NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
645534 |
6kr8   |
36284 | cing | 2-parsed | STAR | distance | PRE |
data_6kr8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6kr8
_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_6kr8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6kr8
_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 6kr8 "Master copy" parsed_6kr8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6kr8
_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 6kr8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kr8 1
1 6kr8.mr . . XPLOR/CNS 2 distance "general distance" simple 35 parsed_6kr8 1
1 6kr8.mr . . XPLOR/CNS 3 distance PRE "Not applicable" 0 parsed_6kr8 1
1 6kr8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kr8 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6kr8
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type PRE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
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 "assign (resid 340 and name HN) (resid 334 and name OS1) 100 10 ! To noe" 113 1 113 85 parsed_6kr8 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 2: Fm_pre.tbl" 1 1 1 31 parsed_6kr8 1
2
;
assign (resid 42 and name HN) (resid 59 and name OS1) 0 1.00 ! error = 0.43
assign (resid 45 and name HN) (resid 59 and name OS1) 0 1.00 ! error = 0.86
;
5 2 6 2 parsed_6kr8 1
3
;
assign (resid 45 and name HN) (resid 59 and name OS1) 0 1.00 ! error = 0.86
assign (resid 53 and name HN) (resid 59 and name OS1) 41.39 7.45
;
6 2 7 2 parsed_6kr8 1
4
;
assign (resid 53 and name HN) (resid 59 and name OS1) 41.39 7.45
assign (resid 64 and name HN) (resid 59 and name OS1) 30.79 6.66
;
7 2 8 2 parsed_6kr8 1
5
;
assign (resid 64 and name HN) (resid 59 and name OS1) 30.79 6.66
assign (resid 80 and name HN) (resid 59 and name OS1) 32.56 7.63
;
8 2 9 2 parsed_6kr8 1
6
;
assign (resid 80 and name HN) (resid 59 and name OS1) 32.56 7.63
assign (resid 84 and name HN) (resid 59 and name OS1) 7.44 1.60
;
9 2 10 2 parsed_6kr8 1
7
;
assign (resid 84 and name HN) (resid 59 and name OS1) 7.44 1.60
assign (resid 115 and name HN) (resid 59 and name OS1) 0.00 1.41
;
10 2 11 2 parsed_6kr8 1
8
;
assign (resid 115 and name HN) (resid 59 and name OS1) 0.00 1.41
assign (resid 144 and name HN) (resid 59 and name OS1) 1.84 1.00 ! error = 0.36
;
11 2 12 2 parsed_6kr8 1
9
;
assign (resid 144 and name HN) (resid 59 and name OS1) 1.84 1.00 ! error = 0.36
assign (resid 145 and name HN) (resid 59 and name OS1) 22.93 4.16
;
12 2 13 2 parsed_6kr8 1
10
;
assign (resid 145 and name HN) (resid 59 and name OS1) 22.93 4.16
assign (resid 155 and name HN) (resid 59 and name OS1) 50.09 8.12
;
13 2 14 2 parsed_6kr8 1
11
;
assign (resid 155 and name HN) (resid 59 and name OS1) 50.09 8.12
assign (resid 163 and name HN) (resid 59 and name OS1) 6.65 1.36
;
14 2 15 2 parsed_6kr8 1
12
;
assign (resid 163 and name HN) (resid 59 and name OS1) 6.65 1.36
assign (resid 167 and name HN) (resid 59 and name OS1) 0 2.65
;
15 2 16 2 parsed_6kr8 1
13
;
assign (resid 167 and name HN) (resid 59 and name OS1) 0 2.65
assign (resid 212 and name HN) (resid 59 and name OS1) 0 4.73
;
16 2 17 2 parsed_6kr8 1
14
;
assign (resid 212 and name HN) (resid 59 and name OS1) 0 4.73
assign (resid 230 and name HN) (resid 59 and name OS1) 0 2.20
;
17 2 18 2 parsed_6kr8 1
15
;
assign (resid 230 and name HN) (resid 59 and name OS1) 0 2.20
assign (resid 266 and name HN) (resid 59 and name OS1) 8.29 1.38
;
18 2 19 2 parsed_6kr8 1
16
;
assign (resid 266 and name HN) (resid 59 and name OS1) 8.29 1.38
assign (resid 287 and name HN) (resid 59 and name OS1) 0.97 1.00 ! error = 0.16
;
19 2 20 2 parsed_6kr8 1
17
;
assign (resid 287 and name HN) (resid 59 and name OS1) 0.97 1.00 ! error = 0.16
assign (resid 311 and name HN) (resid 59 and name OS1) 0 1.35
;
20 2 21 2 parsed_6kr8 1
18
;
assign (resid 311 and name HN) (resid 59 and name OS1) 0 1.35
assign (resid 340 and name HN) (resid 59 and name OS1) 9.31 1.52
;
21 2 22 2 parsed_6kr8 1
19
;
assign (resid 340 and name HN) (resid 59 and name OS1) 9.31 1.52
!!!! T136C !!!!!
