NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
30538 |
1crp   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 109 |
data_1crp_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1crp
_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_1crp 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1crp
_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 1crp "Master copy" parsed_1crp
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1crp
_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 1crp.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . XPLOR/CNS 2 distance NOE simple 3167 parsed_1crp 1
1 1crp.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 109 parsed_1crp 1
1 1crp.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1crp 1
1 1crp.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . XPLOR/CNS 8 distance "general distance" simple 0 parsed_1crp 1
1 1crp.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1crp 1
1 1crp.mr . . "MR format" 12 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1crp 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1crp
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1crp 1
2 1 . . . parsed_1crp 1
3 1 . . . parsed_1crp 1
4 1 . . . parsed_1crp 1
5 1 . . . parsed_1crp 1
6 1 . . . parsed_1crp 1
7 1 . . . parsed_1crp 1
8 1 . . . parsed_1crp 1
9 1 . . . parsed_1crp 1
10 1 . . . parsed_1crp 1
11 1 . . . parsed_1crp 1
12 1 . . . parsed_1crp 1
13 1 . . . parsed_1crp 1
14 1 . . . parsed_1crp 1
15 1 . . . parsed_1crp 1
16 1 . . . parsed_1crp 1
17 1 . . . parsed_1crp 1
18 1 . . . parsed_1crp 1
19 1 . . . parsed_1crp 1
20 1 . . . parsed_1crp 1
21 1 . . . parsed_1crp 1
22 1 . . . parsed_1crp 1
23 1 . . . parsed_1crp 1
24 1 . . . parsed_1crp 1
25 1 . . . parsed_1crp 1
26 1 . . . parsed_1crp 1
27 1 . . . parsed_1crp 1
28 1 . . . parsed_1crp 1
29 1 . . . parsed_1crp 1
30 1 . . . parsed_1crp 1
31 1 . . . parsed_1crp 1
32 1 . . . parsed_1crp 1
33 1 . . . parsed_1crp 1
34 1 . . . parsed_1crp 1
35 1 . . . parsed_1crp 1
36 1 . . . parsed_1crp 1
37 1 . . . parsed_1crp 1
38 1 . . . parsed_1crp 1
39 1 . . . parsed_1crp 1
40 1 . . . parsed_1crp 1
41 1 . . . parsed_1crp 1
42 1 . . . parsed_1crp 1
43 1 . . . parsed_1crp 1
44 1 . . . parsed_1crp 1
45 1 . . . parsed_1crp 1
46 1 . . . parsed_1crp 1
47 1 . . . parsed_1crp 1
48 1 . . . parsed_1crp 1
49 1 . . . parsed_1crp 1
50 1 . . . parsed_1crp 1
51 1 . . . parsed_1crp 1
52 1 . . . parsed_1crp 1
53 1 . . . parsed_1crp 1
54 1 . . . parsed_1crp 1
55 1 . . . parsed_1crp 1
56 1 . . . parsed_1crp 1
57 1 . . . parsed_1crp 1
58 1 . . . parsed_1crp 1
59 1 . . . parsed_1crp 1
60 1 . . . parsed_1crp 1
61 1 . . . parsed_1crp 1
62 1 . . . parsed_1crp 1
63 1 . . . parsed_1crp 1
64 1 . . . parsed_1crp 1
65 1 . . . parsed_1crp 1
66 1 . . . parsed_1crp 1
67 1 . . . parsed_1crp 1
68 1 . . . parsed_1crp 1
69 1 . . . parsed_1crp 1
70 1 . . . parsed_1crp 1
71 1 . . . parsed_1crp 1
72 1 . . . parsed_1crp 1
73 1 . . . parsed_1crp 1
74 1 . . . parsed_1crp 1
75 1 . . . parsed_1crp 1
76 1 . . . parsed_1crp 1
77 1 . . . parsed_1crp 1
78 1 . . . parsed_1crp 1
79 1 . . . parsed_1crp 1
80 1 . . . parsed_1crp 1
81 1 . . . parsed_1crp 1
82 1 . . . parsed_1crp 1
83 1 . . . parsed_1crp 1
84 1 . . . parsed_1crp 1
85 1 . . . parsed_1crp 1
86 1 . . . parsed_1crp 1
87 1 . . . parsed_1crp 1
88 1 . . . parsed_1crp 1
89 1 . . . parsed_1crp 1
90 1 . . . parsed_1crp 1
91 1 . . . parsed_1crp 1
92 1 . . . parsed_1crp 1
93 1 . . . parsed_1crp 1
94 1 . . . parsed_1crp 1
95 1 . . . parsed_1crp 1
96 1 . . . parsed_1crp 1
97 1 . . . parsed_1crp 1
98 1 . . . parsed_1crp 1
99 1 . . . parsed_1crp 1
100 1 . . . parsed_1crp 1
101 1 . . . parsed_1crp 1
102 1 . . . parsed_1crp 1
103 1 . . . parsed_1crp 1
104 1 . . . parsed_1crp 1
105 1 . . . parsed_1crp 1
106 1 . . . parsed_1crp 1
107 1 . . . parsed_1crp 1
108 1 . . . parsed_1crp 1
109 1 . . . parsed_1crp 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 4 . HN parsed_1crp 1
1 1 2 . . . . . . . . . 52 . O parsed_1crp 1
2 1 1 . . . . . . . . . 4 . N parsed_1crp 1
2 1 2 . . . . . . . . . 52 . O parsed_1crp 1
