NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
532995 |
2koi   |
cing | 2-parsed | STAR | dipolar coupling | 122 |
data_2koi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2koi
_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_2koi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2koi
_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 2koi "Master copy" parsed_2koi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2koi
_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 2koi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 2 distance NOE ambi 2334 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 6 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 122 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 7 distance NOE ambi 0 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 0 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2koi 1
1 2koi.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2koi 1
1 2koi.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2koi 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2koi
_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 . . . . . . . . . . . . . . . . -21.4 -22.4 -20.4 . . . 33 . N . 33 . HN parsed_2koi 1
2 . . . . . . . . . . . . . . . . -18.4 -19.4 -17.4 . . . 34 . N . 34 . HN parsed_2koi 1
3 . . . . . . . . . . . . . . . . -12.6 -13.6 -11.6 . . . 35 . N . 35 . HN parsed_2koi 1
4 . . . . . . . . . . . . . . . . -20.7 -21.7 -19.7 . . . 36 . N . 36 . HN parsed_2koi 1
5 . . . . . . . . . . . . . . . . 0.8 -0.2 1.8 . . . 39 . N . 39 . HN parsed_2koi 1
6 . . . . . . . . . . . . . . . . -24.9 -25.9 -23.9 . . . 40 . N . 40 . HN parsed_2koi 1
7 . . . . . . . . . . . . . . . . -2.2 -3.2 -1.2 . . . 43 . N . 43 . HN parsed_2koi 1
8 . . . . . . . . . . . . . . . . -15.7 -16.7 -14.7 . . . 44 . N . 44 . HN parsed_2koi 1
9 . . . . . . . . . . . . . . . . -15.1 -16.1 -14.1 . . . 45 . N . 45 . HN parsed_2koi 1
10 . . . . . . . . . . . . . . . . 1.1 0.1 2.1 . . . 46 . N . 46 . HN parsed_2koi 1
11 . . . . . . . . . . . . . . . . -21.7 -22.7 -20.7 . . . 47 . N . 47 . HN parsed_2koi 1
12 . . . . . . . . . . . . . . . . -17.0 -18.0 -16.0 . . . 48 . N . 48 . HN parsed_2koi 1
13 . . . . . . . . . . . . . . . . -5.9 -6.9 -4.9 . . . 49 . N . 49 . HN parsed_2koi 1
14 . . . . . . . . . . . . . . . . 13.6 12.6 14.6 . . . 50 . N . 50 . HN parsed_2koi 1
15 . . . . . . . . . . . . . . . . 14.8 13.8 15.8 . . . 51 . N . 51 . HN parsed_2koi 1
16 . . . . . . . . . . . . . . . . 9.9 8.9 10.9 . . . 52 . N . 52 . HN parsed_2koi 1
17 . . . . . . . . . . . . . . . . 17.5 16.5 18.5 . . . 53 . N . 53 . HN parsed_2koi 1
18 . . . . . . . . . . . . . . . . 19.9 18.9 20.9 . . . 54 . N . 54 . HN parsed_2koi 1
19 . . . . . . . . . . . . . . . . 20.6 19.6 21.6 . . . 55 . N . 55 . HN parsed_2koi 1
20 . . . . . . . . . . . . . . . . 1.8 0.8 2.8 . . . 56 . N . 56 . HN parsed_2koi 1
21 . . . . . . . . . . . . . . . . -18.1 -19.1 -17.1 . . . 57 . N . 57 . HN parsed_2koi 1
22 . . . . . . . . . . . . . . . . 17.0 16.0 18.0 . . . 59 . N . 59 . HN parsed_2koi 1