! Leu residue MTSL Gamma2 error
assign (resid 42 and name HN) (resid 136 and name OS1) 3.58 1.32
;
22 2 28 2 parsed_6kr8 1
20
;
assign (resid 42 and name HN) (resid 136 and name OS1) 3.58 1.32
assign (resid 45 and name HN) (resid 136 and name OS1) 17.22 5.06
;
28 2 29 2 parsed_6kr8 1
21
;
assign (resid 45 and name HN) (resid 136 and name OS1) 17.22 5.06
assign (resid 53 and name HN) (resid 136 and name OS1) 28.74 9.23
;
29 2 30 2 parsed_6kr8 1
22
;
assign (resid 53 and name HN) (resid 136 and name OS1) 28.74 9.23
assign (resid 64 and name HN) (resid 136 and name OS1) 48.85 26.81
;
30 2 31 2 parsed_6kr8 1
23
;
assign (resid 64 and name HN) (resid 136 and name OS1) 48.85 26.81
assign (resid 80 and name HN) (resid 136 and name OS1) 9.27 2.83
;
31 2 32 2 parsed_6kr8 1
24
;
assign (resid 80 and name HN) (resid 136 and name OS1) 9.27 2.83
assign (resid 84 and name HN) (resid 136 and name OS1) 5.20 1.68
;
32 2 33 2 parsed_6kr8 1
25
;
assign (resid 84 and name HN) (resid 136 and name OS1) 5.20 1.68
assign (resid 115 and name HN) (resid 136 and name OS1) 14.57 4.20 ! error = 0.92
;
33 2 34 2 parsed_6kr8 1
26
;
assign (resid 115 and name HN) (resid 136 and name OS1) 14.57 4.20 ! error = 0.92
!assign (resid 144 and name HN) (resid 136 and name OS1) 80 10 ! To noe
!assign (resid 145 and name HN) (resid 136 and name OS1) 80 10 ! To noe
assign (resid 155 and name HN) (resid 136 and name OS1) 14.20 4.24
;
34 2 37 2 parsed_6kr8 1
27
;
assign (resid 155 and name HN) (resid 136 and name OS1) 14.20 4.24
assign (resid 163 and name HN) (resid 136 and name OS1) 19.92 6.47
;
37 2 38 2 parsed_6kr8 1
28
;
assign (resid 163 and name HN) (resid 136 and name OS1) 19.92 6.47
assign (resid 167 and name HN) (resid 136 and name OS1) 0 5.66
;
38 2 39 2 parsed_6kr8 1
29
;
assign (resid 167 and name HN) (resid 136 and name OS1) 0 5.66
!assign (resid 212 and name HN) (resid 136 and name OS1) 0 10 ! Not available
!assign (resid 230 and name HN) (resid 136 and name OS1) 80 10 ! To noe
!assign (resid 266 and name HN) (resid 136 and name OS1) 80 10 ! To noe
assign (resid 287 and name HN) (resid 136 and name OS1) 7.31 1.58
;
39 2 43 2 parsed_6kr8 1
30
;
assign (resid 287 and name HN) (resid 136 and name OS1) 7.31 1.58
assign (resid 311 and name HN) (resid 136 and name OS1) 15.58 6.07
;
43 2 44 2 parsed_6kr8 1
31
;
assign (resid 311 and name HN) (resid 136 and name OS1) 15.58 6.07
assign (resid 340 and name HN) (resid 136 and name OS1) 21.10 5.63
;
44 2 45 2 parsed_6kr8 1
32
;
assign (resid 340 and name HN) (resid 136 and name OS1) 21.10 5.63
!!!! N148C !!!!!
