NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
588236 |
2mzd   |
25484 | cing | 2-parsed | STAR | distance | NOE | simple | 22 |
data_2mzd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mzd
_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_2mzd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mzd
_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 2mzd "Master copy" parsed_2mzd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mzd
_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 2mzd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mzd 1
1 2mzd.mr . . XPLOR/CNS 2 distance NOE simple 1971 parsed_2mzd 1
1 2mzd.mr . . XPLOR/CNS 3 distance NOE simple 22 parsed_2mzd 1
1 2mzd.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mzd 1
1 2mzd.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2mzd 1
1 2mzd.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mzd 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mzd
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2mzd 1
2 1 . . . parsed_2mzd 1
3 1 . . . parsed_2mzd 1
4 1 . . . parsed_2mzd 1
5 1 . . . parsed_2mzd 1
6 1 . . . parsed_2mzd 1
7 1 . . . parsed_2mzd 1
8 1 . . . parsed_2mzd 1
9 1 . . . parsed_2mzd 1
10 1 . . . parsed_2mzd 1
11 1 . . . parsed_2mzd 1
12 1 . . . parsed_2mzd 1
13 1 . . . parsed_2mzd 1
14 1 . . . parsed_2mzd 1
15 1 . . . parsed_2mzd 1
16 1 . . . parsed_2mzd 1
17 1 . . . parsed_2mzd 1
18 1 . . . parsed_2mzd 1
19 1 . . . parsed_2mzd 1
20 1 . . . parsed_2mzd 1
21 1 . . . parsed_2mzd 1
22 1 . . . parsed_2mzd 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 . . . . . . . . B 1 . HG parsed_2mzd 1
1 1 2 . . . . . . . . B 1 . HA parsed_2mzd 1
2 1 1 . . . . . . . . B 5 . HB# parsed_2mzd 1
2 1 2 . . . . . . . . B 6 . HB# parsed_2mzd 1
3 1 1 . . . . . . . . B 6 . HG# parsed_2mzd 1
3 1 2 . . . . . . . . B 6 . HA parsed_2mzd 1
4 1 1 . . . . . . . . B 9 . HA parsed_2mzd 1
4 1 2 . . . . . . . . B 9 . HD2# parsed_2mzd 1
5 1 1 . . . . . . . . B 9 . HB# parsed_2mzd 1
5 1 2 . . . . . . . . B 9 . HD1# parsed_2mzd 1
6 1 1 . . . . . . . . B 9 . HB# parsed_2mzd 1
6 1 2 . . . . . . . . B 9 . HD2# parsed_2mzd 1
7 1 1 . . . . . . . . B 9 . HG parsed_2mzd 1
7 1 2 . . . . . . . . B 9 . HA parsed_2mzd 1
8 1 1 . . . . . . . . B 10 . HG# parsed_2mzd 1
8 1 2 . . . . . . . . B 10 . HA parsed_2mzd 1
9 1 1 . . . . . . . . B 11 . HA parsed_2mzd 1
9 1 2 . . . . . . . . B 11 . HD1# parsed_2mzd 1
10 1 1 . . . . . . . . B 11 . HB# parsed_2mzd 1
10 1 2 . . . . . . . . B 11 . HD1# parsed_2mzd 1
11 1 1 . . . . . . . . B 11 . HG parsed_2mzd 1
11 1 2 . . . . . . . . B 11 . HA parsed_2mzd 1
12 1 1 . . . . . . . . B 13 . HB1 parsed_2mzd 1
12 1 2 . . . . . . . . B 13 . HD# parsed_2mzd 1
13 1 1 . . . . . . . . B 16 . HA parsed_2mzd 1
13 1 2 . . . . . . . . B 16 . HG2# parsed_2mzd 1
14 1 1 . . . . . . . . B 16 . HA parsed_2mzd 1
14 1 2 . . . . . . . . B 16 . HD1# parsed_2mzd 1
15 1 1 . . . . . . . . B 16 . HB parsed_2mzd 1
15 1 2 . . . . . . . . B 16 . HD1# parsed_2mzd 1
16 1 1 . . . . . . . . B 17 . HA parsed_2mzd 1
16 1 2 . . . . . . . . B 17 . HG# parsed_2mzd 1
17 1 1 . . . . . . . . B 17 . HA parsed_2mzd 1
17 1 2 . . . . . . . . B 18 . HA parsed_2mzd 1
