NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
652300 |
6kh8   |
cing | 2-parsed | STAR | dihedral angle |
data_6kh8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6kh8
_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_6kh8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6kh8
_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 6kh8 "Master copy" parsed_6kh8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6kh8
_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 6kh8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6kh8 1
1 6kh8.mr . . DYANA/DIANA 2 distance NOE simple 0 parsed_6kh8 1
1 6kh8.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6kh8 1
1 6kh8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6kh8 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6kh8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Restraints file 2: 0h_torsion1.aco" 1 1 1 36 parsed_6kh8 1
2 "Torsion angle constraintS" 2 1 2 56 parsed_6kh8 1
3 "generated from HA secondary chemical shifts" 3 1 3 72 parsed_6kh8 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "1 GLY A PSI -100 -140" 4 1 4 45 parsed_6kh8 1
2 "2 ILE A PHI -52.7 -92.7" 5 1 5 46 parsed_6kh8 1
3 "2 ILE A PSI -23.4 -63.4" 6 1 6 46 parsed_6kh8 1
4 "3 VAL A PHI -42.8 -82.8" 7 1 7 46 parsed_6kh8 1
5 "3 VAL A PSI -22.5 -62.5" 8 1 8 46 parsed_6kh8 1
6 "4 GLU A PHI -43.2 -83.2" 9 1 9 46 parsed_6kh8 1
7 "4 GLU A PSI -26.7 -66.7" 10 1 10 46 parsed_6kh8 1
8 "5 GLN A PHI -48.1 -88.1" 11 1 11 46 parsed_6kh8 1
9 "5 GLN A PSI -19.1 -59.1" 12 1 12 46 parsed_6kh8 1
10 "6 CYS A PHI -49.3 -89.3" 13 1 13 46 parsed_6kh8 1
11 "6 CYS A PSI -3.6 -43.6" 14 1 14 46 parsed_6kh8 1
12 "7 CYS A PHI -84.2 -120.2" 15 1 15 47 parsed_6kh8 1
13 "7 CYS A PSI -28.5 -68.5" 16 1 16 46 parsed_6kh8 1
14 "8 ALA A PHI -43 -83" 17 1 17 44 parsed_6kh8 1
15 "8 ALA A PSI -3.5 -43.5" 18 1 18 46 parsed_6kh8 1
16 "9 SER A PHI -81.1 -121.1" 19 1 19 47 parsed_6kh8 1
17 "9 SER A PSI -82.1 -122.1" 20 1 20 47 parsed_6kh8 1
18 "10 VAL A PHI -74.6 -114.6" 21 1 21 47 parsed_6kh8 1
19 "10 VAL A PSI 151.6 111.6" 22 1 22 46 parsed_6kh8 1
20 "11 CYS A PHI -43.2 -83.2" 23 1 23 46 parsed_6kh8 1
21 "11 CYS A PSI -17.8 -57.8" 24 1 24 46 parsed_6kh8 1
22 "12 SER A PHI -51.5 -91.5" 25 1 25 46 parsed_6kh8 1
23 "12 SER A PSI 21.9 -18.1" 26 1 26 46 parsed_6kh8 1
24 "13 LEU A PHI -40.8 -80.8" 27 1 27 46 parsed_6kh8 1
25 "13 LEU A PSI -20.7 -60.7" 28 1 28 46 parsed_6kh8 1
26 "14 TYR A PHI -46.4 -86.4" 29 1 29 46 parsed_6kh8 1
27 "14 TYR A PSI -21 -61" 30 1 30 44 parsed_6kh8 1
28 "15 GLN A PHI -46.6 -86.6" 31 1 31 46 parsed_6kh8 1
29 "15 GLN A PSI -19.9 -59.9" 32 1 32 46 parsed_6kh8 1
30 "16 LEU A PHI -45.5 -85.5" 33 1 33 46 parsed_6kh8 1
31 "16 LEU A PSI -25.2 -65.2" 34 1 34 46 parsed_6kh8 1
32 "17 GLU A PHI -41.2 -81.2" 35 1 35 46 parsed_6kh8 1
33 "17 GLU A PSI -17 -57" 36 1 36 44 parsed_6kh8 1
34 "18 ASN A PHI -50.7 -90.7" 37 1 37 46 parsed_6kh8 1
35 "18 ASN A PSI -16.9 -56.9" 38 1 38 46 parsed_6kh8 1
36 "19 TYR A PHI -73.4 -113.4" 39 1 39 47 parsed_6kh8 1
37 "19 TYR A PSI 10.5 -29.5" 40 1 40 46 parsed_6kh8 1
38 "20 CYS A PHI -94.1 -134.1" 41 1 41 47 parsed_6kh8 1
39 "20 CYS A PSI -12.3 -52.3" 42 1 42 46 parsed_6kh8 1
40 "21 ASN A PHI -38.5 -78.5" 43 1 43 46 parsed_6kh8 1
