NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
581290 |
2ml2   |
17249 | cing | 2-parsed | STAR | comment |
data_2ml2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ml2
_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_2ml2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ml2
_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 2ml2 "Master copy" parsed_2ml2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ml2
_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 2ml2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ml2 1
1 2ml2.mr . . XPLOR/CNS 2 distance NOE simple 1394 parsed_2ml2 1
1 2ml2.mr . . "MR format" 3 comment "Not applicable" "Not applicable" 0 parsed_2ml2 1
1 2ml2.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ml2 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2ml2
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
! XPLOR restraints file generated from CYANA aco file
! AlgE6R2-talos.aco by xtools
! PHI 9
assign (resid 8 and name C) (resid 9 and name N)
(resid 9 and name CA) (resid 9 and name C) 1.0 -112.00 30.00 2
! PSI 9
assign (resid 9 and name N) (resid 9 and name CA)
(resid 9 and name C) (resid 10 and name N) 1.0 127.00 30.00 2
! PHI 10
assign (resid 9 and name C) (resid 10 and name N)
(resid 10 and name CA) (resid 10 and name C) 1.0 -114.00 30.00 2
! PSI 10
assign (resid 10 and name N) (resid 10 and name CA)
(resid 10 and name C) (resid 11 and name N) 1.0 128.00 30.00 2
! PHI 17
assign (resid 16 and name C) (resid 17 and name N)
(resid 17 and name CA) (resid 17 and name C) 1.0 -105.00 30.00 2
! PSI 17
assign (resid 17 and name N) (resid 17 and name CA)
(resid 17 and name C) (resid 18 and name N) 1.0 125.00 30.00 2
! PHI 18
assign (resid 17 and name C) (resid 18 and name N)
(resid 18 and name CA) (resid 18 and name C) 1.0 -111.00 30.00 2
! PSI 18
assign (resid 18 and name N) (resid 18 and name CA)
(resid 18 and name C) (resid 19 and name N) 1.0 124.00 30.00 2
! PHI 19
assign (resid 18 and name C) (resid 19 and name N)
(resid 19 and name CA) (resid 19 and name C) 1.0 -102.00 30.00 2
! PSI 19
assign (resid 19 and name N) (resid 19 and name CA)
(resid 19 and name C) (resid 20 and name N) 1.0 131.00 30.00 2
! PHI 26
assign (resid 25 and name C) (resid 26 and name N)
(resid 26 and name CA) (resid 26 and name C) 1.0 -111.00 30.00 2
! PSI 26
!RW assign (resid 26 and name N) (resid 26 and name CA)
!RW (resid 26 and name C) (resid 27 and name N) 1.0 124.00 30.00 2
! PHI 27
assign (resid 26 and name C) (resid 27 and name N)
(resid 27 and name CA) (resid 27 and name C) 1.0 -115.00 30.00 2
! PSI 27
assign (resid 27 and name N) (resid 27 and name CA)
(resid 27 and name C) (resid 28 and name N) 1.0 128.00 30.00 2
! PHI 28
assign (resid 27 and name C) (resid 28 and name N)
(resid 28 and name CA) (resid 28 and name C) 1.0 -122.00 30.00 2
! PSI 28
assign (resid 28 and name N) (resid 28 and name CA)
(resid 28 and name C) (resid 29 and name N) 1.0 163.00 30.00 2
! PHI 35
assign (resid 34 and name C) (resid 35 and name N)
(resid 35 and name CA) (resid 35 and name C) 1.0 -133.00 30.00 2
! PSI 35
assign (resid 35 and name N) (resid 35 and name CA)
(resid 35 and name C) (resid 36 and name N) 1.0 134.00 30.00 2
! PHI 37
assign (resid 36 and name C) (resid 37 and name N)
(resid 37 and name CA) (resid 37 and name C) 1.0 -110.00 30.00 2
! PSI 37
assign (resid 37 and name N) (resid 37 and name CA)
(resid 37 and name C) (resid 38 and name N) 1.0 166.00 30.00 2
! PHI 44
assign (resid 43 and name C) (resid 44 and name N)
