Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
52445 | 2kid RC | 16270 | cing | 2-parsed | STAR | distance | NOE | simple | 42 |
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 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 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_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kid
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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
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 . . . . . . . . . 34 . HB# parsed_2kid 1
1 1 2 . . . . . . . . . 703 . HB# parsed_2kid 1
2 1 1 . . . . . . . . . 34 . HB# parsed_2kid 1
2 1 2 . . . . . . . . . 703 . HA parsed_2kid 1
3 1 1 . . . . . . . . . 34 . HB# parsed_2kid 1
3 1 2 . . . . . . . . . 704 . HB# parsed_2kid 1
4 1 1 . . . . . . . . . 39 . HD* parsed_2kid 1
4 1 2 . . . . . . . . . 704 . HB# parsed_2kid 1
5 1 1 . . . . . . . . . 39 . HD* parsed_2kid 1
5 1 2 . . . . . . . . . 704 . HA parsed_2kid 1
6 1 1 . . . . . . . . . 39 . HD* parsed_2kid 1
6 1 2 . . . . . . . . . 704 . HN parsed_2kid 1
7 1 1 . . . . . . . . . 46 . HA parsed_2kid 1
7 1 2 . . . . . . . . . 703 . HB# parsed_2kid 1
8 1 1 . . . . . . . . . 46 . HB# parsed_2kid 1
8 1 2 . . . . . . . . . 703 . HB# parsed_2kid 1
9 1 1 . . . . . . . . . 46 . HB# parsed_2kid 1
9 1 2 . . . . . . . . . 703 . HD# parsed_2kid 1
10 1 1 . . . . . . . . . 60 . HB* parsed_2kid 1
10 1 2 . . . . . . . . . 703 . HG# parsed_2kid 1
11 1 1 . . . . . . . . . 60 . HB* parsed_2kid 1
11 1 2 . . . . . . . . . 703 . HB# parsed_2kid 1
12 1 1 . . . . . . . . . 105 . HA parsed_2kid 1
12 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
13 1 1 . . . . . . . . . 105 . HA parsed_2kid 1
13 1 2 . . . . . . . . . 702 . HB# parsed_2kid 1
14 1 1 . . . . . . . . . 105 . HA parsed_2kid 1
14 1 2 . . . . . . . . . 702 . HG parsed_2kid 1
15 1 1 . . . . . . . . . 105 . HB# parsed_2kid 1
15 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
16 1 1 . . . . . . . . . 107 . HN parsed_2kid 1
16 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
17 1 1 . . . . . . . . . 107 . HN parsed_2kid 1
17 1 2 . . . . . . . . . 702 . HG parsed_2kid 1
18 1 1 . . . . . . . . . 108 . HA parsed_2kid 1
18 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
19 1 1 . . . . . . . . . 108 . HA parsed_2kid 1
19 1 2 . . . . . . . . . 702 . HB# parsed_2kid 1
20 1 1 . . . . . . . . . 108 . HA parsed_2kid 1
20 1 2 . . . . . . . . . 702 . HG parsed_2kid 1
21 1 1 . . . . . . . . . 108 . HN parsed_2kid 1
21 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
22 1 1 . . . . . . . . . 108 . HN parsed_2kid 1
22 1 2 . . . . . . . . . 702 . HG parsed_2kid 1
23 1 1 . . . . . . . . . 109 . HN parsed_2kid 1
23 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
24 1 1 . . . . . . . . . 110 . HB parsed_2kid 1
24 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
