NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
51088 |
2k5b   |
cing | 2-parsed | STAR | dipolar coupling | 120 |
data_2k5b_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k5b
_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_2k5b 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k5b
_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 2k5b "Master copy" parsed_2k5b
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k5b
_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 2k5b.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k5b 1
1 2k5b.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 18 parsed_2k5b 1
1 2k5b.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 77 parsed_2k5b 1
1 2k5b.mr . . HADDOCK 4 distance NOE ambi 0 parsed_2k5b 1
1 2k5b.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 120 parsed_2k5b 1
1 2k5b.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k5b 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2k5b
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -4.54 . . . . B 150 . N B 150 . HN parsed_2k5b 1
2 . . . . . . . . . . . . . . . . 0.43 . . . . B 155 . N B 155 . HN parsed_2k5b 1
3 . . . . . . . . . . . . . . . . 5.75 . . . . B 157 . N B 157 . HN parsed_2k5b 1
4 . . . . . . . . . . . . . . . . -4.97 . . . . B 163 . N B 163 . HN parsed_2k5b 1
5 . . . . . . . . . . . . . . . . 8.59 . . . . B 164 . N B 164 . HN parsed_2k5b 1
6 . . . . . . . . . . . . . . . . -5.54 . . . . B 165 . N B 165 . HN parsed_2k5b 1
7 . . . . . . . . . . . . . . . . 6.46 . . . . B 169 . N B 169 . HN parsed_2k5b 1
8 . . . . . . . . . . . . . . . . 12.21 . . . . B 170 . N B 170 . HN parsed_2k5b 1
9 . . . . . . . . . . . . . . . . -1.35 . . . . B 175 . N B 175 . HN parsed_2k5b 1
10 . . . . . . . . . . . . . . . . 7.24 . . . . B 176 . N B 176 . HN parsed_2k5b 1
11 . . . . . . . . . . . . . . . . 1.85 . . . . B 178 . N B 178 . HN parsed_2k5b 1
12 . . . . . . . . . . . . . . . . 14.20 . . . . B 185 . N B 185 . HN parsed_2k5b 1
13 . . . . . . . . . . . . . . . . 7.23 . . . . B 187 . N B 187 . HN parsed_2k5b 1
14 . . . . . . . . . . . . . . . . 13.31 . . . . B 188 . N B 188 . HN parsed_2k5b 1
15 . . . . . . . . . . . . . . . . 3.90 . . . . B 192 . N B 192 . HN parsed_2k5b 1
16 . . . . . . . . . . . . . . . . 5.89 . . . . B 194 . N B 194 . HN parsed_2k5b 1
17 . . . . . . . . . . . . . . . . -7.45 . . . . B 201 . N B 201 . HN parsed_2k5b 1
18 . . . . . . . . . . . . . . . . 10.22 . . . . B 203 . N B 203 . HN parsed_2k5b 1
19 . . . . . . . . . . . . . . . . -13.82 . . . . B 204 . N B 204 . HN parsed_2k5b 1
20 . . . . . . . . . . . . . . . . 8.02 . . . . B 210 . N B 210 . HN parsed_2k5b 1
21 . . . . . . . . . . . . . . . . 8.16 . . . . B 212 . N B 212 . HN parsed_2k5b 1
22 . . . . . . . . . . . . . . . . 4.16 . . . . B 214 . N B 214 . HN parsed_2k5b 1