41 "1 PHE B PSI -19.9 -59.9" 44 1 44 46 parsed_6kh8 1
42 "2 VAL B PHI -44.4 -84.4" 45 1 45 46 parsed_6kh8 1
43 "2 VAL B PSI -10.9 -50.9" 46 1 46 46 parsed_6kh8 1
44 "3 ASN B PHI -58.2 -98.2" 47 1 47 46 parsed_6kh8 1
45 "3 ASN B PSI -0.8 -40.8" 48 1 48 46 parsed_6kh8 1
46 "4 GLN B PHI -44.8 -84.8" 49 1 49 46 parsed_6kh8 1
47 "4 GLN B PSI 155.7 115.7" 50 1 50 46 parsed_6kh8 1
48 "5 HIS B PHI -51.8 -91.8" 51 1 51 46 parsed_6kh8 1
49 "5 HIS B PSI 154.6 114.6" 52 1 52 46 parsed_6kh8 1
50 "6 LEU B PHI -93.2 -133.2" 53 1 53 47 parsed_6kh8 1
51 "6 LEU B PSI 158.4 118.4" 54 1 54 46 parsed_6kh8 1
52 "7 CYS B PHI -59.4 -99.4" 55 1 55 46 parsed_6kh8 1
53 "7 CYS B PSI 9.3 -30.7" 56 1 56 46 parsed_6kh8 1
54 "8 GLY B PHI 73.67 33.67" 57 1 57 46 parsed_6kh8 1
55 "8 GLY B PSI -114.45 -154.45" 58 1 58 48 parsed_6kh8 1
56 "9 SER B PHI -44.5 -84.5" 59 1 59 46 parsed_6kh8 1
57 "9 SER B PSI -18.6 -58.6" 60 1 60 46 parsed_6kh8 1
58 "10 HIS B PHI -45.7 -85.7" 61 1 61 46 parsed_6kh8 1
59 "10 HIS B PSI -23.1 -63.1" 62 1 62 46 parsed_6kh8 1
60 "11 LEU B PHI -48.2 -88.2" 63 1 63 46 parsed_6kh8 1
61 "11 LEU B PSI -21.1 -61.1" 64 1 64 46 parsed_6kh8 1
62 "12 VAL B PHI -41.4 -81.4" 65 1 65 46 parsed_6kh8 1
63 "12 VAL B PSI -21.3 -61.3" 66 1 66 46 parsed_6kh8 1
64 "13 GLU B PHI -47.6 -87.6" 67 1 67 46 parsed_6kh8 1
65 "13 GLU B PSI -23.7 -63.7" 68 1 68 46 parsed_6kh8 1
66 "14 ALA B PHI -41.7 -81.7" 69 1 69 46 parsed_6kh8 1
67 "14 ALA B PSI -20.4 -60.4" 70 1 70 46 parsed_6kh8 1
68 "15 LEU B PHI -43.1 -83.1" 71 1 71 46 parsed_6kh8 1
69 "15 LEU B PSI -20.4 -60.4" 72 1 72 46 parsed_6kh8 1
70 "16 TYR B PHI -44.7 -84.7" 73 1 73 46 parsed_6kh8 1
71 "16 TYR B PSI -23 -63" 74 1 74 44 parsed_6kh8 1
72 "17 LEU B PHI -44.6 -84.6" 75 1 75 46 parsed_6kh8 1
73 "17 LEU B PSI -17 -57" 76 1 76 44 parsed_6kh8 1
74 "18 VAL B PHI -50.8 -90.8" 77 1 77 46 parsed_6kh8 1
75 "18 VAL B PSI -12.5 -52.5" 78 1 78 46 parsed_6kh8 1
76 "19 CYS B PHI -71.1 -111.1" 79 1 79 47 parsed_6kh8 1
77 "19 CYS B PSI 15.1 -24.9" 80 1 80 46 parsed_6kh8 1
78 "20 GLY B PHI 81.8 41.8" 81 1 81 45 parsed_6kh8 1
79 "20 GLY B PSI 39.7 -0.3" 82 1 82 45 parsed_6kh8 1
80 "21 GLU B PHI -39.8 -79.8" 83 1 83 46 parsed_6kh8 1
81 "21 GLU B PSI 157.8 117.8" 84 1 84 46 parsed_6kh8 1
82 "22 ARG B PHI -48.4 -88.4" 85 1 85 46 parsed_6kh8 1
83 "22 ARG B PSI -7.7 -47.7" 86 1 86 46 parsed_6kh8 1
84 "23 GLY B PHI -44.2 -84.2" 87 1 87 46 parsed_6kh8 1
85 "23 GLY B PSI -19.9 -59.9" 88 1 88 46 parsed_6kh8 1
86 "24 PHE B PHI -45.5 -85.5" 89 1 89 46 parsed_6kh8 1
87 "24 PHE B PSI 154.1 114.1" 90 1 90 46 parsed_6kh8 1
88 "25 PHE B PHI -75.9 -115.9" 91 1 91 47 parsed_6kh8 1
89 "25 PHE B PSI 20.2 -19.8" 92 1 92 46 parsed_6kh8 1
90 "26 TYR B PHI -66.6 -106.6" 93 1 93 47 parsed_6kh8 1
91 "26 TYR B PSI 158.7 118.7" 94 1 94 46 parsed_6kh8 1
92 "27 THR B PHI -57.1 -97.1" 95 1 95 46 parsed_6kh8 1
93 "27 THR B PSI 168 128" 96 1 96 44 parsed_6kh8 1
94 "28 PRO B PHI -56.19 -96.19" 97 1 97 47 parsed_6kh8 1
95 "28 PRO B PSI 2.42 -37.58" 98 1 98 47 parsed_6kh8 1
96 "29 LYS B PHI -73.4 -113.4" 99 1 99 47 parsed_6kh8 1
97 "29 LYS B PSI 44.77 4.77" 100 1 100 45 parsed_6kh8 1
98
;
30 ALA B PHI -100 -140
;
101 1 102 1 parsed_6kh8 1
stop_
save_
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