! Leu residue MTSL Gamma2 error
assign (resid 42 and name HN) (resid 148 and name OS1) 3.67 1 ! error = 0.75
;
45 2 50 2 parsed_6kr8 1
33
;
assign (resid 42 and name HN) (resid 148 and name OS1) 3.67 1 ! error = 0.75
assign (resid 45 and name HN) (resid 148 and name OS1) 0 1.01
;
50 2 51 2 parsed_6kr8 1
34
;
assign (resid 45 and name HN) (resid 148 and name OS1) 0 1.01
assign (resid 53 and name HN) (resid 148 and name OS1) 11.80 2.52
;
51 2 52 2 parsed_6kr8 1
35
;
assign (resid 53 and name HN) (resid 148 and name OS1) 11.80 2.52
assign (resid 64 and name HN) (resid 148 and name OS1) 32.74 8.14
;
52 2 53 2 parsed_6kr8 1
36
;
assign (resid 64 and name HN) (resid 148 and name OS1) 32.74 8.14
assign (resid 80 and name HN) (resid 148 and name OS1) 0.64 1.00 ! error = 0.16
;
53 2 54 2 parsed_6kr8 1
37
;
assign (resid 80 and name HN) (resid 148 and name OS1) 0.64 1.00 ! error = 0.16
assign (resid 84 and name HN) (resid 148 and name OS1) 0 2.70
;
54 2 55 2 parsed_6kr8 1
38
;
assign (resid 84 and name HN) (resid 148 and name OS1) 0 2.70
assign (resid 115 and name HN) (resid 148 and name OS1) 0 1.09
;
55 2 56 2 parsed_6kr8 1
39
;
assign (resid 115 and name HN) (resid 148 and name OS1) 0 1.09
assign (resid 144 and name HN) (resid 148 and name OS1) 59.31 16.68
;
56 2 57 2 parsed_6kr8 1
40
;
assign (resid 144 and name HN) (resid 148 and name OS1) 59.31 16.68
assign (resid 145 and name HN) (resid 148 and name OS1) 78.90 18.51
;
57 2 58 2 parsed_6kr8 1
41
;
assign (resid 145 and name HN) (resid 148 and name OS1) 78.90 18.51
assign (resid 155 and name HN) (resid 148 and name OS1) 72.48 18.77
;
58 2 59 2 parsed_6kr8 1
42
;
assign (resid 155 and name HN) (resid 148 and name OS1) 72.48 18.77
assign (resid 163 and name HN) (resid 148 and name OS1) 22.23 6.35
;
59 2 60 2 parsed_6kr8 1
43
;
assign (resid 163 and name HN) (resid 148 and name OS1) 22.23 6.35
assign (resid 167 and name HN) (resid 148 and name OS1) 2.33 1.00 ! error = 0.73
;
60 2 61 2 parsed_6kr8 1
44
;
assign (resid 167 and name HN) (resid 148 and name OS1) 2.33 1.00 ! error = 0.73
assign (resid 212 and name HN) (resid 148 and name OS1) 2.46 1.04
;
61 2 62 2 parsed_6kr8 1
45
;
assign (resid 212 and name HN) (resid 148 and name OS1) 2.46 1.04
assign (resid 230 and name HN) (resid 148 and name OS1) 5.17 1.00 ! error = 0.90
;
62 2 63 2 parsed_6kr8 1
46
;
assign (resid 230 and name HN) (resid 148 and name OS1) 5.17 1.00 ! error = 0.90
assign (resid 266 and name HN) (resid 148 and name OS1) 39.04 7.09
;
63 2 64 2 parsed_6kr8 1
47
;
assign (resid 266 and name HN) (resid 148 and name OS1) 39.04 7.09
assign (resid 287 and name HN) (resid 148 and name OS1) 3.67 1.00 ! error = 0.60
;
64 2 65 2 parsed_6kr8 1
48
;
assign (resid 287 and name HN) (resid 148 and name OS1) 3.67 1.00 ! error = 0.60
assign (resid 311 and name HN) (resid 148 and name OS1) 6.09 1.63
;
65 2 66 2 parsed_6kr8 1
49
;
assign (resid 311 and name HN) (resid 148 and name OS1) 6.09 1.63
assign (resid 340 and name HN) (resid 148 and name OS1) 0 1.00 ! error = 0.35
;
66 2 67 2 parsed_6kr8 1
50
;
assign (resid 340 and name HN) (resid 148 and name OS1) 0 1.00 ! error = 0.35
!!!! L266C !!!!!
