui 1
75 1 75 73 75 74 parsed_6nui 1
76 1 76 73 76 74 parsed_6nui 1
77 1 77 73 77 74 parsed_6nui 1
78 1 78 73 78 74 parsed_6nui 1
79 1 79 73 79 74 parsed_6nui 1
80 1 80 73 80 74 parsed_6nui 1
81 1 81 73 81 74 parsed_6nui 1
82 1 82 73 82 74 parsed_6nui 1
83 1 83 73 83 74 parsed_6nui 1
84 1 84 73 84 74 parsed_6nui 1
85 1 85 73 85 74 parsed_6nui 1
86 1 86 73 86 74 parsed_6nui 1
87 1 87 73 87 74 parsed_6nui 1
88 1 88 73 88 74 parsed_6nui 1
89 "1# Restraints file 4: D_1000238679_mr_P1.cyana.V2" 89 73 89 122 parsed_6nui 1
stop_
save_
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