23 . . . . . . . . . . . . . . . . 2.98 . . . . B 216 . N B 216 . HN parsed_2k5b 1
24 . . . . . . . . . . . . . . . . 0.00 . . . . B 218 . N B 218 . HN parsed_2k5b 1
25 . . . . . . . . . . . . . . . . -4.18 . . . . B 222 . N B 222 . HN parsed_2k5b 1
26 . . . . . . . . . . . . . . . . 2.98 . . . . B 225 . N B 225 . HN parsed_2k5b 1
27 . . . . . . . . . . . . . . . . 14.61 . . . . B 228 . N B 228 . HN parsed_2k5b 1
28 . . . . . . . . . . . . . . . . 13.27 . . . . B 229 . N B 229 . HN parsed_2k5b 1
29 . . . . . . . . . . . . . . . . -0.71 . . . . B 231 . N B 231 . HN parsed_2k5b 1
30 . . . . . . . . . . . . . . . . -8.59 . . . . B 233 . N B 233 . HN parsed_2k5b 1
31 . . . . . . . . . . . . . . . . 8.31 . . . . B 238 . N B 238 . HN parsed_2k5b 1
32 . . . . . . . . . . . . . . . . 0.86 . . . . B 240 . N B 240 . HN parsed_2k5b 1
33 . . . . . . . . . . . . . . . . 11.86 . . . . B 242 . N B 242 . HN parsed_2k5b 1
34 . . . . . . . . . . . . . . . . -2.35 . . . . B 243 . N B 243 . HN parsed_2k5b 1
35 . . . . . . . . . . . . . . . . -3.41 . . . . B 244 . N B 244 . HN parsed_2k5b 1
36 . . . . . . . . . . . . . . . . -10.21 . . . . B 250 . N B 250 . HN parsed_2k5b 1
37 . . . . . . . . . . . . . . . . -2.90 . . . . B 251 . N B 251 . HN parsed_2k5b 1
38 . . . . . . . . . . . . . . . . -3.54 . . . . B 252 . N B 252 . HN parsed_2k5b 1
39 . . . . . . . . . . . . . . . . -12.78 . . . . B 253 . N B 253 . HN parsed_2k5b 1
40 . . . . . . . . . . . . . . . . -7.94 . . . . B 254 . N B 254 . HN parsed_2k5b 1
41 . . . . . . . . . . . . . . . . -10.93 . . . . B 257 . N B 257 . HN parsed_2k5b 1
42 . . . . . . . . . . . . . . . . 11.93 . . . . A 20 . N A 20 . HN parsed_2k5b 1
43 . . . . . . . . . . . . . . . . 10.01 . . . . A 30 . N A 30 . HN parsed_2k5b 1
44 . . . . . . . . . . . . . . . . -3.27 . . . . A 32 . N A 32 . HN parsed_2k5b 1
45 . . . . . . . . . . . . . . . . 0.91 . . . . A 35 . N A 35 . HN parsed_2k5b 1
46 . . . . . . . . . . . . . . . . -8.79 . . . . A 39 . N A 39 . HN parsed_2k5b 1
47 . . . . . . . . . . . . . . . . 5.32 . . . . A 42 . N A 42 . HN parsed_2k5b 1
48 . . . . . . . . . . . . . . . . -11.28 . . . . A 46 . N A 46 . HN parsed_2k5b 1
49 . . . . . . . . . . . . . . . . -13.49 . . . . A 50 . N A 50 . HN parsed_2k5b 1
50 . . . . . . . . . . . . . . . . -7.60 . . . . A 53 . N A 53 . HN parsed_2k5b 1
51 . . . . . . . . . . . . . . . . -12.13 . . . . A 55 . N A 55 . HN parsed_2k5b 1
52 . . . . . . . . . . . . . . . . -5.96 . . . . A 56 . N A 56 . HN parsed_2k5b 1
53 . . . . . . . . . . . . . . . . -13.98 . . . . A 57 . N A 57 . HN parsed_2k5b 1
54 . . . . . . . . . . . . . . . . -10.14 . . . . A 60 . N A 60 . HN parsed_2k5b 1
55 . . . . . . . . . . . . . . . . -5.61 . . . . A 61 . N A 61 . HN parsed_2k5b 1
56 . . . . . . . . . . . . . . . . -5.47 . . . . A 63 . N A 63 . HN parsed_2k5b 1
