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 |
|
|
572714 |
2mk3   |
19750 | cing | 2-parsed | STAR | dipolar coupling |
data_2mk3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mk3
_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_2mk3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mk3
_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 2mk3 "Master copy" parsed_2mk3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mk3
_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 2mk3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mk3 1
1 2mk3.mr . . XPLOR/CNS 2 distance NOE simple 466 parsed_2mk3 1
1 2mk3.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2mk3 1
1 2mk3.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mk3 1
1 2mk3.mr . . unknown 5 unknown "Not applicable" "Not applicable" 0 parsed_2mk3 1
1 2mk3.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mk3 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mk3
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! RDC
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! NH
;
1 1 7 6 parsed_2mk3 1
2 "! CCa" 54 1 54 7 parsed_2mk3 1
3 "!! CN" 99 1 99 7 parsed_2mk3 1
4 "!! CHN" 139 1 139 8 parsed_2mk3 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
5 GLN N 5 GLN HN -2.29
6 GLN N 6 GLN HN 10.40
7 GLN N 7 GLN HN -3.56
10 LEU N 10 LEU HN -12.87
11 LEU N 11 LEU HN -12.58
13 ALA N 13 ALA HN -5.44
15 GLU N 15 GLU HN -22.4
16 ALA N 16 ALA HN -10.26
17 GLN N 17 GLN HN 5.87
18 GLN N 18 GLN HN -13.04
19 HIS N 19 HIS HN -12.01
20 LEU N 20 LEU HN -21.68
21 LEU N 21 LEU HN -6.48
22 GLN N 22 GLN HN -7.84
24 THR N 24 THR HN -16.22
25 VAL N 25 VAL HN -3.98
28 ILE N 28 ILE HN -11.75
30 GLN N 30 GLN HN -16.99
31 LEU N 31 LEU HN -14.88
32 GLN N 32 GLN HN -16.56
33 ALA N 33 ALA HN -9.06
34 ARG N 34 ARG HN -14.15
41 TRP N 41 TRP HN 5.83
43 GLU N 43 GLU HN -9.32
44 TRP N 44 TRP HN 7.67
45 ASP N 45 ASP HN -16.58
46 ARG N 46 ARG HN 5.61
47 GLU N 47 GLU HN -3.19
48 ILE N 48 ILE HN -11.2
49 ASN N 49 ASN HN -17.17
50 ASN N 50 ASN HN -11.21
51 TYR N 51 TYR HN -8.65
53 SER N 53 SER HN -15.69
54 LEU N 54 LEU HN -4.31
56 HIS N 56 HIS HN -16.78
57 SER N 57 SER HN -7.05
58 LEU N 58 LEU HN -5.28
59 ILE N 59 ILE HN -14.62
60 GLU N 60 GLU HN -12.99
62 SER N 62 SER HN -4.66
63 GLN N 63 GLN HN -13.35
64 ASN N 64 ASN HN 1.116
65 GLN N 65 GLN HN 3.66
!! CCa
2 GLY CA 2 GLY C -1.13
3 ILE CA 3 ILE C 4.448
4 VAL CA 4 VAL C -3.275
5 GLN CA 5 GLN C -1.781
6 GLN CA 6 GLN C -0.483
7 GLN CA 7 GLN C 5.005
8 ASN CA 8 ASN C -4.305
9 ASN CA 9 ASN C -1.25
10 LEU CA 10 LEU C 3.612
12 ARG CA 12 ARG C -3.235
13 ALA CA 13 ALA C -1.218
