NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
52447 |
2kid   |
16270 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 96 |
data_2kid_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kid
_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_2kid 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kid
_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 2kid "Master copy" parsed_2kid
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kid
_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 2kid.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 2 distance NOE simple 42 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 3 distance "general distance" simple 3 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 96 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 10 distance NOE ambi 0 parsed_2kid 1
1 2kid.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kid 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kid
_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_2kid 1
2 1 . . . parsed_2kid 1
3 1 . . . parsed_2kid 1
4 1 . . . parsed_2kid 1
5 1 . . . parsed_2kid 1
6 1 . . . parsed_2kid 1
7 1 . . . parsed_2kid 1
8 1 . . . parsed_2kid 1
9 1 . . . parsed_2kid 1
10 1 . . . parsed_2kid 1
11 1 . . . parsed_2kid 1
12 1 . . . parsed_2kid 1
13 1 . . . parsed_2kid 1
14 1 . . . parsed_2kid 1
15 1 . . . parsed_2kid 1
16 1 . . . parsed_2kid 1
17 1 . . . parsed_2kid 1
18 1 . . . parsed_2kid 1
19 1 . . . parsed_2kid 1
20 1 . . . parsed_2kid 1
21 1 . . . parsed_2kid 1
22 1 . . . parsed_2kid 1
23 1 . . . parsed_2kid 1
24 1 . . . parsed_2kid 1
25 1 . . . parsed_2kid 1
26 1 . . . parsed_2kid 1
27 1 . . . parsed_2kid 1
28 1 . . . parsed_2kid 1
29 1 . . . parsed_2kid 1
30 1 . . . parsed_2kid 1
31 1 . . . parsed_2kid 1
32 1 . . . parsed_2kid 1
33 1 . . . parsed_2kid 1
34 1 . . . parsed_2kid 1
35 1 . . . parsed_2kid 1
36 1 . . . parsed_2kid 1
37 1 . . . parsed_2kid 1
38 1 . . . parsed_2kid 1
39 1 . . . parsed_2kid 1
40 1 . . . parsed_2kid 1
41 1 . . . parsed_2kid 1
42 1 . . . parsed_2kid 1
43 1 . . . parsed_2kid 1
44 1 . . . parsed_2kid 1
45 1 . . . parsed_2kid 1
46 1 . . . parsed_2kid 1
47 1 . . . parsed_2kid 1
48 1 . . . parsed_2kid 1
49 1 . . . parsed_2kid 1
50 1 . . . parsed_2kid 1
51 1 . . . parsed_2kid 1
52 1 . . . parsed_2kid 1
53 1 . . . parsed_2kid 1
54 1 . . . parsed_2kid 1
55 1 . . . parsed_2kid 1
56 1 . . . parsed_2kid 1
57 1 . . . parsed_2kid 1
58 1 . . . parsed_2kid 1
59 1 . . . parsed_2kid 1
60 1 . . . parsed_2kid 1
61 1 . . . parsed_2kid 1
62 1 . . . parsed_2kid 1
63 1 . . . parsed_2kid 1
64 1 . . . parsed_2kid 1
65 1 . . . parsed_2kid 1
66 1 . . . parsed_2kid 1
67 1 . . . parsed_2kid 1
68 1 . . . parsed_2kid 1
69 1 . . . parsed_2kid 1
70 1 . . . parsed_2kid 1
71 1 . . . parsed_2kid 1
72 1 . . . parsed_2kid 1
73 1 . . . parsed_2kid 1
74 1 . . . parsed_2kid 1
75 1 . . . parsed_2kid 1
76 1 . . . parsed_2kid 1
77 1 . . . parsed_2kid 1
78 1 . . . parsed_2kid 1
79 1 . . . parsed_2kid 1
80 1 . . . parsed_2kid 1
81 1 . . . parsed_2kid 1
82 1 . . . parsed_2kid 1
83 1 . . . parsed_2kid 1
84 1 . . . parsed_2kid 1
85 1 . . . parsed_2kid 1
86 1 . . . parsed_2kid 1
87 1 . . . parsed_2kid 1
88 1 . . . parsed_2kid 1
89 1 . . . parsed_2kid 1
90 1 . . . parsed_2kid 1
91 1 . . . parsed_2kid 1
92 1 . . . parsed_2kid 1
93 1 . . . parsed_2kid 1
94 1 . . . parsed_2kid 1
95 1 . . . parsed_2kid 1
96 1 . . . parsed_2kid 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 . . . . . . . . . 17 . HN parsed_2kid 1
1 1 2 . . . . . . . . . 87 . O parsed_2kid 1
2 1 1 . . . . . . . . . 17 . N parsed_2kid 1
2 1 2 . . . . . . . . . 87 . O parsed_2kid 1
3 1 1 . . . . . . . . . 87 . HN parsed_2kid 1
3 1 2 . . . . . . . . . 17 . O parsed_2kid 1
