NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
653662 |
7jsq   |
30656 | cing | 2-parsed | STAR | dihedral angle | 77 |
data_7jsq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7jsq
_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_7jsq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7jsq
_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 7jsq "Master copy" parsed_7jsq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7jsq
_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 7jsq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7jsq 1
1 7jsq.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 77 parsed_7jsq 1
1 7jsq.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_7jsq 1
1 7jsq.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_7jsq 1
1 7jsq.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_7jsq 1
1 7jsq.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7jsq 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_7jsq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.04 -56.76 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_7jsq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.79 -68.37 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_7jsq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.38 -61.16 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_7jsq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.21 -72.65 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_7jsq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.55 -70.87 . . 140 . C . 141 . N . 141 . CA . 141 . C parsed_7jsq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.76 -91.50 . . 141 . C . 142 . N . 142 . CA . 142 . C parsed_7jsq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.75 -60.87 . . 142 . C . 143 . N . 143 . CA . 143 . C parsed_7jsq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.53 -73.77 . . 143 . C . 144 . N . 144 . CA . 144 . C parsed_7jsq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.05 -80.43 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_7jsq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.35 -58.09 . . 145 . C . 146 . N . 146 . CA . 146 . C parsed_7jsq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.25 -74.25 . . 146 . C . 147 . N . 147 . CA . 147 . C parsed_7jsq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.04 -60.76 . . 149 . C . 150 . N . 150 . CA . 150 . C parsed_7jsq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.50 -77.08 . . 151 . C . 152 . N . 152 . CA . 152 . C parsed_7jsq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.97 -84.19 . . 152 . C . 153 . N . 153 . CA . 153 . C parsed_7jsq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.49 -84.19 . . 153 . C . 154 . N . 154 . CA . 154 . C parsed_7jsq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.89 -86.89 . . 154 . C . 155 . N . 155 . CA . 155 . C parsed_7jsq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.69 -83.69 . . 155 . C . 156 . N . 156 . CA . 156 . C parsed_7jsq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.40 -82.24 . . 156 . C . 157 . N . 157 . CA . 157 . C parsed_7jsq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.10 -80.10 . . 157 . C . 158 . N . 158 . CA . 158 . C parsed_7jsq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.19 -72.95 . . 158 . C . 159 . N . 159 . CA . 159 . C parsed_7jsq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.04 -31.04 . . 159 . C . 160 . N . 160 . CA . 160 . C parsed_7jsq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.13 120.21 . . 160 . C . 161 . N . 161 . CA . 161 . C parsed_7jsq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.99 -64.49 . . 161 . C . 162 . N . 162 . CA . 162 . C parsed_7jsq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.34 -88.60 . . 162 . C . 163 . N . 163 . CA . 163 . C parsed_7jsq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.45 -78.01 . . 163 . C . 164 . N . 164 . CA . 164 . C parsed_7jsq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.20 -88.08 . . 164 . C . 165 . N . 165 . CA . 165 . C parsed_7jsq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.44 -76.74 . . 165 . C . 166 . N . 166 . CA . 166 . C parsed_7jsq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.98 -82.78 . . 166 . C . 167 . N . 167 . CA . 167 . C parsed_7jsq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.44 -96.54 . . 167 . C . 168 . N . 168 . CA . 168 . C parsed_7jsq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.62 -83.48 . . 168 . C . 169 . N . 169 . CA . 169 . C parsed_7jsq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.30 117.58 . . 170 . C . 171 . N . 171 . CA . 171 . C parsed_7jsq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.80 -55.70 . . 171 . C . 172 . N . 172 . CA . 172 . C parsed_7jsq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.99 -69.37 . . 173 . C . 174 . N . 174 . CA . 174 . C parsed_7jsq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.73 -88.83 . . 174 . C . 175 . N . 175 . CA . 175 . C parsed_7jsq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.76 -87.48 . . 175 . C . 176 . N . 176 . CA . 176 . C parsed_7jsq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.23 -71.03 . . 176 . C . 177 . N . 177 . CA . 177 . C parsed_7jsq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.30 116.64 . . 179 . C . 180 . N . 180 . CA . 180 . C parsed_7jsq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.35 -64.49 . . 180 . C . 181 . N . 181 . CA . 181 . C parsed_7jsq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.59 -56.99 . . 181 . C . 182 . N . 182 . CA . 182 . C parsed_7jsq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.04 -61.16 . . 182 . C . 183 . N . 183 . CA . 183 . C parsed_7jsq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.65 7.35 . . 136 . N . 136 . CA . 136 . C . 