NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
53859 |
2stt   |
cing | 2-parsed | STAR | distance | NOE | ambi | 34 |
data_2stt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2stt
_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_2stt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2stt
_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 2stt "Master copy" parsed_2stt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2stt
_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 2stt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 3 distance NOE ambi 941 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 56 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 5 distance NOE simple 584 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 6 distance NOE ambi 34 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_2stt 1
1 2stt.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 11 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . XPLOR/CNS 13 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . PIPP 15 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2stt 1
1 2stt.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2stt 1
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2stt
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_2stt 1
2 1 . . . parsed_2stt 1
3 1 . . . parsed_2stt 1
4 1 . . . parsed_2stt 1
5 1 . . . parsed_2stt 1
6 1 . . . parsed_2stt 1
7 1 . . . parsed_2stt 1
8 1 . . . parsed_2stt 1
9 1 . . . parsed_2stt 1
10 1 . . . parsed_2stt 1
11 1 . . . parsed_2stt 1
12 1 . . . parsed_2stt 1
13 1 . . . parsed_2stt 1
14 1 . . . parsed_2stt 1
15 1 . . . parsed_2stt 1
16 1 . . . parsed_2stt 1
17 1 . . . parsed_2stt 1
18 1 . . . parsed_2stt 1
19 1 . . . parsed_2stt 1
20 1 . . . parsed_2stt 1
21 1 . . . parsed_2stt 1
22 1 . . . parsed_2stt 1
23 1 . . . parsed_2stt 1
24 1 . . . parsed_2stt 1
25 1 . . . parsed_2stt 1
26 1 . . . parsed_2stt 1
27 1 . . . parsed_2stt 1
28 1 . . . parsed_2stt 1
29 1 . . . parsed_2stt 1
30 1 . . . parsed_2stt 1
31 1 . . . parsed_2stt 1
32 1 . . . parsed_2stt 1
33 1 . . . parsed_2stt 1
34 1 . . . parsed_2stt 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 . . . . . . . . . 24 . HB# parsed_2stt 1
1 1 2 . . . . . . . . . 214 . h5' parsed_2stt 1
1 1 2 . . . . . . . . . 214 . h5'' parsed_2stt 1
1 1 2 . . . . . . . . . 215 . h5' parsed_2stt 1
1 1 2 . . . . . . . . . 215 . h5'' parsed_2stt 1
2 1 1 . . . . . . . . . 27 . hd* parsed_2stt 1
2 1 2 . . . . . . . . . 223 . h5' parsed_2stt 1
2 1 2 . . . . . . . . . 223 . h5'' parsed_2stt 1
3 1 1 . . . . . . . . . 65 . he1 parsed_2stt 1
3 1 2 . . . . . . . . . 224 . o1p parsed_2stt 1
3 1 2 . . . . . . . . . 224 . o2p parsed_2stt 1
3 1 2 . . . . . . . . . 225 . o1p parsed_2stt 1
3 1 2 . . . . . . . . . 225 . o2p parsed_2stt 1
4 1 1 . . . . . . . . . 69 . hd# parsed_2stt 1
4 1 2 . . . . . . . . . 224 . h5' parsed_2stt 1
4 1 2 . . . . . . . . . 224 . h5'' parsed_2stt 1
5 1 1 . . . . . . . . . 69 . HE# parsed_2stt 1
5 1 2 . . . . . . . . . 224 . h1' parsed_2stt 1
6 1 1 . . . . . . . . . 69 . he# parsed_2stt 1
6 1 2 . . . . . . . . . 224 . h5' parsed_2stt 1
6 1 2 . . . . . . . . . 224 . h5'' parsed_2stt 1
7 1 1 . . . . . . . . . 69 . he# parsed_2stt 1
7 1 2 . . . . . . . . . 224 . h3' parsed_2stt 1
8 1 1 . . . . . . . . . 69 . he# parsed_2stt 1
8 1 2 . . . . . . . . . 224 . h2' parsed_2stt 1