! Leu residue MTSL Gamma2 error
assign (resid 42 and name HN) (resid 266 and name OS1) 0 2.64
;
67 2 73 2 parsed_6kr8 1
51
;
assign (resid 42 and name HN) (resid 266 and name OS1) 0 2.64
assign (resid 45 and name HN) (resid 266 and name OS1) 0 1.30
;
73 2 74 2 parsed_6kr8 1
52
;
assign (resid 45 and name HN) (resid 266 and name OS1) 0 1.30
assign (resid 53 and name HN) (resid 266 and name OS1) 8.95 1.77
;
74 2 75 2 parsed_6kr8 1
53
;
assign (resid 53 and name HN) (resid 266 and name OS1) 8.95 1.77
assign (resid 64 and name HN) (resid 266 and name OS1) 47.42 15.02
;
75 2 76 2 parsed_6kr8 1
54
;
assign (resid 64 and name HN) (resid 266 and name OS1) 47.42 15.02
assign (resid 80 and name HN) (resid 266 and name OS1) 1.25 1.00 ! error = 0.3
;
76 2 77 2 parsed_6kr8 1
55
;
assign (resid 80 and name HN) (resid 266 and name OS1) 1.25 1.00 ! error = 0.3
assign (resid 84 and name HN) (resid 266 and name OS1) 3.80 1.00 ! error = 0.94
;
77 2 78 2 parsed_6kr8 1
56
;
assign (resid 84 and name HN) (resid 266 and name OS1) 3.80 1.00 ! error = 0.94
assign (resid 115 and name HN) (resid 266 and name OS1) 0 1.00 ! error = 0.80
;
78 2 79 2 parsed_6kr8 1
57
;
assign (resid 115 and name HN) (resid 266 and name OS1) 0 1.00 ! error = 0.80
assign (resid 144 and name HN) (resid 266 and name OS1) 19.48 3.80
;
79 2 80 2 parsed_6kr8 1
58
;
assign (resid 144 and name HN) (resid 266 and name OS1) 19.48 3.80
assign (resid 145 and name HN) (resid 266 and name OS1) 27.82 5.44
;
80 2 81 2 parsed_6kr8 1
59
;
assign (resid 145 and name HN) (resid 266 and name OS1) 27.82 5.44
assign (resid 155 and name HN) (resid 266 and name OS1) 26.81 4.38
;
81 2 82 2 parsed_6kr8 1
60
;
assign (resid 155 and name HN) (resid 266 and name OS1) 26.81 4.38
assign (resid 163 and name HN) (resid 266 and name OS1) 3.94 1.00 ! error = 0.95
;
82 2 83 2 parsed_6kr8 1
61
;
assign (resid 163 and name HN) (resid 266 and name OS1) 3.94 1.00 ! error = 0.95
assign (resid 167 and name HN) (resid 266 and name OS1) 0 5.96
;
83 2 84 2 parsed_6kr8 1
62
;
assign (resid 167 and name HN) (resid 266 and name OS1) 0 5.96
!assign (resid 212 and name HN) (resid 266 and name OS1) 0 10 ! Not available
!assign (resid 230 and name HN) (resid 266 and name OS1) 100 10 ! To noe
!assign (resid 266 and name HN) (resid 266 and name OS1) 100 10 ! Mutated
assign (resid 287 and name HN) (resid 266 and name OS1) 8.67 1.19
;
84 2 88 2 parsed_6kr8 1
63
;
assign (resid 287 and name HN) (resid 266 and name OS1) 8.67 1.19
assign (resid 311 and name HN) (resid 266 and name OS1) 3.19 1.00 ! error = 0.76
;
88 2 89 2 parsed_6kr8 1
64
;
assign (resid 311 and name HN) (resid 266 and name OS1) 3.19 1.00 ! error = 0.76
assign (resid 340 and name HN) (resid 266 and name OS1) 12.39 2.45
;
89 2 90 2 parsed_6kr8 1
65
;
assign (resid 340 and name HN) (resid 266 and name OS1) 12.39 2.45
!!!! I334C !!!!!