137 . N parsed_7jsq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.06 173.10 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_7jsq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.24 168.66 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_7jsq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.17 167.45 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_7jsq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.22 160.08 . . 141 . N . 141 . CA . 141 . C . 142 . N parsed_7jsq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.64 167.00 . . 142 . N . 142 . CA . 142 . C . 143 . N parsed_7jsq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.22 168.66 . . 143 . N . 143 . CA . 143 . C . 144 . N parsed_7jsq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.64 168.66 . . 144 . N . 144 . CA . 144 . C . 145 . N parsed_7jsq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.98 172.70 . . 145 . N . 145 . CA . 145 . C . 146 . N parsed_7jsq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.00 153.74 . . 146 . N . 146 . CA . 146 . C . 147 . N parsed_7jsq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.17 157.01 . . 147 . N . 147 . CA . 147 . C . 148 . N parsed_7jsq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.28 26.78 . . 149 . N . 149 . CA . 149 . C . 150 . N parsed_7jsq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.39 197.37 . . 150 . N . 150 . CA . 150 . C . 151 . N parsed_7jsq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.47 146.95 . . 151 . N . 151 . CA . 151 . C . 152 . N parsed_7jsq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.56 150.56 . . 152 . N . 152 . CA . 152 . C . 153 . N parsed_7jsq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.99 160.93 . . 153 . N . 153 . CA . 153 . C . 154 . N parsed_7jsq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.95 150.93 . . 154 . N . 154 . CA . 154 . C . 155 . N parsed_7jsq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.81 147.43 . . 155 . N . 155 . CA . 155 . C . 156 . N parsed_7jsq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.51 154.51 . . 156 . N . 156 . CA . 156 . C . 157 . N parsed_7jsq 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.32 151.26 . . 157 . N . 157 . CA . 157 . C . 158 . N parsed_7jsq 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.80 153.80 . . 158 . N . 158 . CA . 158 . C . 159 . N parsed_7jsq 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.28 28.88 . . 161 . N . 161 . CA . 161 . C . 162 . N parsed_7jsq 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.38 198.28 . . 162 . N . 162 . CA . 162 . C . 163 . N parsed_7jsq 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.27 164.23 . . 163 . N . 163 . CA . 163 . C . 164 . N parsed_7jsq 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.18 159.38 . . 164 . N . 164 . CA . 164 . C . 165 . N parsed_7jsq 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.72 155.72 . . 165 . N . 165 . CA . 165 . C . 166 . N parsed_7jsq 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.56 163.58 . . 166 . N . 166 . CA . 166 . C . 167 . N parsed_7jsq 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.40 154.40 . . 167 . N . 167 . CA . 167 . C . 168 . N parsed_7jsq 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.56 169.58 . . 168 . N . 168 . CA . 168 . C . 169 . N parsed_7jsq 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.27 157.45 . . 169 . N . 169 . CA . 169 . C . 170 . N parsed_7jsq 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.61 190.37 . . 172 . N . 172 . CA . 172 . C . 173 . N parsed_7jsq 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.35 7.79 . . 174 . N . 174 . CA . 174 . C . 175 . N parsed_7jsq 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.38 186.10 . . 175 . N . 175 . CA . 175 . C . 176 . N parsed_7jsq 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.56 177.82 . . 176 . N . 176 . CA . 176 . C . 177 . N parsed_7jsq 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.67 168.79 . . 177 . N . 177 . CA . 177 . C . 178 . N parsed_7jsq 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.93 168.51 . . 181 . N . 181 . CA . 181 . C . 182 . N parsed_7jsq 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.04 156.38 . . 182 . N . 182 . CA . 182 . C . 183 . N parsed_7jsq 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
generated by convertToTalos
Xplor-NIH version 2.50
date: 2020/01/15 09:53:41
PHI restraints
;
2 1 6 17 parsed_7jsq 1
2
;
assign
( resid 148 and name C)
( resid 149 and name N)
( resid 149 and name CA)
( resid 149 and name C)
1.0 82.44 35.14 2
;
73 1 78 21 parsed_7jsq 1
3
;
assign
( resid 150 and name C)
( resid 151 and name N)
( resid 151 and name CA)
( resid 151 and name C)
1.0 -91.80 34.79 2
;
85 1 90 22 parsed_7jsq 1
4
;
assign
( resid 178 and name C)
( resid 179 and name N)
( resid 179 and name CA)
( resid 179 and name C)
1.0 -79.02 47.47 2
;
235 1 240 22 parsed_7jsq 1
5 "PSI restraints" 266 1 266 17 parsed_7jsq 1
6
;
assign
( resid 159 and name N)
( resid 159 and name CA)
( resid 159 and name C)
( resid 160 and name N)
1.0 145.53 52.49 2
assign
( resid 160 and name N)
( resid 160 and name CA)
( resid 160 and name C)
( resid 161 and name N)
1.0 127.05 30.00 2
;
393 1 404 22 parsed_7jsq 1
7
;
assign
( resid 171 and name N)
( resid 171 and name CA)
( resid 171 and name C)
( resid 172 and name N)
1.0 -7.25 31.03 2
;
459 1 464 21 parsed_7jsq 1
8
;
assign
( resid 179 and name N)
( resid 179 and name CA)
( resid 179 and name C)
( resid 180 and name N)
1.0 133.20 31.54 2
assign
( resid 180 and name N)
( resid 180 and name CA)
( resid 180 and name C)
( resid 181 and name N)
1.0 -7.25 31.03 2
;
495 1 506 21 parsed_7jsq 1
9
;
assign
( resid 183 and name N)
( resid 183 and name CA)
( resid 183 and name C)
( resid 184 and name N)
1.0 148.01 33.36 2
;
519 1 524 22 parsed_7jsq 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: CDIH_v1.tbl" 1 1 1 32 parsed_7jsq 1
stop_
save_
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