4 1 1 . . . . . . . . . 87 . N parsed_2kid 1
4 1 2 . . . . . . . . . 17 . O parsed_2kid 1
5 1 1 . . . . . . . . . 19 . HN parsed_2kid 1
5 1 2 . . . . . . . . . 85 . O parsed_2kid 1
6 1 1 . . . . . . . . . 19 . N parsed_2kid 1
6 1 2 . . . . . . . . . 85 . O parsed_2kid 1
7 1 1 . . . . . . . . . 85 . HN parsed_2kid 1
7 1 2 . . . . . . . . . 19 . O parsed_2kid 1
8 1 1 . . . . . . . . . 85 . N parsed_2kid 1
8 1 2 . . . . . . . . . 19 . O parsed_2kid 1
9 1 1 . . . . . . . . . 18 . HN parsed_2kid 1
9 1 2 . . . . . . . . . 27 . O parsed_2kid 1
10 1 1 . . . . . . . . . 18 . N parsed_2kid 1
10 1 2 . . . . . . . . . 27 . O parsed_2kid 1
11 1 1 . . . . . . . . . 27 . HN parsed_2kid 1
11 1 2 . . . . . . . . . 18 . O parsed_2kid 1
12 1 1 . . . . . . . . . 27 . N parsed_2kid 1
12 1 2 . . . . . . . . . 18 . O parsed_2kid 1
13 1 1 . . . . . . . . . 20 . HN parsed_2kid 1
13 1 2 . . . . . . . . . 25 . O parsed_2kid 1
14 1 1 . . . . . . . . . 20 . N parsed_2kid 1
14 1 2 . . . . . . . . . 25 . O parsed_2kid 1
15 1 1 . . . . . . . . . 25 . HN parsed_2kid 1
15 1 2 . . . . . . . . . 20 . O parsed_2kid 1
16 1 1 . . . . . . . . . 25 . N parsed_2kid 1
16 1 2 . . . . . . . . . 20 . O parsed_2kid 1
17 1 1 . . . . . . . . . 29 . HN parsed_2kid 1
17 1 2 . . . . . . . . . 16 . O parsed_2kid 1
18 1 1 . . . . . . . . . 29 . N parsed_2kid 1
18 1 2 . . . . . . . . . 16 . O parsed_2kid 1
19 1 1 . . . . . . . . . 24 . HN parsed_2kid 1
19 1 2 . . . . . . . . . 21 . O parsed_2kid 1
20 1 1 . . . . . . . . . 24 . N parsed_2kid 1
20 1 2 . . . . . . . . . 21 . O parsed_2kid 1
21 1 1 . . . . . . . . . 39 . HN parsed_2kid 1
21 1 2 . . . . . . . . . 35 . O parsed_2kid 1
22 1 1 . . . . . . . . . 39 . N parsed_2kid 1
22 1 2 . . . . . . . . . 35 . O parsed_2kid 1
23 1 1 . . . . . . . . . 40 . HN parsed_2kid 1
23 1 2 . . . . . . . . . 36 . O parsed_2kid 1
24 1 1 . . . . . . . . . 40 . N parsed_2kid 1
24 1 2 . . . . . . . . . 36 . O parsed_2kid 1
25 1 1 . . . . . . . . . 97 . HN parsed_2kid 1
25 1 2 . . . . . . . . . 82 . O parsed_2kid 1
26 1 1 . . . . . . . . . 97 . N parsed_2kid 1
26 1 2 . . . . . . . . . 82 . O parsed_2kid 1
27 1 1 . . . . . . . . . 84 . HN parsed_2kid 1
27 1 2 . . . . . . . . . 95 . O parsed_2kid 1
28 1 1 . . . . . . . . . 84 . N parsed_2kid 1
28 1 2 . . . . . . . . . 95 . O parsed_2kid 1
29 1 1 . . . . . . . . . 95 . HN parsed_2kid 1
29 1 2 . . . . . . . . . 84 . O parsed_2kid 1
30 1 1 . . . . . . . . . 95 . N parsed_2kid 1
30 1 2 . . . . . . . . . 84 . O parsed_2kid 1
31 1 1 . . . . . . . . . 86 . HN parsed_2kid 1
31 1 2 . . . . . . . . . 93 . O parsed_2kid 1
32 1 1 . . . . . . . . . 86 . N parsed_2kid 1
32 1 2 . . . . . . . . . 93 . O parsed_2kid 1
33 1 1 . . . . . . . . . 93 . HN parsed_2kid 1
33 1 2 . . . . . . . . . 86 . O parsed_2kid 1
34 1 1 . . . . . . . . . 93 . N parsed_2kid 1
34 1 2 . . . . . . . . . 86 . O parsed_2kid 1
35 1 1 . . . . . . . . . 88 . HN parsed_2kid 1
35 1 2 . . . . . . . . . 91 . O parsed_2kid 1
36 1 1 . . . . . . . . . 88 . N parsed_2kid 1
36 1 2 . . . . . . . . . 91 . O parsed_2kid 1
37 1 1 . . . . . . . . . 91 . HN parsed_2kid 1
37 1 2 . . . . . . . . . 88 . O parsed_2kid 1
38 1 1 . . . . . . . . . 91 . N parsed_2kid 1
38 1 2 . . . . . . . . . 88 . O parsed_2kid 1
39 1 1 . . . . . . . . . 96 . HN parsed_2kid 1
39 1 2 . . . . . . . . . 145 . O parsed_2kid 1
40 1 1 . . . . . . . . . 96 . N parsed_2kid 1
40 1 2 . . . . . . . . . 145 . O parsed_2kid 1
41 1 1 . . . . . . . . . 145 . HN parsed_2kid 1
41 1 2 . . . . . . . . . 96 . O parsed_2kid 1
42 1 1 . . . . . . . . . 145 . N parsed_2kid 1
42 1 2 . . . . . . . . . 96 . O parsed_2kid 1
43 1 1 . . . . . . . . . 99 . HN parsed_2kid 1
43 1 2 . . . . . . . . . 143 . O parsed_2kid 1