(resid 44 and name CA) (resid 44 and name C) 1.0 -115.00 30.00 2
! PSI 44
assign (resid 44 and name N) (resid 44 and name CA)
(resid 44 and name C) (resid 45 and name N) 1.0 128.00 30.00 2
! PHI 46
assign (resid 45 and name C) (resid 46 and name N)
(resid 46 and name CA) (resid 46 and name C) 1.0 -116.00 30.00 2
! PSI 46
assign (resid 46 and name N) (resid 46 and name CA)
(resid 46 and name C) (resid 47 and name N) 1.0 136.00 30.00 2
! PHI 53
assign (resid 52 and name C) (resid 53 and name N)
(resid 53 and name CA) (resid 53 and name C) 1.0 -121.00 30.00 2
! PSI 53
assign (resid 53 and name N) (resid 53 and name CA)
(resid 53 and name C) (resid 54 and name N) 1.0 128.00 30.00 2
! PHI 54
assign (resid 53 and name C) (resid 54 and name N)
(resid 54 and name CA) (resid 54 and name C) 1.0 -119.00 30.00 2
! PSI 54
assign (resid 54 and name N) (resid 54 and name CA)
(resid 54 and name C) (resid 55 and name N) 1.0 129.00 30.00 2
! PHI 55
assign (resid 54 and name C) (resid 55 and name N)
(resid 55 and name CA) (resid 55 and name C) 1.0 -97.00 30.00 2
! PSI 55
assign (resid 55 and name N) (resid 55 and name CA)
(resid 55 and name C) (resid 56 and name N) 1.0 122.00 30.00 2
! PHI 62
assign (resid 61 and name C) (resid 62 and name N)
(resid 62 and name CA) (resid 62 and name C) 1.0 -115.00 30.00 2
! PSI 62
assign (resid 62 and name N) (resid 62 and name CA)
(resid 62 and name C) (resid 63 and name N) 1.0 126.00 30.00 2
! PHI 63
assign (resid 62 and name C) (resid 63 and name N)
(resid 63 and name CA) (resid 63 and name C) 1.0 -105.00 30.00 2
! PSI 63
assign (resid 63 and name N) (resid 63 and name CA)
(resid 63 and name C) (resid 64 and name N) 1.0 125.00 30.00 2
! PHI 64
assign (resid 63 and name C) (resid 64 and name N)
(resid 64 and name CA) (resid 64 and name C) 1.0 -113.00 30.00 2
! PSI 64
assign (resid 64 and name N) (resid 64 and name CA)
(resid 64 and name C) (resid 65 and name N) 1.0 139.00 30.00 2
! PHI 65
assign (resid 64 and name C) (resid 65 and name N)
(resid 65 and name CA) (resid 65 and name C) 1.0 -118.00 30.00 2
! PSI 65
assign (resid 65 and name N) (resid 65 and name CA)
(resid 65 and name C) (resid 66 and name N) 1.0 124.00 30.00 2
! PHI 68
assign (resid 67 and name C) (resid 68 and name N)
(resid 68 and name CA) (resid 68 and name C) 1.0 -57.00 30.00 2
! PSI 68
assign (resid 68 and name N) (resid 68 and name CA)
(resid 68 and name C) (resid 69 and name N) 1.0 -45.00 30.00 2
! PHI 69
assign (resid 68 and name C) (resid 69 and name N)
(resid 69 and name CA) (resid 69 and name C) 1.0 -64.00 30.00 2
! PSI 69
assign (resid 69 and name N) (resid 69 and name CA)
(resid 69 and name C) (resid 70 and name N) 1.0 -28.00 30.00 2
! PHI 72
assign (resid 71 and name C) (resid 72 and name N)
(resid 72 and name CA) (resid 72 and name C) 1.0 -132.00 30.00 2
! PSI 72
assign (resid 72 and name N) (resid 72 and name CA)
(resid 72 and name C) (resid 73 and name N) 1.0 161.00 30.00 2
! PHI 73
assign (resid 72 and name C) (resid 73 and name N)
(resid 73 and name CA) (resid 73 and name C) 1.0 -140.00 30.00 2
! PSI 73
assign (resid 73 and name N) (resid 73 and name CA)
(resid 73 and name C) (resid 74 and name N) 1.0 152.00 30.00 2
! PHI 74
assign (resid 73 and name C) (resid 74 and name N)
(resid 74 and name CA) (resid 74 and name C) 1.0 -121.00 30.00 2
! PSI 74
assign (resid 74 and name N) (resid 74 and name CA)
(resid 74 and name C) (resid 75 and name N) 1.0 151.00 30.00 2
! PHI 78
assign (resid 77 and name C) (resid 78 and name N)
(resid 78 and name CA) (resid 78 and name C) 1.0 -89.00 30.00 2
! PSI 78