23 . . . . . . . . . . . . . . . . -11.8 -12.8 -10.8 . . . 60 . N . 60 . HN parsed_2koi 1
24 . . . . . . . . . . . . . . . . -18.7 -19.7 -17.7 . . . 61 . N . 61 . HN parsed_2koi 1
25 . . . . . . . . . . . . . . . . -11.6 -12.6 -10.6 . . . 62 . N . 62 . HN parsed_2koi 1
26 . . . . . . . . . . . . . . . . 4.4 3.4 5.4 . . . 63 . N . 63 . HN parsed_2koi 1
27 . . . . . . . . . . . . . . . . 12.2 11.2 13.2 . . . 64 . N . 64 . HN parsed_2koi 1
28 . . . . . . . . . . . . . . . . 22.1 21.1 23.1 . . . 65 . N . 65 . HN parsed_2koi 1
29 . . . . . . . . . . . . . . . . -1.6 -2.6 -0.6 . . . 66 . N . 66 . HN parsed_2koi 1
30 . . . . . . . . . . . . . . . . 5.7 4.7 6.7 . . . 67 . N . 67 . HN parsed_2koi 1
31 . . . . . . . . . . . . . . . . 12.2 11.2 13.2 . . . 68 . N . 68 . HN parsed_2koi 1
32 . . . . . . . . . . . . . . . . 3.2 2.2 4.2 . . . 69 . N . 69 . HN parsed_2koi 1
33 . . . . . . . . . . . . . . . . 3.4 2.4 4.4 . . . 70 . N . 70 . HN parsed_2koi 1
34 . . . . . . . . . . . . . . . . -7.8 -8.8 -6.8 . . . 74 . N . 74 . HN parsed_2koi 1
35 . . . . . . . . . . . . . . . . 22.0 21.0 23.0 . . . 76 . N . 76 . HN parsed_2koi 1
36 . . . . . . . . . . . . . . . . -1.2 -2.2 -0.2 . . . 78 . N . 78 . HN parsed_2koi 1
37 . . . . . . . . . . . . . . . . 17.1 16.1 18.1 . . . 79 . N . 79 . HN parsed_2koi 1
38 . . . . . . . . . . . . . . . . -3.7 -4.7 -2.7 . . . 80 . N . 80 . HN parsed_2koi 1
39 . . . . . . . . . . . . . . . . 12.0 11.0 13.0 . . . 81 . N . 81 . HN parsed_2koi 1
40 . . . . . . . . . . . . . . . . -7.9 -8.9 -6.9 . . . 82 . N . 82 . HN parsed_2koi 1
41 . . . . . . . . . . . . . . . . 12.0 11.0 13.0 . . . 85 . N . 85 . HN parsed_2koi 1
42 . . . . . . . . . . . . . . . . -5.8 -6.8 -4.8 . . . 86 . N . 86 . HN parsed_2koi 1
43 . . . . . . . . . . . . . . . . -9.5 -10.5 -8.5 . . . 87 . N . 87 . HN parsed_2koi 1
44 . . . . . . . . . . . . . . . . 8.1 7.1 9.1 . . . 91 . N . 91 . HN parsed_2koi 1
45 . . . . . . . . . . . . . . . . -2.0 -3.0 -1.0 . . . 92 . N . 92 . HN parsed_2koi 1
46 . . . . . . . . . . . . . . . . -6.5 -7.5 -5.5 . . . 93 . N . 93 . HN parsed_2koi 1
47 . . . . . . . . . . . . . . . . -2.5 -3.5 -1.5 . . . 94 . N . 94 . HN parsed_2koi 1
48 . . . . . . . . . . . . . . . . 6.1 5.1 7.1 . . . 95 . N . 95 . HN parsed_2koi 1
49 . . . . . . . . . . . . . . . . -4.6 -5.6 -3.6 . . . 96 . N . 96 . HN parsed_2koi 1
50 . . . . . . . . . . . . . . . . -7.7 -8.7 -6.7 . . . 97 . N . 97 . HN parsed_2koi 1
51 . . . . . . . . . . . . . . . . 10.8 9.8 11.8 . . . 98 . N . 98 . HN parsed_2koi 1
52 . . . . . . . . . . . . . . . . -2.8 -3.8 -1.8 . . . 99 . N . 99 . HN parsed_2koi 1
53 . . . . . . . . . . . . . . . . -0.4 -1.4 0.6 . . . 100 . N . 100 . HN parsed_2koi 1
54 . . . . . . . . . . . . . . . . 9.5 8.5 10.5 . . . 102 . N . 102 . HN parsed_2koi 1
55 . . . . . . . . . . . . . . . . 8.4 7.4 9.4 . . . 104 . N . 104 . HN parsed_2koi 1
56 . . . . . . . . . . . . . . . . 15.0 14.0 16.0 . . . 105 . N . 105 . HN parsed_2koi 1
57 . . . . . . . . . . . . . . . . 2.2 1.2 3.2 . . . 106 . N . 106 . HN parsed_2koi 1