44 1 1 . . . . . . . . . 99 . N parsed_2kid 1
44 1 2 . . . . . . . . . 143 . O parsed_2kid 1
45 1 1 . . . . . . . . . 143 . HN parsed_2kid 1
45 1 2 . . . . . . . . . 99 . O parsed_2kid 1
46 1 1 . . . . . . . . . 143 . N parsed_2kid 1
46 1 2 . . . . . . . . . 99 . O parsed_2kid 1
47 1 1 . . . . . . . . . 101 . HN parsed_2kid 1
47 1 2 . . . . . . . . . 141 . O parsed_2kid 1
48 1 1 . . . . . . . . . 101 . N parsed_2kid 1
48 1 2 . . . . . . . . . 141 . O parsed_2kid 1
49 1 1 . . . . . . . . . 141 . HN parsed_2kid 1
49 1 2 . . . . . . . . . 101 . O parsed_2kid 1
50 1 1 . . . . . . . . . 141 . N parsed_2kid 1
50 1 2 . . . . . . . . . 101 . O parsed_2kid 1
51 1 1 . . . . . . . . . 103 . HN parsed_2kid 1
51 1 2 . . . . . . . . . 139 . O parsed_2kid 1
52 1 1 . . . . . . . . . 103 . N parsed_2kid 1
52 1 2 . . . . . . . . . 139 . O parsed_2kid 1
53 1 1 . . . . . . . . . 146 . HN parsed_2kid 1
53 1 2 . . . . . . . . . 119 . O parsed_2kid 1
54 1 1 . . . . . . . . . 146 . N parsed_2kid 1
54 1 2 . . . . . . . . . 119 . O parsed_2kid 1
55 1 1 . . . . . . . . . 121 . HN parsed_2kid 1
55 1 2 . . . . . . . . . 144 . O parsed_2kid 1
56 1 1 . . . . . . . . . 121 . N parsed_2kid 1
56 1 2 . . . . . . . . . 144 . O parsed_2kid 1
57 1 1 . . . . . . . . . 144 . HN parsed_2kid 1
57 1 2 . . . . . . . . . 121 . O parsed_2kid 1
58 1 1 . . . . . . . . . 144 . N parsed_2kid 1
58 1 2 . . . . . . . . . 121 . O parsed_2kid 1
59 1 1 . . . . . . . . . 123 . HN parsed_2kid 1
59 1 2 . . . . . . . . . 142 . O parsed_2kid 1
60 1 1 . . . . . . . . . 123 . N parsed_2kid 1
60 1 2 . . . . . . . . . 142 . O parsed_2kid 1
61 1 1 . . . . . . . . . 142 . HN parsed_2kid 1
61 1 2 . . . . . . . . . 123 . O parsed_2kid 1
62 1 1 . . . . . . . . . 142 . N parsed_2kid 1
62 1 2 . . . . . . . . . 123 . O parsed_2kid 1
63 1 1 . . . . . . . . . 120 . HN parsed_2kid 1
63 1 2 . . . . . . . . . 55 . O parsed_2kid 1
64 1 1 . . . . . . . . . 120 . N parsed_2kid 1
64 1 2 . . . . . . . . . 55 . O parsed_2kid 1
65 1 1 . . . . . . . . . 57 . HN parsed_2kid 1
65 1 2 . . . . . . . . . 120 . O parsed_2kid 1
66 1 1 . . . . . . . . . 57 . N parsed_2kid 1
66 1 2 . . . . . . . . . 120 . O parsed_2kid 1
67 1 1 . . . . . . . . . 122 . HN parsed_2kid 1
67 1 2 . . . . . . . . . 57 . O parsed_2kid 1
68 1 1 . . . . . . . . . 122 . N parsed_2kid 1
68 1 2 . . . . . . . . . 57 . O parsed_2kid 1
69 1 1 . . . . . . . . . 59 . HN parsed_2kid 1
69 1 2 . . . . . . . . . 122 . O parsed_2kid 1
70 1 1 . . . . . . . . . 59 . N parsed_2kid 1
70 1 2 . . . . . . . . . 122 . O parsed_2kid 1
71 1 1 . . . . . . . . . 124 . HN parsed_2kid 1
71 1 2 . . . . . . . . . 59 . O parsed_2kid 1
72 1 1 . . . . . . . . . 124 . N parsed_2kid 1
72 1 2 . . . . . . . . . 59 . O parsed_2kid 1
73 1 1 . . . . . . . . . 61 . HN parsed_2kid 1
73 1 2 . . . . . . . . . 124 . O parsed_2kid 1
74 1 1 . . . . . . . . . 61 . N parsed_2kid 1
74 1 2 . . . . . . . . . 124 . O parsed_2kid 1
75 1 1 . . . . . . . . . 126 . HN parsed_2kid 1
75 1 2 . . . . . . . . . 61 . O parsed_2kid 1
76 1 1 . . . . . . . . . 126 . N parsed_2kid 1
76 1 2 . . . . . . . . . 61 . O parsed_2kid 1
77 1 1 . . . . . . . . . 46 . HN parsed_2kid 1
77 1 2 . . . . . . . . . 58 . O parsed_2kid 1
78 1 1 . . . . . . . . . 46 . N parsed_2kid 1
78 1 2 . . . . . . . . . 58 . O parsed_2kid 1
79 1 1 . . . . . . . . . 44 . HN parsed_2kid 1
79 1 2 . . . . . . . . . 60 . O parsed_2kid 1
80 1 1 . . . . . . . . . 44 . N parsed_2kid 1
80 1 2 . . . . . . . . . 60 . O parsed_2kid 1
81 1 1 . . . . . . . . . 60 . HN parsed_2kid 1
81 1 2 . . . . . . . . . 44 . O parsed_2kid 1
82 1 1 . . . . . . . . . 60 . N parsed_2kid 1
82 1 2 . . . . . . . . . 44 . O parsed_2kid 1