18 1 1 . . . . . . . . B 18 . HA parsed_2mzd 1
18 1 2 . . . . . . . . B 18 . HG# parsed_2mzd 1
19 1 1 . . . . . . . . B 21 . HA parsed_2mzd 1
19 1 2 . . . . . . . . B 21 . HG2# parsed_2mzd 1
20 1 1 . . . . . . . . B 22 . HG# parsed_2mzd 1
20 1 2 . . . . . . . . B 22 . HA parsed_2mzd 1
21 1 1 . . . . . . . . B 23 . HA parsed_2mzd 1
21 1 2 . . . . . . . . B 24 . HD# parsed_2mzd 1
22 1 1 . . . . . . . . B 24 . HB1 parsed_2mzd 1
22 1 2 . . . . . . . . B 24 . HD# parsed_2mzd 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 . . . . . 4.5 2.3 6.5 parsed_2mzd 1
2 1 . . . . . 4.0 1.8 6.0 parsed_2mzd 1
3 1 . . . . . 4.5 2.3 7.0 parsed_2mzd 1
4 1 . . . . . 2.5 1.8 3.4 parsed_2mzd 1
5 1 . . . . . 3.5 2.3 5.0 parsed_2mzd 1
6 1 . . . . . 3.5 2.3 5.0 parsed_2mzd 1
7 1 . . . . . 4.5 2.3 6.5 parsed_2mzd 1
8 1 . . . . . 4.5 2.3 7.0 parsed_2mzd 1
9 1 . . . . . 3.5 2.3 4.5 parsed_2mzd 1
10 1 . . . . . 2.5 1.8 3.9 parsed_2mzd 1
11 1 . . . . . 4.5 2.3 6.5 parsed_2mzd 1
12 1 . . . . . 4.0 1.8 5.5 parsed_2mzd 1
13 1 . . . . . 4.0 1.8 5.5 parsed_2mzd 1
14 1 . . . . . 4.0 1.8 5.5 parsed_2mzd 1
15 1 . . . . . 2.5 1.8 3.4 parsed_2mzd 1
16 1 . . . . . 3.5 2.3 4.5 parsed_2mzd 1
17 1 . . . . . 3.5 2.3 4.5 parsed_2mzd 1
18 1 . . . . . 2.5 1.8 3.4 parsed_2mzd 1
19 1 . . . . . 2.5 1.8 3.4 parsed_2mzd 1
20 1 . . . . . 3.5 2.3 4.5 parsed_2mzd 1
21 1 . . . . . 2.5 1.8 3.4 parsed_2mzd 1
22 1 . . . . . 4.0 1.8 5.5 parsed_2mzd 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
;
@ END_XPLR_NOE_FILE
pck2xplr.nawk Table; Input File: d2_cnoe.PCK
Date: Thu Aug 12 11:56:31 EDT 2010
Path: /home/fengh/My_xplor/p53d2
@ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A d2_cnoe.PCK 30 24 3 0 3
Total 30 24 3 0 3
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE
L1
;
1 1 14 5 parsed_2mzd 1
2
;
A.72 at 1.45e+06
P2
S3
Q4
A5
;
16 62 24 5 parsed_2mzd 1
3
;
A.95 at 2.81e+06
M6
;
26 62 28 5 parsed_2mzd 1
4
;
A.52 at 1.59e+06
D7
D8
L9
;
30 62 36 5 parsed_2mzd 1
5 "A.8 at 6.79e+06" 38 62 38 82 parsed_2mzd 1
6 "A.18 at 3.83e+06" 40 62 40 82 parsed_2mzd 1
7 "A.19 at 4.48e+06" 42 62 42 82 parsed_2mzd 1
8
;
A.71 at 1.75e+06
M10
;
44 62 46 6 parsed_2mzd 1
9
;
A.51 at 1.59e+06
L11
;
48 62 50 6 parsed_2mzd 1
10 "A.11 at 4.23e+06" 52 62 52 82 parsed_2mzd 1
11 "A.21 at 4.69e+06" 54 62 54 82 parsed_2mzd 1
12
;
A.70 at 1.82e+06
assign (segid B and resid 11 and name HB2 )
(segid B and resid 16 and name HG2# ) 4.5 2.2 2.5 ! A.82 at 1.78e+06
S12
P13
;
56 62 62 6 parsed_2mzd 1
13
;
A.44 at 2.23e+06
D14
D15
I16
;
64 62 70 6 parsed_2mzd 1
14 "A.1 at 2.60e+06" 72 62 72 82 parsed_2mzd 1
15 "A.1 at 2.60e+06" 74 62 74 82 parsed_2mzd 1
16
;
A.30 at 4.83e+06
E17
;
76 62 78 6 parsed_2mzd 1
17 "A.4 at 3.81e+06" 80 62 80 82 parsed_2mzd 1
18
;
A.7 at 4.57e+06
Q18
;
82 62 84 6 parsed_2mzd 1
19
;
A.6 at 5.35e+06
W19
F20
T21
;
86 62 92 6 parsed_2mzd 1
20
;
A.2 at 4.56e+06
E22
;
94 62 96 6 parsed_2mzd 1
21
;
A.34 at 3.15e+06
D23
;
98 62 100 6 parsed_2mzd 1
22
;
A.14 at 7.17e+06
P24
;
102 62 104 6 parsed_2mzd 1
23
;
A.45 at 2.23e+06
G25
@ END_XPLR_NOE_FILE
;
106 62 111 21 parsed_2mzd 1
24
;
echo=true
wrnlev=5
echo=false
wrnlev=0
;
113 1 116 16 parsed_2mzd 1
stop_
save_
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