25 1 1 . . . . . . . . . 110 . HG* parsed_2kid 1
25 1 2 . . . . . . . . . 702 . HG parsed_2kid 1
26 1 1 . . . . . . . . . 110 . HG* parsed_2kid 1
26 1 2 . . . . . . . . . 702 . HB# parsed_2kid 1
27 1 1 . . . . . . . . . 110 . HG* parsed_2kid 1
27 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
28 1 1 . . . . . . . . . 110 . HG* parsed_2kid 1
28 1 2 . . . . . . . . . 703 . HD# parsed_2kid 1
29 1 1 . . . . . . . . . 111 . HD* parsed_2kid 1
29 1 2 . . . . . . . . . 703 . HD# parsed_2kid 1
30 1 1 . . . . . . . . . 111 . HD* parsed_2kid 1
30 1 2 . . . . . . . . . 702 . HA parsed_2kid 1
31 1 1 . . . . . . . . . 111 . HD* parsed_2kid 1
31 1 2 . . . . . . . . . 703 . HG parsed_2kid 1
32 1 1 . . . . . . . . . 124 . HD1* parsed_2kid 1
32 1 2 . . . . . . . . . 702 . HA parsed_2kid 1
33 1 1 . . . . . . . . . 124 . HD1* parsed_2kid 1
33 1 2 . . . . . . . . . 703 . HD# parsed_2kid 1
34 1 1 . . . . . . . . . 124 . HD1* parsed_2kid 1
34 1 2 . . . . . . . . . 703 . HG parsed_2kid 1
35 1 1 . . . . . . . . . 124 . HG2* parsed_2kid 1
35 1 2 . . . . . . . . . 703 . HD# parsed_2kid 1
36 1 1 . . . . . . . . . 124 . HG2* parsed_2kid 1
36 1 2 . . . . . . . . . 703 . HG parsed_2kid 1
37 1 1 . . . . . . . . . 136 . HE1 parsed_2kid 1
37 1 2 . . . . . . . . . 705 . HG2# parsed_2kid 1
38 1 1 . . . . . . . . . 136 . HE1 parsed_2kid 1
38 1 2 . . . . . . . . . 705 . HA parsed_2kid 1
39 1 1 . . . . . . . . . 136 . HE1 parsed_2kid 1
39 1 2 . . . . . . . . . 705 . HB parsed_2kid 1
40 1 1 . . . . . . . . . 139 . HE parsed_2kid 1
40 1 2 . . . . . . . . . 702 . HD* parsed_2kid 1
41 1 1 . . . . . . . . . 139 . HE parsed_2kid 1
41 1 2 . . . . . . . . . 702 . HG parsed_2kid 1
42 1 1 . . . . . . . . . 139 . HD# parsed_2kid 1
42 1 2 . . . . . . . . . 702 . HD* 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 . . . . . 2.00 1.80 3.20 parsed_2kid 1
2 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
3 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
4 1 . . . . . 2.00 1.80 3.20 parsed_2kid 1
5 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
6 1 . . . . . 2.00 1.80 4.00 parsed_2kid 1
7 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
8 1 . . . . . 2.00 1.80 5.50 parsed_2kid 1
9 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
10 1 . . . . . 2.00 1.80 3.20 parsed_2kid 1
11 1 . . . . . 2.00 1.80 5.50 parsed_2kid 1
12 1 . . . . . 2.00 1.80 3.20 parsed_2kid 1
13 1 . . . . . 2.00 1.80 5.00 parsed_2kid 1
14 1 . . . . . 2.00 1.80 5.00 parsed_2kid 1
15 1 . . . . . 2.00 1.80 5.50 parsed_2kid 1
16 1 . . . . . 2.00 1.80 3.40 parsed_2kid 1
17 1 . . . . . 2.00 1.80 3.30 parsed_2kid 1
18 1 . . . . . 2.00 1.80 3.20 parsed_2kid 1
19 1 . . . . . 2.00 1.80 3.30 parsed_2kid 1
20 1 . . . . . 2.00 1.80 2.70 parsed_2kid 1
21 1 . . . . . 2.00 1.80 5.00 parsed_2kid 1
22 1 . . . . . 2.00 1.80 3.50 parsed_2kid 1