83 1 1 . . . . . . . . . 30 . HN parsed_2kid 1
83 1 2 . . . . . . . . . 43 . O parsed_2kid 1
84 1 1 . . . . . . . . . 30 . N parsed_2kid 1
84 1 2 . . . . . . . . . 43 . O parsed_2kid 1
85 1 1 . . . . . . . . . 45 . HN parsed_2kid 1
85 1 2 . . . . . . . . . 30 . O parsed_2kid 1
86 1 1 . . . . . . . . . 45 . N parsed_2kid 1
86 1 2 . . . . . . . . . 30 . O parsed_2kid 1
87 1 1 . . . . . . . . . 137 . HN parsed_2kid 1
87 1 2 . . . . . . . . . 128 . O parsed_2kid 1
88 1 1 . . . . . . . . . 137 . N parsed_2kid 1
88 1 2 . . . . . . . . . 128 . O parsed_2kid 1
89 1 1 . . . . . . . . . 130 . HN parsed_2kid 1
89 1 2 . . . . . . . . . 135 . O parsed_2kid 1
90 1 1 . . . . . . . . . 130 . N parsed_2kid 1
90 1 2 . . . . . . . . . 135 . O parsed_2kid 1
91 1 1 . . . . . . . . . 112 . HN parsed_2kid 1
91 1 2 . . . . . . . . . 109 . O parsed_2kid 1
92 1 1 . . . . . . . . . 112 . N parsed_2kid 1
92 1 2 . . . . . . . . . 109 . O parsed_2kid 1
93 1 1 . . . . . . . . . 111 . HN parsed_2kid 1
93 1 2 . . . . . . . . . 108 . O parsed_2kid 1
94 1 1 . . . . . . . . . 111 . N parsed_2kid 1
94 1 2 . . . . . . . . . 108 . O parsed_2kid 1
95 1 1 . . . . . . . . . 110 . HN parsed_2kid 1
95 1 2 . . . . . . . . . 107 . O parsed_2kid 1
96 1 1 . . . . . . . . . 110 . N parsed_2kid 1
96 1 2 . . . . . . . . . 107 . O parsed_2kid 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 . . . . . 2.3 1.5 2.5 parsed_2kid 1
2 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
3 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
4 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
5 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
6 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
7 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
8 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
9 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
10 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
11 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
12 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
13 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
14 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
15 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
16 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
17 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
18 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
19 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
20 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
21 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
22 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
23 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
24 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
25 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
26 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
27 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
28 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
29 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
30 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
31 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
32 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
33 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
34 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
35 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
36 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
37 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
38 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
39 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
40 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
41 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
42 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
