NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51736 |
2k9u   |
16002 | cing | 2-parsed | STAR | dihedral angle | 80 |
data_2k9u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k9u
_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_2k9u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k9u
_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 2k9u "Master copy" parsed_2k9u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k9u
_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 2k9u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k9u 1
1 2k9u.mr . . XPLOR/CNS 2 distance NOE simple 1561 parsed_2k9u 1
1 2k9u.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 92 parsed_2k9u 1
1 2k9u.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 80 parsed_2k9u 1
1 2k9u.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k9u 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k9u
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107 -47 . A 18 . c A 19 . n A 19 . ca A 19 . c parsed_2k9u 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 8 . A 19 . n A 19 . ca A 19 . c A 20 . n parsed_2k9u 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158 -98 . A 21 . c A 22 . n A 22 . ca A 22 . c parsed_2k9u 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121 181 . A 22 . n A 22 . ca A 22 . c A 23 . n parsed_2k9u 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -88 . A 22 . c A 23 . n A 23 . ca A 23 . c parsed_2k9u 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114 174 . A 23 . n A 23 . ca A 23 . c A 24 . n parsed_2k9u 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -38 . A 24 . c A 25 . n A 25 . ca A 25 . c parsed_2k9u 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95 195 . A 25 . n A 25 . ca A 25 . c A 26 . n parsed_2k9u 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132 -72 . A 31 . c A 32 . n A 32 . ca A 32 . c parsed_2k9u 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 156 . A 32 . n A 32 . ca A 32 . c A 33 . n parsed_2k9u 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126 -66 . A 34 . c A 35 . n A 35 . ca A 35 . c parsed_2k9u 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 175 . A 35 . n A 35 . ca A 35 . c A 36 . n parsed_2k9u 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146 -46 . A 35 . c A 36 . n A 36 . ca A 36 . c parsed_2k9u 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91 151 . A 36 . n A 36 . ca A 36 . c A 37 . n parsed_2k9u 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -97 . A 39 . c A 40 . n A 40 . ca A 40 . c parsed_2k9u 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118 178 . A 40 . n A 40 . ca A 40 . c A 41 . n parsed_2k9u 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114 -54 . A 47 . c A 48 . n A 48 . ca A 48 . c parsed_2k9u 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 163 . A 48 . n A 48 . ca A 48 . c A 49 . n parsed_2k9u 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144 -84 . A 51 . c A 52 . n A 52 . ca A 52 . c parsed_2k9u 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 156 . A 52 . n A 52 . ca A 52 . c A 53 . n parsed_2k9u 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -87 . A 52 . c A 53 . n A 53 . ca A 53 . c parsed_2k9u 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 161 . A 53 . n A 53 . ca A 53 . c A 54 . n parsed_2k9u 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138 -78 . A 53 . c A 54 . n A 54 . ca A 54 . c parsed_2k9u 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 167 . A 54 . n A 54 . ca A 54 . c A 55 . n parsed_2k9u 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128 -88 . A 54 . c A 55 . n A 55 . ca A 55 . c parsed_2k9u 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 156 . A 55 . n A 55 . ca A 55 . c A 56 . n parsed_2k9u 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -81 . A 55 . c A 56 . n A 56 . ca A 56 . c parsed_2k9u 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 197 . A 56 . n A 56 . ca A 56 . c A 57 . n parsed_2k9u 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167 -27 . A 59 . c A 60 . n A 60 . ca A 60 . c parsed_2k9u 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85 185 . A 60 . n A 60 . ca A 60 . c A 61 . n parsed_2k9u 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -59 . A 62 . c A 63 . n A 63 . ca A 63 . c parsed_2k9u 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95 155 . A 63 . n A 63 . ca A 63 . c A 64 . n parsed_2k9u 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149 -69 . A 63 . c A 64 . n A 64 . ca A 64 . c parsed_2k9u 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 175 . A 64 . n A 64 . ca A 64 . c A 65 . n parsed_2k9u 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -87 . A 64 . c A 65 . n A 65 . ca A 65 . c parsed_2k9u 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116 176 . A 65 . n A 65 . ca A 65 . c A 66 . n parsed_2k9u 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -81 . A 65 . c A 66 . n A 66 . ca A 66 . c parsed_2k9u 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76 176 . A 66 . n A 66 . ca A 66 . c A 67 . n parsed_2k9u 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134 -74 . A 66 . c A 67 . n A 67 . ca A 67 . c parsed_2k9u 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68 168 . A 67 . n A 67 . ca A 67 . c A 68 . n parsed_2k9u 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156 -96 . A 71 . c A 72 . n A 72 . ca A 72 . c parsed_2k9u 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 189 . A 72 . n A 72 . ca A 72 . c A 73 . n parsed_2k9u 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -57 . A 72 . c A 73 . n