3 1 1 . . . . . . . . . 5 . HN parsed_1crp 1
3 1 2 . . . . . . . . . 76 . OE1 parsed_1crp 1
4 1 1 . . . . . . . . . 5 . N parsed_1crp 1
4 1 2 . . . . . . . . . 76 . OE1 parsed_1crp 1
5 1 1 . . . . . . . . . 6 . HN parsed_1crp 1
5 1 2 . . . . . . . . . 54 . O parsed_1crp 1
6 1 1 . . . . . . . . . 6 . N parsed_1crp 1
6 1 2 . . . . . . . . . 54 . O parsed_1crp 1
7 1 1 . . . . . . . . . 7 . HN parsed_1crp 1
7 1 2 . . . . . . . . . 77 . O parsed_1crp 1
8 1 1 . . . . . . . . . 7 . N parsed_1crp 1
8 1 2 . . . . . . . . . 77 . O parsed_1crp 1
9 1 1 . . . . . . . . . 8 . HN parsed_1crp 1
9 1 2 . . . . . . . . . 56 . O parsed_1crp 1
10 1 1 . . . . . . . . . 8 . N parsed_1crp 1
10 1 2 . . . . . . . . . 56 . O parsed_1crp 1
11 1 1 . . . . . . . . . 9 . HN parsed_1crp 1
11 1 2 . . . . . . . . . 79 . O parsed_1crp 1
12 1 1 . . . . . . . . . 9 . N parsed_1crp 1
12 1 2 . . . . . . . . . 79 . O parsed_1crp 1
13 1 1 . . . . . . . . . 19 . HN parsed_1crp 1
13 1 2 . . . . . . . . . 15 . O parsed_1crp 1
14 1 1 . . . . . . . . . 19 . N parsed_1crp 1
14 1 2 . . . . . . . . . 15 . O parsed_1crp 1
15 1 1 . . . . . . . . . 20 . HN parsed_1crp 1
15 1 2 . . . . . . . . . 16 . O parsed_1crp 1
16 1 1 . . . . . . . . . 20 . N parsed_1crp 1
16 1 2 . . . . . . . . . 16 . O parsed_1crp 1
17 1 1 . . . . . . . . . 21 . HN parsed_1crp 1
17 1 2 . . . . . . . . . 17 . O parsed_1crp 1
18 1 1 . . . . . . . . . 21 . N parsed_1crp 1
18 1 2 . . . . . . . . . 17 . O parsed_1crp 1
19 1 1 . . . . . . . . . 22 . HN parsed_1crp 1
19 1 2 . . . . . . . . . 18 . O parsed_1crp 1
20 1 1 . . . . . . . . . 22 . N parsed_1crp 1
20 1 2 . . . . . . . . . 18 . O parsed_1crp 1
21 1 1 . . . . . . . . . 23 . HN parsed_1crp 1
21 1 2 . . . . . . . . . 19 . O parsed_1crp 1
22 1 1 . . . . . . . . . 23 . N parsed_1crp 1
22 1 2 . . . . . . . . . 19 . O parsed_1crp 1
23 1 1 . . . . . . . . . 24 . HN parsed_1crp 1
23 1 2 . . . . . . . . . 20 . O parsed_1crp 1
24 1 1 . . . . . . . . . 24 . N parsed_1crp 1
24 1 2 . . . . . . . . . 20 . O parsed_1crp 1
25 1 1 . . . . . . . . . 40 . HN parsed_1crp 1
25 1 2 . . . . . . . . . 55 . O parsed_1crp 1
26 1 1 . . . . . . . . . 40 . N parsed_1crp 1
26 1 2 . . . . . . . . . 55 . O parsed_1crp 1
27 1 1 . . . . . . . . . 52 . HN parsed_1crp 1
27 1 2 . . . . . . . . . 2 . O parsed_1crp 1
28 1 1 . . . . . . . . . 52 . N parsed_1crp 1
28 1 2 . . . . . . . . . 2 . O parsed_1crp 1
29 1 1 . . . . . . . . . 53 . HN parsed_1crp 1
29 1 2 . . . . . . . . . 42 . O parsed_1crp 1
30 1 1 . . . . . . . . . 53 . N parsed_1crp 1
30 1 2 . . . . . . . . . 42 . O parsed_1crp 1
31 1 1 . . . . . . . . . 54 . HN parsed_1crp 1
31 1 2 . . . . . . . . . 4 . O parsed_1crp 1
32 1 1 . . . . . . . . . 54 . N parsed_1crp 1
32 1 2 . . . . . . . . . 4 . O parsed_1crp 1
33 1 1 . . . . . . . . . 55 . HN parsed_1crp 1
33 1 2 . . . . . . . . . 40 . O parsed_1crp 1
34 1 1 . . . . . . . . . 55 . N parsed_1crp 1
34 1 2 . . . . . . . . . 40 . O parsed_1crp 1
35 1 1 . . . . . . . . . 56 . HN parsed_1crp 1
35 1 2 . . . . . . . . . 6 . O parsed_1crp 1
36 1 1 . . . . . . . . . 56 . N parsed_1crp 1
36 1 2 . . . . . . . . . 6 . O parsed_1crp 1
37 1 1 . . . . . . . . . 77 . HN parsed_1crp 1
37 1 2 . . . . . . . . . 5 . O parsed_1crp 1
38 1 1 . . . . . . . . . 77 . N parsed_1crp 1
38 1 2 . . . . . . . . . 5 . O parsed_1crp 1
39 1 1 . . . . . . . . . 78 . HN parsed_1crp 1
39 1 2 . . . . . . . . . 110 . O parsed_1crp 1
40 1 1 . . . . . . . . . 78 . N parsed_1crp 1
40 1 2 . . . . . . . . . 110 . O parsed_1crp 1
41 1 1 . . . . . . . . . 79 . HN parsed_1crp 1
41 1 2 . . . . . . . . . 7 . O parsed_1crp 1
42 1 1 . . . . . . . . . 79 . N parsed_1crp 1
42 1 2 . . . . . . . . . 7 . O parsed_1crp 1
43 1 1 . . . . . . . . . 80 . HN parsed_1crp 1
43 1 2 . . . . . . . . . 112 . O parsed_1crp 1
44 1 1 . . . . . . . . . 80 . N parsed_1crp 1
44 1 2 . . . . . . . . . 112 . O parsed_1crp 1
45 1 1 . . . . . . . . . 81 . HN parsed_1crp 1
45 1 2 . . . . . . . . . 9 . O parsed_1crp 1
46 1 1 . . . . . . . . . 81 . N parsed_1crp 1
46 1 2 . . . . . . . . . 9 . O parsed_1crp 1
47 1 1 . . . . . . . . . 82 . HN parsed_1crp 1