43 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
44 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
45 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
46 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
47 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
48 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
49 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
50 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
51 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
52 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
53 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
54 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
55 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
56 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
57 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
58 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
59 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
60 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
61 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
62 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
63 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
64 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
65 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
66 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
67 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
68 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
69 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
70 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
71 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
72 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
73 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
74 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
75 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
76 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
77 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
78 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
79 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
80 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
81 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
82 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
83 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
84 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
85 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
86 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
87 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
88 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
89 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
90 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
91 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
92 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
93 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
94 1 . . . . . 3.3 2.5 3.5 parsed_2kid 1
95 1 . . . . . 2.3 1.5 2.5 parsed_2kid 1
96 1 . . . . . 3.3 2.5 3.5 parsed_2kid 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !B1:G16-P21 || B5:S82-V88 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
B1/B5
OK
;
1 1 7 5 parsed_2kid 1
2 OK 13 1 13 5 parsed_2kid 1
3
;
B1/B5
OK
;
19 1 20 5 parsed_2kid 1
4
;
B1/B5
OK
;
26 1 27 5 parsed_2kid 1
5
;
PRO21 Terminates B1
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! !B1:G16-P21 || B2:D24-V29 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
OK
;
32 1 42 5 parsed_2kid 1
6 OK 48 1 48 5 parsed_2kid 1
7
;
B1/B2
OK
;
55 1 56 5 parsed_2kid 1
8 OK 61 1 61 5 parsed_2kid 1
9 "B1/B2 OK" 68 1 68 10 parsed_2kid 1
10
;
OK? (NOT SUPPORTED BY STRUCTURES?)