58 . . . . . . . . . . . . . . . . -5.5 -6.5 -4.5 . . . 107 . N . 107 . HN parsed_2koi 1
59 . . . . . . . . . . . . . . . . 14.9 13.9 15.9 . . . 109 . N . 109 . HN parsed_2koi 1
60 . . . . . . . . . . . . . . . . 12.6 11.6 13.6 . . . 110 . N . 110 . HN parsed_2koi 1
61 . . . . . . . . . . . . . . . . 7.1 6.1 8.1 . . . 111 . N . 111 . HN parsed_2koi 1
62 . . . . . . . . . . . . . . . . 22.2 21.2 23.2 . . . 112 . N . 112 . HN parsed_2koi 1
63 . . . . . . . . . . . . . . . . 8.9 7.9 9.9 . . . 113 . N . 113 . HN parsed_2koi 1
64 . . . . . . . . . . . . . . . . 8.9 7.9 9.9 . . . 114 . N . 114 . HN parsed_2koi 1
65 . . . . . . . . . . . . . . . . 0.2 -0.8 1.2 . . . 124 . N . 124 . HN parsed_2koi 1
66 . . . . . . . . . . . . . . . . 4.8 3.8 5.8 . . . 125 . N . 125 . HN parsed_2koi 1
67 . . . . . . . . . . . . . . . . -0.1 -1.1 0.9 . . . 127 . N . 127 . HN parsed_2koi 1
68 . . . . . . . . . . . . . . . . -5.4 -6.4 -4.4 . . . 129 . N . 129 . HN parsed_2koi 1
69 . . . . . . . . . . . . . . . . 16.9 15.9 17.9 . . . 132 . N . 132 . HN parsed_2koi 1
70 . . . . . . . . . . . . . . . . 15.5 14.5 16.5 . . . 133 . N . 133 . HN parsed_2koi 1
71 . . . . . . . . . . . . . . . . -10.1 -11.1 -9.1 . . . 135 . N . 135 . HN parsed_2koi 1
72 . . . . . . . . . . . . . . . . -15.1 -16.1 -14.1 . . . 136 . N . 136 . HN parsed_2koi 1
73 . . . . . . . . . . . . . . . . 20.5 19.5 21.5 . . . 138 . N . 138 . HN parsed_2koi 1
74 . . . . . . . . . . . . . . . . 21.6 20.6 22.6 . . . 139 . N . 139 . HN parsed_2koi 1
75 . . . . . . . . . . . . . . . . 10.3 9.3 11.3 . . . 140 . N . 140 . HN parsed_2koi 1
76 . . . . . . . . . . . . . . . . 7.7 6.7 8.7 . . . 141 . N . 141 . HN parsed_2koi 1
77 . . . . . . . . . . . . . . . . 12.6 11.6 13.6 . . . 142 . N . 142 . HN parsed_2koi 1
78 . . . . . . . . . . . . . . . . 17.3 16.3 18.3 . . . 143 . N . 143 . HN parsed_2koi 1
79 . . . . . . . . . . . . . . . . 14.4 13.4 15.4 . . . 144 . N . 144 . HN parsed_2koi 1
80 . . . . . . . . . . . . . . . . 16.4 15.4 17.4 . . . 145 . N . 145 . HN parsed_2koi 1
81 . . . . . . . . . . . . . . . . 22.0 21.0 23.0 . . . 146 . N . 146 . HN parsed_2koi 1
82 . . . . . . . . . . . . . . . . -3.0 -4.0 -2.0 . . . 147 . N . 147 . HN parsed_2koi 1
83 . . . . . . . . . . . . . . . . 1.3 0.3 2.3 . . . 148 . N . 148 . HN parsed_2koi 1
84 . . . . . . . . . . . . . . . . -4.2 -5.2 -3.2 . . . 149 . N . 149 . HN parsed_2koi 1
85 . . . . . . . . . . . . . . . . 17.9 16.9 18.9 . . . 150 . N . 150 . HN parsed_2koi 1
86 . . . . . . . . . . . . . . . . 7.3 6.3 8.3 . . . 151 . N . 151 . HN parsed_2koi 1
87 . . . . . . . . . . . . . . . . 13.3 12.3 14.3 . . . 152 . N . 152 . HN parsed_2koi 1
88 . . . . . . . . . . . . . . . . 10.9 9.9 11.9 . . . 153 . N . 153 . HN parsed_2koi 1
89 . . . . . . . . . . . . . . . . 20.6 19.6 21.6 . . . 154 . N . 154 . HN parsed_2koi 1
90 . . . . . . . . . . . . . . . . 2.4 1.4 3.4 . . . 156 . N . 156 . HN parsed_2koi 1
91 . . . . . . . . . . . . . . . . 1.2 0.2 2.2 . . . 157 . N . 157 . HN parsed_2koi 1
92 . . . . . . . . . . . . . . . . 1.2 0.2 2.2 . . . 158 . N . 158 . HN parsed_2koi 1