A 73 . ca A 73 . c parsed_2k9u 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . A 73 . n A 73 . ca A 73 . c A 74 . n parsed_2k9u 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137 -77 . A 74 . c A 75 . n A 75 . ca A 75 . c parsed_2k9u 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88 148 . A 75 . n A 75 . ca A 75 . c A 76 . n parsed_2k9u 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136 -76 . A 75 . c A 76 . n A 76 . ca A 76 . c parsed_2k9u 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 167 . A 76 . n A 76 . ca A 76 . c A 77 . n parsed_2k9u 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156 -96 . A 77 . c A 78 . n A 78 . ca A 78 . c parsed_2k9u 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 189 . A 78 . n A 78 . ca A 78 . c A 79 . n parsed_2k9u 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161 -61 . A 78 . c A 79 . n A 79 . ca A 79 . c parsed_2k9u 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 187 . A 79 . n A 79 . ca A 79 . c A 80 . n parsed_2k9u 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161 -61 . A 80 . c A 81 . n A 81 . ca A 81 . c parsed_2k9u 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92 192 . A 81 . n A 81 . ca A 81 . c A 82 . n parsed_2k9u 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -67 . A 84 . c A 85 . n A 85 . ca A 85 . c parsed_2k9u 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82 182 . A 85 . n A 85 . ca A 85 . c A 86 . n parsed_2k9u 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139 -79 . A 85 . c A 86 . n A 86 . ca A 86 . c parsed_2k9u 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 150 . A 86 . n A 86 . ca A 86 . c A 87 . n parsed_2k9u 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126 -86 . A 86 . c A 87 . n A 87 . ca A 87 . c parsed_2k9u 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108 148 . A 87 . n A 87 . ca A 87 . c A 88 . n parsed_2k9u 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158 -58 . A 87 . c A 88 . n A 88 . ca A 88 . c parsed_2k9u 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 150 . A 88 . n A 88 . ca A 88 . c A 89 . n parsed_2k9u 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . A 88 . c A 89 . n A 89 . ca A 89 . c parsed_2k9u 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 187 . A 89 . n A 89 . ca A 89 . c A 90 . n parsed_2k9u 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -87 . A 89 . c A 90 . n A 90 . ca A 90 . c parsed_2k9u 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123 183 . A 90 . n A 90 . ca A 90 . c A 91 . n parsed_2k9u 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139 -79 . A 90 . c A 91 . n A 91 . ca A 91 . c parsed_2k9u 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 154 . A 91 . n A 91 . ca A 91 . c A 92 . n parsed_2k9u 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117 -57 . A 98 . c A 99 . n A 99 . ca A 99 . c parsed_2k9u 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84 184 . A 99 . n A 99 . ca A 99 . c A 100 . n parsed_2k9u 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138 -78 . A 100 . c A 101 . n A 101 . ca A 101 . c parsed_2k9u 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71 171 . A 101 . n A 101 . ca A 101 . c A 102 . n parsed_2k9u 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128 -68 . A 102 . c A 103 . n A 103 . ca A 103 . c parsed_2k9u 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78 178 . A 103 . n A 103 . ca A 103 . c A 104 . n parsed_2k9u 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -35 . A 103 . c A 104 . n A 104 . ca A 104 . c parsed_2k9u 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73 173 . A 104 . n A 104 . ca A 104 . c A 105 . n parsed_2k9u 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -75 . A 104 . c A 105 . n A 105 . ca A 105 . c parsed_2k9u 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75 175 . A 105 . n A 105 . ca A 105 . c A 106 . n parsed_2k9u 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -48 . A 105 . c A 106 . n A 106 . ca A 106 . c parsed_2k9u 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 180 . A 106 . n A 106 . ca A 106 . c A 107 . n parsed_2k9u 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 H19 2 1 2 6 parsed_2k9u 1
2 R22 7 1 7 6 parsed_2k9u 1
3 A23 12 1 12 6 parsed_2k9u 1
4 G25 17 1 17 6 parsed_2k9u 1
5 V32 22 1 22 6 parsed_2k9u 1
6 V35 27 1 27 6 parsed_2k9u 1
7 P36 32 1 32 6 parsed_2k9u 1
8 S40 37 1 37 6 parsed_2k9u 1
9 A48 42 1 42 6 parsed_2k9u 1
10 S52 47 1 47 6 parsed_2k9u 1
11 I53 52 1 52 6 parsed_2k9u 1
12 A54 57 1 57 6 parsed_2k9u 1
13 V55 62 1 62 6 parsed_2k9u 1
14 E56 67 1 67 6 parsed_2k9u 1
15 K60 72 1 72 6 parsed_2k9u 1
16 I63 77 1 77 6 parsed_2k9u 1
17 A64 82 1 82 6 parsed_2k9u 1
18 F65 87 1 87 6 parsed_2k9u 1
19 E66 92 1 92 6 parsed_2k9u 1
20 D67 97 1 97 6 parsed_2k9u 1
21 S72 102 1 102 6 parsed_2k9u 1
22 C73 107 1 107 6 parsed_2k9u 1
23 V75 112 1 112 6 parsed_2k9u 1
24 S76 117 1 117 6 parsed_2k9u 1
25 V78 122 1 122 6 parsed_2k9u 1
26 V79 127 1 127 6 parsed_2k9u 1
27 E81 132 1 132 6 parsed_2k9u 1
28 Y85 138 1 138 6 parsed_2k9u 1
29 E86 143 1 143 6 parsed_2k9u 1
30 V87 148 1 148 6 parsed_2k9u 1
31 S88 153 1 153 6 parsed_2k9u 1
32 I89 158 1 158 6 parsed_2k9u 1
33 K90 163 1 163 6 parsed_2k9u 1
34 F91 168 1 168 6 parsed_2k9u 1
35 S99 174 1 174 6 parsed_2k9u 1
36 F101 179 1 179 7 parsed_2k9u 1
37 V103 184 1 184 7 parsed_2k9u 1
38 P104 189 1 189 7 parsed_2k9u 1
39 V105 194 1 194 7 parsed_2k9u 1
40 A106 199 1 199 7 parsed_2k9u 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 Talos 1 1 1 5 parsed_2k9u 1
stop_
save_
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