assign (resid 78 and name N) (resid 78 and name CA)
(resid 78 and name C) (resid 79 and name N) 1.0 127.00 30.00 2
! PHI 79
assign (resid 78 and name C) (resid 79 and name N)
(resid 79 and name CA) (resid 79 and name C) 1.0 -96.00 30.00 2
! PSI 79
assign (resid 79 and name N) (resid 79 and name CA)
(resid 79 and name C) (resid 80 and name N) 1.0 122.00 30.00 2
! PHI 82
assign (resid 81 and name C) (resid 82 and name N)
(resid 82 and name CA) (resid 82 and name C) 1.0 -119.00 30.00 2
! PSI 82
assign (resid 82 and name N) (resid 82 and name CA)
(resid 82 and name C) (resid 83 and name N) 1.0 129.00 30.00 2
! PHI 83
assign (resid 82 and name C) (resid 83 and name N)
(resid 83 and name CA) (resid 83 and name C) 1.0 -75.00 30.00 2
! PSI 83
assign (resid 83 and name N) (resid 83 and name CA)
(resid 83 and name C) (resid 84 and name N) 1.0 132.00 30.00 2
! PHI 84
assign (resid 83 and name C) (resid 84 and name N)
(resid 84 and name CA) (resid 84 and name C) 1.0 -72.00 30.00 2
! PSI 84
assign (resid 84 and name N) (resid 84 and name CA)
(resid 84 and name C) (resid 85 and name N) 1.0 136.00 30.00 2
! PHI 92
assign (resid 91 and name C) (resid 92 and name N)
(resid 92 and name CA) (resid 92 and name C) 1.0 -141.00 30.00 2
! PSI 92
assign (resid 92 and name N) (resid 92 and name CA)
(resid 92 and name C) (resid 93 and name N) 1.0 151.00 30.00 2
! PHI 93
assign (resid 92 and name C) (resid 93 and name N)
(resid 93 and name CA) (resid 93 and name C) 1.0 -115.00 30.00 2
! PSI 93
assign (resid 93 and name N) (resid 93 and name CA)
(resid 93 and name C) (resid 94 and name N) 1.0 123.00 30.00 2
! PHI 96
assign (resid 95 and name C) (resid 96 and name N)
(resid 96 and name CA) (resid 96 and name C) 1.0 -59.00 30.00 2
! PSI 96
assign (resid 96 and name N) (resid 96 and name CA)
(resid 96 and name C) (resid 97 and name N) 1.0 -38.00 30.00 2
! PHI 97
assign (resid 96 and name C) (resid 97 and name N)
(resid 97 and name CA) (resid 97 and name C) 1.0 -71.00 30.00 2
! PSI 97
assign (resid 97 and name N) (resid 97 and name CA)
(resid 97 and name C) (resid 98 and name N) 1.0 -25.00 30.00 2
! PHI 98
assign (resid 97 and name C) (resid 98 and name N)
(resid 98 and name CA) (resid 98 and name C) 1.0 -89.00 30.00 2
! PSI 98
assign (resid 98 and name N) (resid 98 and name CA)
(resid 98 and name C) (resid 99 and name N) 1.0 0.00 30.00 2
! PHI 111
assign (resid 110 and name C) (resid 111 and name N)
(resid 111 and name CA) (resid 111 and name C) 1.0 -134.00 30.00 2
! PSI 111
assign (resid 111 and name N) (resid 111 and name CA)
(resid 111 and name C) (resid 112 and name N) 1.0 142.00 30.00 2
! PHI 112
assign (resid 111 and name C) (resid 112 and name N)
(resid 112 and name CA) (resid 112 and name C) 1.0 -111.00 30.00 2
! PSI 112
assign (resid 112 and name N) (resid 112 and name CA)
(resid 112 and name C) (resid 113 and name N) 1.0 123.00 30.00 2
! PHI 113
assign (resid 112 and name C) (resid 113 and name N)
(resid 113 and name CA) (resid 113 and name C) 1.0 -120.00 30.00 2
! PSI 113
assign (resid 113 and name N) (resid 113 and name CA)
(resid 113 and name C) (resid 114 and name N) 1.0 133.00 30.00 2
! PHI 114
assign (resid 113 and name C) (resid 114 and name N)
(resid 114 and name CA) (resid 114 and name C) 1.0 -133.00 30.00 2
! PSI 114
assign (resid 114 and name N) (resid 114 and name CA)
(resid 114 and name C) (resid 115 and name N) 1.0 152.00 30.00 2
! PHI 115
assign (resid 114 and name C) (resid 115 and name N)
(resid 115 and name CA) (resid 115 and name C) 1.0 -128.00 30.00 2
! PSI 115