23 1 . . . . . 2.00 1.80 5.00 parsed_2kid 1
24 1 . . . . . 2.0 1.8 3.8 parsed_2kid 1
25 1 . . . . . 2.0 1.8 3.2 parsed_2kid 1
26 1 . . . . . 2.0 1.8 5.5 parsed_2kid 1
27 1 . . . . . 2.0 1.8 3.3 parsed_2kid 1
28 1 . . . . . 2.0 1.8 5.5 parsed_2kid 1
29 1 . . . . . 2.00 1.80 3.30 parsed_2kid 1
30 1 . . . . . 2.00 1.80 3.30 parsed_2kid 1
31 1 . . . . . 2.00 1.80 3.20 parsed_2kid 1
32 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
33 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
34 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
35 1 . . . . . 2.00 1.80 3.80 parsed_2kid 1
36 1 . . . . . 2.00 1.80 3.20 parsed_2kid 1
37 1 . . . . . 3.00 2.80 3.40 parsed_2kid 1
38 1 . . . . . 3.00 2.80 5.50 parsed_2kid 1
39 1 . . . . . 3.00 2.80 4.50 parsed_2kid 1
40 1 . . . . . 2.00 1.80 3.50 parsed_2kid 1
41 1 . . . . . 2.00 1.80 5.50 parsed_2kid 1
42 1 . . . . . 2.00 1.80 5.00 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
For HN 2.9/3.5/5.0
For CH 2.7/3.3/5.0
methyls add 0.5
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
A34 to PRO !(no strong NOEs to HA)
;
1 1 9 36 parsed_2kid 1
2
;
S SOLID MAY 3DINTER+3D +NEW3DINTER
assign (resid 34 and name HB#) (resid 703 and name HG#) 2.00 0.20 1.00 ! S
;
10 78 11 82 parsed_2kid 1
3 "M SOLID MAY 3DINTER+3D+ NEW3DINTER" 12 78 12 114 parsed_2kid 1
4
;
NEW3DINTER
L39 to ALA
;
13 78 15 12 parsed_2kid 1
5 "S SOLID MAY 2D FILT + NEW3DINTER" 16 88 16 122 parsed_2kid 1
6 "M SOLID MAY 2D FILT + NEW3DINTER" 17 88 17 122 parsed_2kid 1
7
;
M SOLID MAY 2D FILTER
ALA46 to PRO
;
18 88 20 14 parsed_2kid 1
8 "M SOLID MAY 3D + 3DNEWINTER" 21 77 21 106 parsed_2kid 1
9 "W 3DNEWINTER" 22 78 22 92 parsed_2kid 1
10
;
M 3DNEWINTER
assign (resid 46 and name HA) (resid 703 and name HG#) 2.00 0.20 1.80 ! M check later MAY
ALA60 to PRO
;
23 78 26 14 parsed_2kid 1
11 "SOLID MAY ALLDATASETS" 27 78 27 104 parsed_2kid 1
12
;
SOLID MAY 3DINTERMOL
!assign (resid 60 and name HB*) (resid 704 and name HA) 2.00 0.20 3.00 ! M !OK ? 4/23
assign (resid 61 and name HN) (resid 704 and name HB#) 2.00 0.20 3.0 !OL with A60HB
PRO 105 to LEU RTC
;
28 78 33 20 parsed_2kid 1
13
;
S MAY SOLID 3D +3DInter
Another weaker peak to HD
;
34 88 35 27 parsed_2kid 1
14 "W MAY SOLID FROM 3DINTER" 36 88 36 115 parsed_2kid 1
15 "W MAY SOLID FROM 3DINTER" 37 88 37 115 parsed_2kid 1
16
;
W MAY SOLID 3D + 3DInter
THR 106 to LEUm (noes to HD AND HG check this later, the HN noe to LHD is not correct)
no intermols from alpha from 3dinter
assign (resid 106 and name HA) (resid 702 and name HD*) 2.00 0.20 2.00 ! In 3D-C but OL
ASP107 (HN HAS UNASS NOES; HB solid to 110 and 103. Also to Leu HD?)
;
38 88 44 70 parsed_2kid 1
17 "S MAY 3DN + 3DINTER" 45 89 45 111 parsed_2kid 1
18
;
M MAY 3DN +?Inter
real?? in 3dnewinter
assign (resid 107 and name HB#) (resid 702 and name HD*) 2.00 0.20 2.00 !RTC Val103MET?