93 . . . . . . . . . . . . . . . . -7.8 -8.8 -6.8 . . . 161 . N . 161 . HN parsed_2koi 1
94 . . . . . . . . . . . . . . . . 0.7 -0.3 1.7 . . . 162 . N . 162 . HN parsed_2koi 1
95 . . . . . . . . . . . . . . . . -2.1 -3.1 -1.1 . . . 163 . N . 163 . HN parsed_2koi 1
96 . . . . . . . . . . . . . . . . 17.1 16.1 18.1 . . . 164 . N . 164 . HN parsed_2koi 1
97 . . . . . . . . . . . . . . . . 21.5 20.5 22.5 . . . 165 . N . 165 . HN parsed_2koi 1
98 . . . . . . . . . . . . . . . . 22.9 21.9 23.9 . . . 166 . N . 166 . HN parsed_2koi 1
99 . . . . . . . . . . . . . . . . 9.6 8.6 10.6 . . . 167 . N . 167 . HN parsed_2koi 1
100 . . . . . . . . . . . . . . . . 19.5 18.5 20.5 . . . 168 . N . 168 . HN parsed_2koi 1
101 . . . . . . . . . . . . . . . . 7.3 6.3 8.3 . . . 169 . N . 169 . HN parsed_2koi 1
102 . . . . . . . . . . . . . . . . 10.6 9.6 11.6 . . . 170 . N . 170 . HN parsed_2koi 1
103 . . . . . . . . . . . . . . . . 1.7 0.7 2.7 . . . 171 . N . 171 . HN parsed_2koi 1
104 . . . . . . . . . . . . . . . . -15.7 -16.7 -14.7 . . . 172 . N . 172 . HN parsed_2koi 1
105 . . . . . . . . . . . . . . . . 8.8 7.8 9.8 . . . 176 . N . 176 . HN parsed_2koi 1
106 . . . . . . . . . . . . . . . . 13.2 12.2 14.2 . . . 177 . N . 177 . HN parsed_2koi 1
107 . . . . . . . . . . . . . . . . -19.9 -20.9 -18.9 . . . 179 . N . 179 . HN parsed_2koi 1
108 . . . . . . . . . . . . . . . . -11.4 -12.4 -10.4 . . . 183 . N . 183 . HN parsed_2koi 1
109 . . . . . . . . . . . . . . . . -14.2 -15.2 -13.2 . . . 185 . N . 185 . HN parsed_2koi 1
110 . . . . . . . . . . . . . . . . -19.1 -20.1 -18.1 . . . 187 . N . 187 . HN parsed_2koi 1
111 . . . . . . . . . . . . . . . . -12.8 -13.8 -11.8 . . . 188 . N . 188 . HN parsed_2koi 1
112 . . . . . . . . . . . . . . . . -11.1 -12.1 -10.1 . . . 189 . N . 189 . HN parsed_2koi 1
113 . . . . . . . . . . . . . . . . -20.8 -21.8 -19.8 . . . 190 . N . 190 . HN parsed_2koi 1
114 . . . . . . . . . . . . . . . . -20.1 -21.1 -19.1 . . . 191 . N . 191 . HN parsed_2koi 1
115 . . . . . . . . . . . . . . . . -13.0 -14.0 -12.0 . . . 192 . N . 192 . HN parsed_2koi 1
116 . . . . . . . . . . . . . . . . -15.8 -16.8 -14.8 . . . 193 . N . 193 . HN parsed_2koi 1
117 . . . . . . . . . . . . . . . . -22.3 -23.3 -21.3 . . . 194 . N . 194 . HN parsed_2koi 1
118 . . . . . . . . . . . . . . . . -14.3 -15.3 -13.3 . . . 195 . N . 195 . HN parsed_2koi 1
119 . . . . . . . . . . . . . . . . -8.3 -9.3 -7.3 . . . 196 . N . 196 . HN parsed_2koi 1
120 . . . . . . . . . . . . . . . . -17.0 -18.0 -16.0 . . . 197 . N . 197 . HN parsed_2koi 1
121 . . . . . . . . . . . . . . . . -23.0 -24.0 -22.0 . . . 198 . N . 198 . HN parsed_2koi 1
122 . . . . . . . . . . . . . . . . 4.9 3.9 5.9 . . . 200 . N . 200 . HN parsed_2koi 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
;
outlier in lowest 199 and 200
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 101 and name N )
( resid 101 and name HN ) 15.8 1.0 1.0
;
372 1 378 53 parsed_2koi 1
stop_
save_
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