47 1 2 . . . . . . . . . 114 . O parsed_1crp 1
48 1 1 . . . . . . . . . 82 . N parsed_1crp 1
48 1 2 . . . . . . . . . 114 . O parsed_1crp 1
49 1 1 . . . . . . . . . 83 . HN parsed_1crp 1
49 1 2 . . . . . . . . . 89 . OG parsed_1crp 1
50 1 1 . . . . . . . . . 83 . N parsed_1crp 1
50 1 2 . . . . . . . . . 89 . OG parsed_1crp 1
51 1 1 . . . . . . . . . 84 . HN parsed_1crp 1
51 1 2 . . . . . . . . . 116 . O parsed_1crp 1
52 1 1 . . . . . . . . . 84 . N parsed_1crp 1
52 1 2 . . . . . . . . . 116 . O parsed_1crp 1
53 1 1 . . . . . . . . . 88 . HN parsed_1crp 1
53 1 2 . . . . . . . . . 86 . OD1 parsed_1crp 1
54 1 1 . . . . . . . . . 88 . N parsed_1crp 1
54 1 2 . . . . . . . . . 86 . OD1 parsed_1crp 1
55 1 1 . . . . . . . . . 89 . HN parsed_1crp 1
55 1 2 . . . . . . . . . 86 . OD1 parsed_1crp 1
56 1 1 . . . . . . . . . 89 . N parsed_1crp 1
56 1 2 . . . . . . . . . 86 . OD1 parsed_1crp 1
57 1 1 . . . . . . . . . 91 . HN parsed_1crp 1
57 1 2 . . . . . . . . . 87 . O parsed_1crp 1
58 1 1 . . . . . . . . . 91 . N parsed_1crp 1
58 1 2 . . . . . . . . . 87 . O parsed_1crp 1
59 1 1 . . . . . . . . . 93 . HN parsed_1crp 1
59 1 2 . . . . . . . . . 89 . O parsed_1crp 1
60 1 1 . . . . . . . . . 93 . N parsed_1crp 1
60 1 2 . . . . . . . . . 89 . O parsed_1crp 1
61 1 1 . . . . . . . . . 94 . HN parsed_1crp 1
61 1 2 . . . . . . . . . 90 . O parsed_1crp 1
62 1 1 . . . . . . . . . 94 . N parsed_1crp 1
62 1 2 . . . . . . . . . 90 . O parsed_1crp 1
63 1 1 . . . . . . . . . 112 . HN parsed_1crp 1
63 1 2 . . . . . . . . . 78 . O parsed_1crp 1
64 1 1 . . . . . . . . . 112 . N parsed_1crp 1
64 1 2 . . . . . . . . . 78 . O parsed_1crp 1
65 1 1 . . . . . . . . . 113 . HN parsed_1crp 1
65 1 2 . . . . . . . . . 140 . O parsed_1crp 1
66 1 1 . . . . . . . . . 113 . N parsed_1crp 1
66 1 2 . . . . . . . . . 140 . O parsed_1crp 1
67 1 1 . . . . . . . . . 114 . HN parsed_1crp 1
67 1 2 . . . . . . . . . 80 . O parsed_1crp 1
68 1 1 . . . . . . . . . 114 . N parsed_1crp 1
68 1 2 . . . . . . . . . 80 . O parsed_1crp 1
69 1 1 . . . . . . . . . 115 . HN parsed_1crp 1
69 1 2 . . . . . . . . . 142 . O parsed_1crp 1
70 1 1 . . . . . . . . . 115 . N parsed_1crp 1
70 1 2 . . . . . . . . . 142 . O parsed_1crp 1
71 1 1 . . . . . . . . . 116 . HN parsed_1crp 1
71 1 2 . . . . . . . . . 82 . O parsed_1crp 1
72 1 1 . . . . . . . . . 116 . N parsed_1crp 1
72 1 2 . . . . . . . . . 82 . O parsed_1crp 1
73 1 1 . . . . . . . . . 117 . HN parsed_1crp 1
73 1 2 . . . . . . . . . 144 . O parsed_1crp 1
74 1 1 . . . . . . . . . 117 . N parsed_1crp 1
74 1 2 . . . . . . . . . 144 . O parsed_1crp 1
75 1 1 . . . . . . . . . 118 . HN parsed_1crp 1
75 1 2 . . . . . . . . . 144 . O parsed_1crp 1
76 1 1 . . . . . . . . . 118 . N parsed_1crp 1
76 1 2 . . . . . . . . . 144 . O parsed_1crp 1
77 1 1 . . . . . . . . . 133 . HN parsed_1crp 1
77 1 2 . . . . . . . . . 129 . O parsed_1crp 1
78 1 1 . . . . . . . . . 133 . N parsed_1crp 1
78 1 2 . . . . . . . . . 129 . O parsed_1crp 1
79 1 1 . . . . . . . . . 134 . HN parsed_1crp 1
79 1 2 . . . . . . . . . 130 . O parsed_1crp 1
80 1 1 . . . . . . . . . 134 . N parsed_1crp 1
80 1 2 . . . . . . . . . 130 . O parsed_1crp 1
81 1 1 . . . . . . . . . 135 . HN parsed_1crp 1
81 1 2 . . . . . . . . . 131 . O parsed_1crp 1
82 1 1 . . . . . . . . . 135 . N parsed_1crp 1
82 1 2 . . . . . . . . . 131 . O parsed_1crp 1
83 1 1 . . . . . . . . . 139 . HN parsed_1crp 1
83 1 2 . . . . . . . . . 134 . O parsed_1crp 1
84 1 1 . . . . . . . . . 139 . N parsed_1crp 1
84 1 2 . . . . . . . . . 134 . O parsed_1crp 1
85 1 1 . . . . . . . . . 142 . HN parsed_1crp 1
85 1 2 . . . . . . . . . 113 . O parsed_1crp 1
86 1 1 . . . . . . . . . 142 . N parsed_1crp 1
86 1 2 . . . . . . . . . 113 . O parsed_1crp 1
87 1 1 . . . . . . . . . 144 . HN parsed_1crp 1
87 1 2 . . . . . . . . . 115 . O parsed_1crp 1
88 1 1 . . . . . . . . . 144 . N parsed_1crp 1
88 1 2 . . . . . . . . . 115 . O parsed_1crp 1
89 1 1 . . . . . . . . . 145 . HN parsed_1crp 1
89 1 2 . . . . . . . . . 150 . O parsed_1crp 1
90 1 1 . . . . . . . . . 145 . N parsed_1crp 1
90 1 2 . . . . . . . . . 150 . O parsed_1crp 1
91 1 1 . . . . . . . . . 145 . HG parsed_1crp 1