9 1 1 . . . . . . . . . 69 . hd# parsed_2stt 1
9 1 2 . . . . . . . . . 224 . h3' parsed_2stt 1
10 1 1 . . . . . . . . . 69 . hg# parsed_2stt 1
10 1 2 . . . . . . . . . 224 . h3' parsed_2stt 1
11 1 1 . . . . . . . . . 71 . he# parsed_2stt 1
11 1 2 . . . . . . . . . 224 . h3' parsed_2stt 1
11 1 2 . . . . . . . . . 225 . h3' parsed_2stt 1
12 1 1 . . . . . . . . . 71 . he# parsed_2stt 1
12 1 2 . . . . . . . . . 225 . h6 parsed_2stt 1
13 1 1 . . . . . . . . . 74 . he# parsed_2stt 1
13 1 2 . . . . . . . . . 225 . h5# parsed_2stt 1
14 1 1 . . . . . . . . . 74 . he# parsed_2stt 1
14 1 2 . . . . . . . . . 225 . h5' parsed_2stt 1
14 1 2 . . . . . . . . . 225 . h5'' parsed_2stt 1
15 1 1 . . . . . . . . . 76 . he# parsed_2stt 1
15 1 2 . . . . . . . . . 205 . h3' parsed_2stt 1
16 1 1 . . . . . . . . . 78 . ha parsed_2stt 1
16 1 2 . . . . . . . . . 225 . h5# parsed_2stt 1
17 1 1 . . . . . . . . . 80 . HB# parsed_2stt 1
17 1 2 . . . . . . . . . 207 . H4' parsed_2stt 1
18 1 1 . . . . . . . . . 81 . HB# parsed_2stt 1
18 1 2 . . . . . . . . . 225 . H6 parsed_2stt 1
19 1 1 . . . . . . . . . 84 . nh* parsed_2stt 1
19 1 2 . . . . . . . . . 208 . n7 parsed_2stt 1
19 1 2 . . . . . . . . . 208 . o6 parsed_2stt 1
20 1 1 . . . . . . . . . 85 . HD# parsed_2stt 1
20 1 2 . . . . . . . . . 224 . H5# parsed_2stt 1
21 1 1 . . . . . . . . . 85 . HE# parsed_2stt 1
21 1 2 . . . . . . . . . 224 . H5# parsed_2stt 1
22 1 1 . . . . . . . . . 85 . HE# parsed_2stt 1
22 1 2 . . . . . . . . . 223 . H2' parsed_2stt 1
23 1 1 . . . . . . . . . 86 . HE# parsed_2stt 1
23 1 2 . . . . . . . . . 223 . h2' parsed_2stt 1
24 1 1 . . . . . . . . . 86 . HH parsed_2stt 1
24 1 2 . . . . . . . . . 223 . o1p parsed_2stt 1
24 1 2 . . . . . . . . . 223 . o2p parsed_2stt 1
25 1 1 . . . . . . . . . 89 . hd# parsed_2stt 1
25 1 2 . . . . . . . . . 222 . h4' parsed_2stt 1
26 1 1 . . . . . . . . . 94 . hb# parsed_2stt 1
26 1 2 . . . . . . . . . 207 . h5' parsed_2stt 1
26 1 2 . . . . . . . . . 207 . h5'' parsed_2stt 1
27 1 1 . . . . . . . . . 94 . he# parsed_2stt 1
27 1 2 . . . . . . . . . 207 . h3' parsed_2stt 1
28 1 1 . . . . . . . . . 94 . he# parsed_2stt 1
28 1 2 . . . . . . . . . 207 . h5' parsed_2stt 1
28 1 2 . . . . . . . . . 207 . h5'' parsed_2stt 1
29 1 1 . . . . . . . . . 99 . hb# parsed_2stt 1
29 1 2 . . . . . . . . . 205 . h5' parsed_2stt 1
29 1 2 . . . . . . . . . 206 . h5' parsed_2stt 1
30 1 1 . . . . . . . . . 100 . he# parsed_2stt 1
30 1 2 . . . . . . . . . 205 . h5' parsed_2stt 1
30 1 2 . . . . . . . . . 205 . h5'' parsed_2stt 1
31 1 1 . . . . . . . . . 100 . he# parsed_2stt 1
31 1 2 . . . . . . . . . 205 . h5' parsed_2stt 1
31 1 2 . . . . . . . . . 205 . h5'' parsed_2stt 1
32 1 1 . . . . . . . . . 100 . he# parsed_2stt 1
32 1 2 . . . . . . . . . 205 . h4' parsed_2stt 1
33 1 1 . . . . . . . . . 100 . he# parsed_2stt 1
33 1 2 . . . . . . . . . 205 . h3' parsed_2stt 1
34 1 1 . . . . . . . . . 100 . hd# parsed_2stt 1
34 1 2 . . . . . . . . . 205 . h3' parsed_2stt 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 . . . . . 4.0 1.8 6.0 parsed_2stt 1
2 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
3 1 . . . . . 2.0 0.8 2.5 parsed_2stt 1
4 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
5 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
6 1 . . . . . 3.0 1.8 3.3 parsed_2stt 1
7 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
8 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