57 . . . . . . . . . . . . . . . . -12.35 . . . . A 64 . N A 64 . HN parsed_2k5b 1
58 . . . . . . . . . . . . . . . . -5.55 . . . . A 68 . N A 68 . HN parsed_2k5b 1
59 . . . . . . . . . . . . . . . . -6.17 . . . . A 72 . N A 72 . HN parsed_2k5b 1
60 . . . . . . . . . . . . . . . . 19.09 . . . . A 79 . N A 79 . HN parsed_2k5b 1
61 . . . . . . . . . . . . . . . . 11.28 . . . . A 80 . N A 80 . HN parsed_2k5b 1
62 . . . . . . . . . . . . . . . . -5.81 . . . . A 83 . N A 83 . HN parsed_2k5b 1
63 . . . . . . . . . . . . . . . . 4.47 . . . . A 90 . N A 90 . HN parsed_2k5b 1
64 . . . . . . . . . . . . . . . . 14.96 . . . . A 91 . N A 91 . HN parsed_2k5b 1
65 . . . . . . . . . . . . . . . . 17.46 . . . . A 92 . N A 92 . HN parsed_2k5b 1
66 . . . . . . . . . . . . . . . . 18.31 . . . . A 93 . N A 93 . HN parsed_2k5b 1
67 . . . . . . . . . . . . . . . . 20.30 . . . . A 94 . N A 94 . HN parsed_2k5b 1
68 . . . . . . . . . . . . . . . . -11.35 . . . . A 95 . N A 95 . HN parsed_2k5b 1
69 . . . . . . . . . . . . . . . . -1.57 . . . . A 96 . N A 96 . HN parsed_2k5b 1
70 . . . . . . . . . . . . . . . . 15.54 . . . . A 97 . N A 97 . HN parsed_2k5b 1
71 . . . . . . . . . . . . . . . . 2.84 . . . . A 123 . N A 123 . HN parsed_2k5b 1
72 . . . . . . . . . . . . . . . . 9.15 . . . . A 125 . N A 125 . HN parsed_2k5b 1
73 . . . . . . . . . . . . . . . . -0.85 . . . . A 129 . N A 129 . HN parsed_2k5b 1
74 . . . . . . . . . . . . . . . . 14.98 . . . . A 135 . N A 135 . HN parsed_2k5b 1
75 . . . . . . . . . . . . . . . . -10.65 . . . . A 137 . N A 137 . HN parsed_2k5b 1
76 . . . . . . . . . . . . . . . . 0.00 . . . . A 139 . N A 139 . HN parsed_2k5b 1
77 . . . . . . . . . . . . . . . . -6.53 . . . . A 142 . N A 142 . HN parsed_2k5b 1
78 . . . . . . . . . . . . . . . . -7.73 . . . . A 144 . N A 144 . HN parsed_2k5b 1
79 . . . . . . . . . . . . . . . . -7.23 . . . . A 145 . N A 145 . HN parsed_2k5b 1
80 . . . . . . . . . . . . . . . . -7.38 . . . . A 146 . N A 146 . HN parsed_2k5b 1
81 . . . . . . . . . . . . . . . . 18.17 . . . . A 149 . N A 149 . HN parsed_2k5b 1
82 . . . . . . . . . . . . . . . . 18.45 . . . . A 150 . N A 150 . HN parsed_2k5b 1
83 . . . . . . . . . . . . . . . . 18.31 . . . . A 151 . N A 151 . HN parsed_2k5b 1
84 . . . . . . . . . . . . . . . . 18.02 . . . . A 152 . N A 152 . HN parsed_2k5b 1
85 . . . . . . . . . . . . . . . . 1.99 . . . . A 155 . N A 155 . HN parsed_2k5b 1
86 . . . . . . . . . . . . . . . . 10.93 . . . . A 157 . N A 157 . HN parsed_2k5b 1
87 . . . . . . . . . . . . . . . . 6.25 . . . . A 158 . N A 158 . HN parsed_2k5b 1
88 . . . . . . . . . . . . . . . . 9.16 . . . . A 160 . N A 160 . HN parsed_2k5b 1
89 . . . . . . . . . . . . . . . . 16.60 . . . . A 163 . N A 163 . HN parsed_2k5b 1
90 . . . . . . . . . . . . . . . . 15.26 . . . . A 164 . N A 164 . HN parsed_2k5b 1