SEEMS TO BE VIOLATED CHECK THIS AGAIN
assign (resid 16 and name HN )
(resid 29 and name O ) 2.3 0.8 0.2
assign (resid 16 and name N )
(resid 29 and name O ) 3.3 0.8 0.2
GLY SEEMS TO END B1
B1/B2 OK WRONG!!!!
assign (resid 23 and name HN )
(resid 20 and name O ) 2.3 0.8 0.2
assign (resid 23 and name N )
(resid 20 and name O ) 3.3 0.8 0.2
;
73 1 87 47 parsed_2kid 1
11
;
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! HELIX 1 (alpha 36-40) !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Compatible with exchange data/CSI
;
93 1 99 35 parsed_2kid 1
12
;
NEED TO FIGURE OUT 39-42, 38-41?
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! B5:S82-V88 || B6:E91-K97? !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
B5/B6
!(NOT SUPPORTED BY STRUCTURES)
!assign (resid 82 and name HN )
! (resid 97 and name O ) 2.3 0.8 0.2
!assign (resid 82 and name N )
! (resid 97 and name O ) 3.3 0.8 0.2
(supported by 50 % of the structures )
;
109 1 127 40 parsed_2kid 1
13 "B5/B6 OK" 132 1 133 10 parsed_2kid 1
14 "B5/B6 (OK? NOT SUPPORTED BY STRUCTURES?)" 144 1 144 42 parsed_2kid 1
15 "B5/B6 OK" 150 1 150 10 parsed_2kid 1
16 "EXTRA HBONDS ADDED TO TIP" 156 1 156 27 parsed_2kid 1
17
;
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! B6:E91-K97^98^S99-R101 || B8:I141-V145 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
;
168 1 173 53 parsed_2kid 1
18 "put back in from NOE data on 040908" 195 1 195 37 parsed_2kid 1
19 "Added on 041108 based on NOEs" 201 1 201 31 parsed_2kid 1
20 "Added on 041108 based on NOEs" 207 1 207 31 parsed_2kid 1
21
;
Not sure about I141HN or D102HN
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! B7:K119-T125 || B8:I141-V145 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
B7/B8 OK
;
214 1 223 10 parsed_2kid 1
22 "B7/B8 OK" 228 1 229 10 parsed_2kid 1
23 B7/B8 234 1 235 7 parsed_2kid 1
24 "B7/B8 (Supported by ~28 % Structures only)" 241 1 242 45 parsed_2kid 1
25 "B7/B8 (NOT Supported by Structures)" 247 1 248 38 parsed_2kid 1
26
;
B7/B8 (Supported by ~28 % Structures only)
assign (resid 125 and name HN )
(resid 140 and name O ) 3.3 0.8 0.2
assign (resid 125 and name N )
(resid 140 and name O ) 3.3 0.8 0.2
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! B7:K119-T125 || B4:Q55-G61 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Complete Identical to apo except. the 126-61 is a test
B4/B7 OK
;
254 1 269 10 parsed_2kid 1
27 "B4/B7 OK" 274 1 275 10 parsed_2kid 1
28 "B4/B7 OK (Supported by 50 % of Strucutures)" 280 1 281 45 parsed_2kid 1
29 "B4/B7 OK" 286 1 287 10 parsed_2kid 1
30 "B4/B7 OK" 292 1 293 10 parsed_2kid 1
31 "B4/B7 OK (Supported by 50 % of Strucutures)" 298 1 299 45 parsed_2kid 1
32 "B4/B7 OK (Based on apo structure data for this exchange?) RTC" 304 1 305 63 parsed_2kid 1
33
;
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! B3:V43-A46 || B4:Q55-G61 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
B3/B4 OK
;
311 1 319 10 parsed_2kid 1
34 "B3/B4 OK" 325 1 325 10 parsed_2kid 1
35
;
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! B3:V43-A46 || B4:Q55-G61 !!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
B2/B3 OK
;
336 1 345 10 parsed_2kid 1
36 "B2/B3 OK" 352 1 352 10 parsed_2kid 1
37
;
################################################
################################################
################################################
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Within B7/B8 loop RTC
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Loop
;
358 1 370 6 parsed_2kid 1
38 "B2/B3 OK" 377 1 377 10 parsed_2kid 1
39
;
################################################
################################################
################################################
################################################
################################################
################################################
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Within B6/B7 loop 310 HELIX
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
;
383 1 392 53 parsed_2kid 1
stop_
save_
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