16 ALA CA 16 ALA C -1.867
17 GLN CA 17 GLN C -0.17
18 GLN CA 18 GLN C -3.489
20 LEU CA 20 LEU C -1.535
21 LEU CA 21 LEU C -3.081
24 THR CA 24 THR C -3.065
28 ILE CA 28 ILE C -3.121
31 LEU CA 31 LEU C -1.465
32 GLN CA 32 GLN C -2.618
33 ALA CA 33 ALA C -1.389
34 ARG CA 34 ARG C -0.325
42 MET CA 42 MET C -1.408
43 GLU CA 43 GLU C -3.201
44 TRP CA 44 TRP C 0.531
45 ASP CA 45 ASP C 2.515
46 ARG CA 46 ARG C -1.81
47 GLU CA 47 GLU C -3.211
48 ILE CA 48 ILE C 2.283
50 ASN CA 50 ASN C -1.448
52 THR CA 52 THR C 1.608
53 SER CA 53 SER C -1.24
55 ILE CA 55 ILE C 0.785
56 HIS CA 56 HIS C 0.883
57 SER CA 57 SER C -0.895
58 LEU CA 58 LEU C -3.051
59 ILE CA 59 ILE C 3.198
60 GLU CA 60 GLU C -0.069
61 GLU CA 61 GLU C -0.889
62 SER CA 62 SER C -3.025
63 GLN CA 63 GLN C 4.125
!!! CN
2 GLY C 3 ILE N -2.412
4 VAL C 5 GLN N -1.255
5 GLN C 6 GLN N 3.148
6 GLN C 7 GLN N -2.785
7 GLN C 8 ASN N 0.335
8 ASN C 9 ASN N 0.722
9 ASN C 10 LEU N 0.005
10 LEU C 11 LEU N -0.385
12 ARG C 13 ALA N 3.425
13 ALA C 14 ILE N -1.325
15 GLU C 16 ALA N 0.489
16 ALA C 17 GLN N -1.01
18 GLN C 19 HIS N -0.768
19 HIS C 20 LEU N 2.375
20 LEU C 21 LEU N -0.305
26 TRP C 27 GLY N 0.354
27 GLY C 28 ILE N -0.25
29 LYS C 30 GLN N 0.341
32 GLN C 33 ALA N 3.455
33 ALA C 34 ARG N -1.158
42 MET C 43 GLU N 0.99
43 GLU C 44 TRP N 1.99
44 TRP C 45 ASP N 0.505
46 ARG C 47 GLU N 2.011
48 ILE C 49 ASN N 1.653
50 ASN C 51 TYR N 1.807
51 TYR C 52 THR N 1.283
52 THR C 53 SER N -0.101
53 SER C 54 LEU N 1.503
55 ILE C 56 HIS N 1.223
56 HIS C 57 SER N -1.201
57 SER C 58 LEU N 2.926
61 GLU C 62 SER N 2.855
62 SER C 63 GLN N -0.851
63 GLN C 64 ASN N -0.846
64 ASN C 65 GLN N 1.311
!!! CHN
2 GLY C 3 ILE HN -6.98
4 VAL C 5 GLN HN -0.812
5 GLN C 6 GLN HN 8.745
6 GLN C 7 GLN HN -6.03
7 GLN C 8 ASN HN -1.808
8 ASN C 9 ASN HN 6.893
9 ASN C 10 LEU HN -1.679
10 LEU C 11 LEU HN -4.33
12 ARG C 13 ALA HN 7.248
13 ALA C 14 ILE HN -6.043
15 GLU C 16 ALA HN 0.478
16 ALA C 17 GLN HN 0.233
18 GLN C 19 HIS HN -1.865
19 HIS C 20 LEU HN -0.313
20 LEU C 21 LEU HN -0.965
26 TRP C 27 GLY HN -3.431
27 GLY C 28 ILE HN -3.053
29 LYS C 30 GLN HN -1.528
32 GLN C 33 ALA HN 6.333
33 ALA C 34 ARG HN -3.926
42 MET C 43 GLU HN -0.941
43 GLU C 44 TRP HN 6.699
44 TRP C 45 ASP HN -2.322
46 ARG C 47 GLU HN 4.271
48 ILE C 49 ASN HN -1.181
50 ASN C 51 TYR HN 2.632
51 TYR C 52 THR HN 1.051
52 THR C 53 SER HN -3.681
53 SER C 54 LEU HN 2.788
55 ILE C 56 HIS HN -1.01
56 HIS C 57 SER HN -4.107
57 SER C 58 LEU HN 5.171
61 GLU C 62 SER HN 5.031
62 SER C 63 GLN HN -2.558
63 GLN C 64 ASN HN -3.62
64 ASN C 65 GLN HN 3.655
;
9 2 176 36 parsed_2mk3 1
stop_
save_
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