91 . . . . . . . . . . . . . . . . 10.64 . . . . A 170 . N A 170 . HN parsed_2k5b 1
92 . . . . . . . . . . . . . . . . 16.61 . . . . A 171 . N A 171 . HN parsed_2k5b 1
93 . . . . . . . . . . . . . . . . -12.35 . . . . A 175 . N A 175 . HN parsed_2k5b 1
94 . . . . . . . . . . . . . . . . -8.87 . . . . A 177 . N A 177 . HN parsed_2k5b 1
95 . . . . . . . . . . . . . . . . -4.79 . . . . A 178 . N A 178 . HN parsed_2k5b 1
96 . . . . . . . . . . . . . . . . 10.07 . . . . A 180 . N A 180 . HN parsed_2k5b 1
97 . . . . . . . . . . . . . . . . 16.31 . . . . A 181 . N A 181 . HN parsed_2k5b 1
98 . . . . . . . . . . . . . . . . 9.51 . . . . A 182 . N A 182 . HN parsed_2k5b 1
99 . . . . . . . . . . . . . . . . 10.00 . . . . A 183 . N A 183 . HN parsed_2k5b 1
100 . . . . . . . . . . . . . . . . 16.47 . . . . A 185 . N A 185 . HN parsed_2k5b 1
101 . . . . . . . . . . . . . . . . 15.10 . . . . A 186 . N A 186 . HN parsed_2k5b 1
102 . . . . . . . . . . . . . . . . 19.79 . . . . A 187 . N A 187 . HN parsed_2k5b 1
103 . . . . . . . . . . . . . . . . 11.57 . . . . A 188 . N A 188 . HN parsed_2k5b 1
104 . . . . . . . . . . . . . . . . 3.62 . . . . A 189 . N A 189 . HN parsed_2k5b 1
105 . . . . . . . . . . . . . . . . -1.43 . . . . A 190 . N A 190 . HN parsed_2k5b 1
106 . . . . . . . . . . . . . . . . 14.62 . . . . A 192 . N A 192 . HN parsed_2k5b 1
107 . . . . . . . . . . . . . . . . 8.43 . . . . A 193 . N A 193 . HN parsed_2k5b 1
108 . . . . . . . . . . . . . . . . -11.49 . . . . A 195 . N A 195 . HN parsed_2k5b 1
109 . . . . . . . . . . . . . . . . -12.85 . . . . A 196 . N A 196 . HN parsed_2k5b 1
110 . . . . . . . . . . . . . . . . 6.46 . . . . A 197 . N A 197 . HN parsed_2k5b 1
111 . . . . . . . . . . . . . . . . -8.37 . . . . A 201 . N A 201 . HN parsed_2k5b 1
112 . . . . . . . . . . . . . . . . -2.69 . . . . A 202 . N A 202 . HN parsed_2k5b 1
113 . . . . . . . . . . . . . . . . -8.02 . . . . A 204 . N A 204 . HN parsed_2k5b 1
114 . . . . . . . . . . . . . . . . -6.46 . . . . A 210 . N A 210 . HN parsed_2k5b 1
115 . . . . . . . . . . . . . . . . -7.10 . . . . A 211 . N A 211 . HN parsed_2k5b 1
116 . . . . . . . . . . . . . . . . -9.36 . . . . A 216 . N A 216 . HN parsed_2k5b 1
117 . . . . . . . . . . . . . . . . 17.53 . . . . A 218 . N A 218 . HN parsed_2k5b 1
118 . . . . . . . . . . . . . . . . 16.39 . . . . A 220 . N A 220 . HN parsed_2k5b 1
119 . . . . . . . . . . . . . . . . 4.46 . . . . A 221 . N A 221 . HN parsed_2k5b 1
120 . . . . . . . . . . . . . . . . -4.93 . . . . A 223 . N A 223 . HN parsed_2k5b 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 "assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (resid 149 and name N and segid B) (resid 149 and name HN and segid B) 0.00 1.50" 1 1 1 184 parsed_2k5b 1
stop_
save_
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