91 1 2 . . . . . . . . . 119 . OD1 parsed_1crp 1
92 1 1 . . . . . . . . . 155 . HN parsed_1crp 1
92 1 2 . . . . . . . . . 151 . O parsed_1crp 1
93 1 1 . . . . . . . . . 155 . N parsed_1crp 1
93 1 2 . . . . . . . . . 151 . O parsed_1crp 1
94 1 1 . . . . . . . . . 156 . HN parsed_1crp 1
94 1 2 . . . . . . . . . 152 . O parsed_1crp 1
95 1 1 . . . . . . . . . 156 . N parsed_1crp 1
95 1 2 . . . . . . . . . 152 . O parsed_1crp 1
96 1 1 . . . . . . . . . 157 . HN parsed_1crp 1
96 1 2 . . . . . . . . . 153 . O parsed_1crp 1
97 1 1 . . . . . . . . . 157 . N parsed_1crp 1
97 1 2 . . . . . . . . . 153 . O parsed_1crp 1
98 1 1 . . . . . . . . . 158 . HN parsed_1crp 1
98 1 2 . . . . . . . . . 154 . O parsed_1crp 1
99 1 1 . . . . . . . . . 158 . N parsed_1crp 1
99 1 2 . . . . . . . . . 154 . O parsed_1crp 1
100 1 1 . . . . . . . . . 159 . HN parsed_1crp 1
100 1 2 . . . . . . . . . 155 . O parsed_1crp 1
101 1 1 . . . . . . . . . 159 . N parsed_1crp 1
101 1 2 . . . . . . . . . 155 . O parsed_1crp 1
102 1 1 . . . . . . . . . 160 . HN parsed_1crp 1
102 1 2 . . . . . . . . . 156 . O parsed_1crp 1
103 1 1 . . . . . . . . . 160 . N parsed_1crp 1
103 1 2 . . . . . . . . . 156 . O parsed_1crp 1
104 1 1 . . . . . . . . . 161 . HN parsed_1crp 1
104 1 2 . . . . . . . . . 157 . O parsed_1crp 1
105 1 1 . . . . . . . . . 161 . N parsed_1crp 1
105 1 2 . . . . . . . . . 157 . O parsed_1crp 1
106 1 1 . . . . . . . . . 162 . HN parsed_1crp 1
106 1 2 . . . . . . . . . 158 . O parsed_1crp 1
107 1 1 . . . . . . . . . 162 . N parsed_1crp 1
107 1 2 . . . . . . . . . 158 . O parsed_1crp 1
108 1 1 . . . . . . . . . 163 . HN parsed_1crp 1
108 1 2 . . . . . . . . . 159 . O parsed_1crp 1
109 1 1 . . . . . . . . . 163 . N parsed_1crp 1
109 1 2 . . . . . . . . . 159 . O parsed_1crp 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
2 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
3 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
4 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
5 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
6 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
7 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
8 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
9 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
10 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
11 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
12 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
13 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
14 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
15 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
16 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
17 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
18 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
19 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
20 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
21 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
22 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
23 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
24 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
25 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
26 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
27 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
28 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
29 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
30 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
31 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
32 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
33 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
34 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
35 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
36 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
37 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
38 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
39 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
40 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
41 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
42 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
43 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
44 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
45 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
46 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
47 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
48 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
49 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
50 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
51 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
52 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
53 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
54 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
55 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
56 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
57 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
58 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
59 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
60 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
61 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
62 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
63 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
64 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
65 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
66 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
67 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
68 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
69 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
70 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
71 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
72 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
73 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
74 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
75 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
76 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
77 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
78 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
79 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
80 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
81 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
82 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
83 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
84 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
85 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
86 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
87 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
88 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
89 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
90 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
91 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
92 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
93 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
94 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
95 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
96 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
97 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
98 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
99 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
100 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
101 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
102 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
103 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
104 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
105 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
106 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
107 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
108 1 . . . . . 2.0 1.8 2.4 parsed_1crp 1
109 1 . . . . . 2.8 2.6 3.4 parsed_1crp 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
ras p21, GDP
Restraints for hydrogen bonds between slow-exchanging main-chain HN protons
and main-chain carbonyl oxygens, or in a few cases acceptors in side chains.