9 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
10 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
11 1 . . . . . 4.0 2.8 5.0 parsed_2stt 1
12 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
13 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
14 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
15 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
16 1 . . . . . 3.0 1.8 4.0 parsed_2stt 1
17 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
18 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
19 1 . . . . . 4.0 1.80 4.01 parsed_2stt 1
20 1 . . . . . 4.0 2.8 6.0 parsed_2stt 1
21 1 . . . . . 3.0 1.8 3.8 parsed_2stt 1
22 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
23 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
24 1 . . . . . 2.0 0.8 2.5 parsed_2stt 1
25 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
26 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
27 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
28 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
29 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
30 1 . . . . . 4.0 2.8 5.0 parsed_2stt 1
31 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
32 1 . . . . . 4.0 1.8 6.0 parsed_2stt 1
33 1 . . . . . 4.0 1.8 5.0 parsed_2stt 1
34 1 . . . . . 4.0 1.8 6.0 parsed_2stt 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
;
intermolecular noes
R1
A2
D3
L4
N5
K6
D7
K8
P9
V10
I11
P12
A13
A14
A15
L16
A17
G18
Y19
T20
G21
S22
G23
P24
;
1 1 49 5 parsed_2stt 1
2
;
c13c12100
I25
Q26
L27
;
51 50 56 5 parsed_2stt 1
3
;
c13c1275a
W28
Q29
F30
L31
L32
E33
L34
L35
T36
D37
K38
S39
C40
Q41
S42
F43
I44
S45
W46
T47
G48
D49
G50
W51
E52
F53
K54
L55
S56
D57
P58
D59
E60
V61
A62
R63
R64
W65
;
58 47 134 5 parsed_2stt 1
4
;
hbond for he1
G66
K67
R68
K69
;
136 37 143 5 parsed_2stt 1
5 c13c1275a/100 145 34 145 48 parsed_2stt 1
6 c13c12100 148 52 148 62 parsed_2stt 1
7 c13noe120 149 69 149 79 parsed_2stt 1
8 c13noe120 150 69 150 79 parsed_2stt 1
9 c13noe120 151 69 151 79 parsed_2stt 1
10
;
c13noe120
N70
K71
;
152 69 156 5 parsed_2stt 1
11 c13c1275a/100 158 31 158 45 parsed_2stt 1
12
;
c13c12100
P72
K73
M74
;
159 68 165 5 parsed_2stt 1
13 c13c12100 166 69 166 79 parsed_2stt 1
14
;
c13c12100
N75
Y76
;
168 48 172 5 parsed_2stt 1
15
;
c13c1275a
E77
K78
;
173 69 177 5 parsed_2stt 1
16
;
c13c1275a/100
L79
S80
;
179 7 183 5 parsed_2stt 1
17
;
c13c12100
R81
;
184 69 186 5 parsed_2stt 1
18
;
c13c1275/100
G82
L83
R84
;
188 1 196 5 parsed_2stt 1
19 Y85 200 1 200 5 parsed_2stt 1
20 "assigns to 224 methyl or 225 h2'" 201 1 201 1 parsed_2stt 1
21 c13c1275a 202 69 202 79 parsed_2stt 1
22 c13c12100 203 69 203 79 parsed_2stt 1
23
;
c13noe120
Y86
;
204 69 206 5 parsed_2stt 1
24 c13noe120 207 69 207 79 parsed_2stt 1
25
;
hbond for hydroxyl
Y87
D88
K89
;
209 36 215 5 parsed_2stt 1
26
;
c13c12100
N90
I91
I92
H93
K94
;
216 69 226 5 parsed_2stt 1
27 c13c12100 228 34 228 44 parsed_2stt 1
28
;
c13c12100 {last two are known 206/207 but he is a test}
T95
A96
G97
K98
R99
;
232 1 242 5 parsed_2stt 1
29
;
c13c1275a/100
Y100
;
244 36 245 6 parsed_2stt 1
30 c13c1275a/c13noe120 247 48 247 68 parsed_2stt 1
31 c13c1275a 249 36 249 46 parsed_2stt 1
32 c13c1275a 250 70 250 80 parsed_2stt 1
33 c13c1275a 251 70 251 80 parsed_2stt 1
34
;
c13c1275a
Y102
R103
F104
V105
;
252 70 260 6 parsed_2stt 1
stop_
save_
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