VAL 108 to LEU RTC
;
46 89 50 21 parsed_2kid 1
19 "3D Inter S RTC SOLID MAY2" 51 88 51 114 parsed_2kid 1
20 "3D Inter M RTC SOLID MAY2minus" 52 88 52 119 parsed_2kid 1
21
;
3D Inter S RTC SOLID MAY2
possible noes from Hb of V108
HG may show to CBZ and HG
Although one HG is OL it also shows weak to CBZ
reclassed as med
;
53 88 58 18 parsed_2kid 1
22 "M SOLID MAY 3DN" 59 89 59 106 parsed_2kid 1
23
;
M SOLID MAY 3DN
didn't see to Leu HN
GLY 109 to LEU RTC
;
60 89 64 21 parsed_2kid 1
24
;
W SOLID MAY 3DN
assign (resid 109 and name HN) (resid 702 and name HB#) 2.00 0.20 3.0 ! W
VAL 110 to LEU 702 alot of OL Added back 5/6
;
65 89 69 46 parsed_2kid 1
25 "M NEW3DINTER" 70 85 70 98 parsed_2kid 1
26 "S NEW3DINTER" 71 85 71 98 parsed_2kid 1
27 "W NEW3DINTER" 72 85 72 98 parsed_2kid 1
28 "S NEW3DINTER" 73 85 73 98 parsed_2kid 1
29
;
W NEW3DINTER
HN??
assign (resid 110 and name HA) (resid 702 and name HB#) 2.0 0.2 3.0
assign (resid 110 and name HA) (resid 702 and name HG) 2.0 0.2 5.0 !Changed on 080906 from 2.0 0.2 0.7 Tom
assign (resid 110 and name HN) (resid 702 and name HD*) 2.00 0.20 1.4 ! S
assign (resid 110 and name HN) (resid 702 and name HB#) 2.00 0.20 3.0 ! S !Changed from 2.00 0.20 1.4 Tom
assign (resid 110 and name HG*) (resid 703 and name HD#) 2.00 0.20 1.8 !S
LEU 111
NOES TO CBZ
LEU 111 contacts a peak at 7.4 (can only be CBZ?)
assign (resid 111 and name HD*) (resid 702 and name HB*) 2.00 0.20 1.50 !
NEEDS TO BE ADDED
LEU 111 to LEU 702
assign (resid 111 and name HN) (resid 702 and name HD*) 2.00 0.20 1.40 !Strong
LEU111 to PRO (Added 2/07)
;
74 85 90 28 parsed_2kid 1
30 "S NEW3DINTER" 91 78 91 97 parsed_2kid 1
31 "S NEW3DINTER" 92 78 92 97 parsed_2kid 1
32
;
S Only in 3dInter
assign (resid 111 and name HG*) (resid 703 and name HD#) 2.00 0.20 3.50 ! W Added on 031108
assign (resid 111 and name HN) (resid 702 and name HD*) 2.00 0.20 3.0 ! S !Changed from 2.00 0.20 1.4 Tom
ssign (resid 111 and name HN) (resid 702 and name HB#) 2.00 0.20 4.0 ! W
ILE124 to PRO (maybe to Ala?)
;
93 79 98 31 parsed_2kid 1
33 "SOLID MAY 3DINTER+2D+NEW3DINTER" 99 79 99 116 parsed_2kid 1
34 "SOLID MAY 3DINTER+2D+NEW3DINTER" 100 79 100 112 parsed_2kid 1
35 "SOLID MAY 3DINTER+2D+NEW3DINTER" 101 80 101 113 parsed_2kid 1
36 "M NEW3DINTER" 102 79 102 93 parsed_2kid 1
37
;
S NEW3DINTER
W136 RTC
;
103 80 105 10 parsed_2kid 1
38 RTC 106 88 106 92 parsed_2kid 1
39 RTC 107 88 107 93 parsed_2kid 1
40
;
RTC
R139 RTC
;
108 88 110 10 parsed_2kid 1
41 M 111 78 111 81 parsed_2kid 1
42 W 112 79 112 82 parsed_2kid 1
43 W 113 79 113 82 parsed_2kid 1
stop_
save_