15 Gly HN, 16 Lys HN, 17 Ser HN and 18 Ala HN are not included here,
since these form hydrogen bond to the phosphate groups in GDP.
Nor are 146 Ala Hn and 147 Lys HN included here; they form hydrogen bonds
to the guanine ring oxygen.
The identity of the hydrogen bond acceptor was determined using the
initial structures computed in various rounds.
vs means very slow: the HN is detectable in the 3D 13C NOESY.
Per Kraulis, Dept Biochemistry, University of Cambridge, UK.
9-Mar-1993 for second round
12-Mar-1993 for third round
14-Mar-1993 for fourth round
1-Apr-1993 checked and added HNs visible in 3D 13C NOESY
7-Apr-1993 for fifth round
22-Jun-1993 for sixth round: 145 Ser HG to 119 Asp OD1
28-Jun-1993 checked against 15N-1H HSQC from after 3D 13C NOESY
5-Jul-1993 added distance restraints for donor heavy atom, and lower dist
;
1 1 24 79 parsed_1crp 1
2 vs 30 64 30 68 parsed_1crp 1
3 vs 32 64 32 68 parsed_1crp 1
4 vs 34 64 34 68 parsed_1crp 1
5 vs 36 64 36 68 parsed_1crp 1
6 vs 42 65 42 69 parsed_1crp 1
7 vs 54 65 54 69 parsed_1crp 1
8 vs 56 65 56 69 parsed_1crp 1
9 vs 62 66 62 70 parsed_1crp 1
10 vs 64 66 64 70 parsed_1crp 1
11 vs 66 66 66 70 parsed_1crp 1
12 vs 68 66 68 70 parsed_1crp 1
13 vs 70 66 70 70 parsed_1crp 1
14 vs 72 66 72 70 parsed_1crp 1
15 vs 74 67 74 71 parsed_1crp 1
16 vs 76 67 76 71 parsed_1crp 1
17 "!!assign (resid 111 and name HN) (resid and name O) 2.0 0.2 0.4 ! unclear" 88 1 88 76 parsed_1crp 1
18 vs 89 66 89 70 parsed_1crp 1
19 vs 91 67 91 71 parsed_1crp 1
20 vs 93 67 93 71 parsed_1crp 1
21 vs 95 67 95 71 parsed_1crp 1
22 vs 97 67 97 71 parsed_1crp 1
23
;
!!assign (resid 119 and name HN) (resid and name O) 2.0 0.2 0.4 ! unclear
!!assign (resid 120 and name HN) (resid and name O) 2.0 0.2 0.4 ! unclear
!!assign (resid 121 and name HN) (resid and name O) 2.0 0.2 0.4 ! wrong ?
;
103 1 105 76 parsed_1crp 1
24 vs 110 67 110 71 parsed_1crp 1
25 vs 112 67 112 71 parsed_1crp 1
26 vs 114 67 114 71 parsed_1crp 1
27 vs 116 67 116 71 parsed_1crp 1
28 vs 121 67 121 71 parsed_1crp 1
29 vs 123 67 123 71 parsed_1crp 1
30 vs 125 67 125 71 parsed_1crp 1
31 vs 129 67 129 71 parsed_1crp 1
32 vs 131 67 131 71 parsed_1crp 1
33 vs 133 67 133 71 parsed_1crp 1
stop_
save_
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