! Leu residue MTSL Gamma2 error
assign (resid 42 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.63
;
90 2 96 2 parsed_6kr8 1
66
;
assign (resid 42 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.63
assign (resid 45 and name HN) (resid 334 and name OS1) 5.75 1.08
;
96 2 97 2 parsed_6kr8 1
67
;
assign (resid 45 and name HN) (resid 334 and name OS1) 5.75 1.08
!assign (resid 53 and name HN) (resid 334 and name OS1) 100 10 ! To noe
!assign (resid 64 and name HN) (resid 334 and name OS1) 100 10 ! To noe
assign (resid 80 and name HN) (resid 334 and name OS1) 0.826 1.00 ! error = 0.15
;
97 2 100 2 parsed_6kr8 1
68
;
assign (resid 80 and name HN) (resid 334 and name OS1) 0.826 1.00 ! error = 0.15
assign (resid 84 and name HN) (resid 334 and name OS1) 0 2.05
;
100 2 101 2 parsed_6kr8 1
69
;
assign (resid 84 and name HN) (resid 334 and name OS1) 0 2.05
assign (resid 115 and name HN) (resid 334 and name OS1) 0 4.85
;
101 2 102 2 parsed_6kr8 1
70
;
assign (resid 115 and name HN) (resid 334 and name OS1) 0 4.85
assign (resid 144 and name HN) (resid 334 and name OS1) 0 2.04
;
102 2 103 2 parsed_6kr8 1
71
;
assign (resid 144 and name HN) (resid 334 and name OS1) 0 2.04
assign (resid 145 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.57
;
103 2 104 2 parsed_6kr8 1
72
;
assign (resid 145 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.57
assign (resid 155 and name HN) (resid 334 and name OS1) 6.03 1.06
;
104 2 105 2 parsed_6kr8 1
73
;
assign (resid 155 and name HN) (resid 334 and name OS1) 6.03 1.06
assign (resid 163 and name HN) (resid 334 and name OS1) 0 3.53
;
105 2 106 2 parsed_6kr8 1
74
;
assign (resid 163 and name HN) (resid 334 and name OS1) 0 3.53
assign (resid 167 and name HN) (resid 334 and name OS1) 0 3.70
;
106 2 107 2 parsed_6kr8 1
75
;
assign (resid 167 and name HN) (resid 334 and name OS1) 0 3.70
!assign (resid 212 and name HN) (resid 334 and name OS1) 0 10 ! Not available
assign (resid 230 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83
;
107 2 109 2 parsed_6kr8 1
76
;
assign (resid 230 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83
!assign (resid 266 and name HN) (resid 334 and name OS1) 100 10 ! To noe
assign (resid 287 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83
;
109 2 111 2 parsed_6kr8 1
77
;
assign (resid 287 and name HN) (resid 334 and name OS1) 0 1.00 ! error = 0.83
assign (resid 311 and name HN) (resid 334 and name OS1) 14.67 3.12
;
111 2 112 2 parsed_6kr8 1
stop_
save_
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