assign (resid 115 and name N) (resid 115 and name CA)
(resid 115 and name C) (resid 116 and name N) 1.0 142.00 30.00 2
! PHI 116
assign (resid 115 and name C) (resid 116 and name N)
(resid 116 and name CA) (resid 116 and name C) 1.0 -91.00 30.00 2
! PSI 116
assign (resid 116 and name N) (resid 116 and name CA)
(resid 116 and name C) (resid 117 and name N) 1.0 152.00 30.00 2
! PHI 117
assign (resid 116 and name C) (resid 117 and name N)
(resid 117 and name CA) (resid 117 and name C) 1.0 -59.00 30.00 2
! PSI 117
assign (resid 117 and name N) (resid 117 and name CA)
(resid 117 and name C) (resid 118 and name N) 1.0 -30.00 30.00 2
! PHI 118
assign (resid 117 and name C) (resid 118 and name N)
(resid 118 and name CA) (resid 118 and name C) 1.0 -86.00 30.00 2
! PSI 118
assign (resid 118 and name N) (resid 118 and name CA)
(resid 118 and name C) (resid 119 and name N) 1.0 3.00 30.00 2
! PHI 121
assign (resid 120 and name C) (resid 121 and name N)
(resid 121 and name CA) (resid 121 and name C) 1.0 -138.00 30.00 2
! PSI 121
assign (resid 121 and name N) (resid 121 and name CA)
(resid 121 and name C) (resid 122 and name N) 1.0 144.00 30.00 2
! PHI 122
assign (resid 121 and name C) (resid 122 and name N)
(resid 122 and name CA) (resid 122 and name C) 1.0 -117.00 30.00 2
! PSI 122
assign (resid 122 and name N) (resid 122 and name CA)
(resid 122 and name C) (resid 123 and name N) 1.0 129.00 30.00 2
! PHI 123
assign (resid 122 and name C) (resid 123 and name N)
(resid 123 and name CA) (resid 123 and name C) 1.0 -118.00 30.00 2
! PSI 123
assign (resid 123 and name N) (resid 123 and name CA)
(resid 123 and name C) (resid 124 and name N) 1.0 138.00 30.00 2
! PHI 124
assign (resid 123 and name C) (resid 124 and name N)
(resid 124 and name CA) (resid 124 and name C) 1.0 -130.00 30.00 2
! PSI 124
assign (resid 124 and name N) (resid 124 and name CA)
(resid 124 and name C) (resid 125 and name N) 1.0 151.00 30.00 2
! PHI 125
assign (resid 124 and name C) (resid 125 and name N)
(resid 125 and name CA) (resid 125 and name C) 1.0 -128.00 30.00 2
! PSI 125
assign (resid 125 and name N) (resid 125 and name CA)
(resid 125 and name C) (resid 126 and name N) 1.0 150.00 30.00 2
! PHI 126
assign (resid 125 and name C) (resid 126 and name N)
(resid 126 and name CA) (resid 126 and name C) 1.0 -105.00 30.00 2
! PSI 126
assign (resid 126 and name N) (resid 126 and name CA)
(resid 126 and name C) (resid 127 and name N) 1.0 138.00 30.00 2
! PHI 131
assign (resid 130 and name C) (resid 131 and name N)
(resid 131 and name CA) (resid 131 and name C) 1.0 -62.00 30.00 2
! PSI 131
assign (resid 131 and name N) (resid 131 and name CA)
(resid 131 and name C) (resid 132 and name N) 1.0 -20.00 30.00 2
! PHI 132
assign (resid 131 and name C) (resid 132 and name N)
(resid 132 and name CA) (resid 132 and name C) 1.0 -90.00 30.00 2
! PSI 132
assign (resid 132 and name N) (resid 132 and name CA)
(resid 132 and name C) (resid 133 and name N) 1.0 -1.00 30.00 2
! PHI 134
assign (resid 133 and name C) (resid 134 and name N)
(resid 134 and name CA) (resid 134 and name C) 1.0 -94.00 30.00 2
! PSI 134
assign (resid 134 and name N) (resid 134 and name CA)
(resid 134 and name C) (resid 135 and name N) 1.0 137.00 30.00 2
! PHI 135
assign (resid 134 and name C) (resid 135 and name N)
(resid 135 and name CA) (resid 135 and name C) 1.0 -122.00 30.00 2
! PSI 135
assign (resid 135 and name N) (resid 135 and name CA)
(resid 135 and name C) (resid 136 and name N) 1.0 136.00 30.00 2
! PHI 1
;
save_
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