NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
521545 |
2lar   |
17535 | cing | 2-parsed | STAR | dipolar coupling | 45 |
data_2lar_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lar
_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_2lar 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lar
_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 2lar "Master copy" parsed_2lar
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lar
_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 2lar.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lar 1
1 2lar.mr . . AMBER 2 distance NOE simple 228 parsed_2lar 1
1 2lar.mr . . AMBER 3 "dihedral angle" "Not applicable" "Not applicable" 80 parsed_2lar 1
1 2lar.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_2lar 1
1 2lar.mr . . AMBER 5 unknown "Not applicable" "Not applicable" 0 parsed_2lar 1
1 2lar.mr . . AMBER 6 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_2lar 1
1 2lar.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lar 1
stop_
save_
save_AMBER_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lar
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . . -1.40 -1.40 . . 2lar_ambr001 1 ADE C1' 2lar_ambr001 1 ADE H1' parsed_2lar 1
2 . . . . . . . . . . . . . . . . . 1.30 1.30 . . 2lar_ambr001 2 THY C1' 2lar_ambr001 2 THY H1' parsed_2lar 1
3 . . . . . . . . . . . . . . . . . 0.70 5.50 . . 2lar_ambr001 3 GUA C1' 2lar_ambr001 3 GUA H1' parsed_2lar 1
4 . . . . . . . . . . . . . . . . . -2.90 -2.90 . . 2lar_ambr001 4 GUA C1' 2lar_ambr001 4 GUA H1' parsed_2lar 1
5 . . . . . . . . . . . . . . . . . 0.80 0.80 . . 2lar_ambr001 5 THY C1' 2lar_ambr001 5 THY H1' parsed_2lar 1
6 . . . . . . . . . . . . . . . . . 5.50 5.50 . . 2lar_ambr001 6 BGR C1' 2lar_ambr001 6 BGR H1' parsed_2lar 1
7 . . . . . . . . . . . . . . . . . 4.20 4.20 . . 2lar_ambr001 7 CYT C1' 2lar_ambr001 7 CYT H1' parsed_2lar 1
8 . . . . . . . . . . . . . . . . . 5.20 5.20 . . 2lar_ambr001 8 THY C1' 2lar_ambr001 8 THY H1' parsed_2lar 1
9 . . . . . . . . . . . . . . . . . 0.10 0.10 . . 2lar_ambr001 9 CYT C1' 2lar_ambr001 9 CYT H1' parsed_2lar 1
10 . . . . . . . . . . . . . . . . . -6.30 -6.30 . . 2lar_ambr002 1 GUA C1' 2lar_ambr002 1 GUA H1' parsed_2lar 1
11 . . . . . . . . . . . . . . . . . -11.8 -11.8 . . 2lar_ambr002 2 ADE C1' 2lar_ambr002 2 ADE H1' parsed_2lar 1
12 . . . . . . . . . . . . . . . . . -10.4 -10.4 . . 2lar_ambr002 3 GUA C1' 2lar_ambr002 3 GUA H1' parsed_2lar 1
13 . . . . . . . . . . . . . . . . . -4.50 -4.50 . . 2lar_ambr002 4 CYT C1' 2lar_ambr002 4 CYT H1' parsed_2lar 1
14 . . . . . . . . . . . . . . . . . 1.5 1.5 . . 2lar_ambr002 5 ADE C1' 2lar_ambr002 5 ADE H1' parsed_2lar 1
15 . . . . . . . . . . . . . . . . . 4.10 4.10 . . 2lar_ambr002 6 CYT C1' 2lar_ambr002 6 CYT H1' parsed_2lar 1
16 . . . . . . . . . . . . . . . . . 6.40 6.40 . . 2lar_ambr002 7 CYT C1' 2lar_ambr002 7 CYT H1' parsed_2lar 1
17 . . . . . . . . . . . . . . . . . 4.20 4.20 . . 2lar_ambr002 8 ADE C1' 2lar_ambr002 8 ADE H1' parsed_2lar 1
18 . . . . . . . . . . . . . . . . . 1.00 1.00 . . 2lar_ambr002 9 URA C1' 2lar_ambr002 9 URA H1' parsed_2lar 1
19 . . . . . . . . . . . . . . . . . 5.20 5.20 . . 2lar_ambr001 1 ADE C8 2lar_ambr001 1 ADE H8 parsed_2lar 1
20 . . . . . . . . . . . . . . . . . 2.40 2.40 . . 2lar_ambr001 2 THY C6 2lar_ambr001 2 THY H6 parsed_2lar 1
21 . . . . . . . . . . . . . . . . . 1.80 1.80 . . 2lar_ambr001 3 GUA C8 2lar_ambr001 3 GUA H8 parsed_2lar 1
22 . . . . . . . . . . . . . . . . . 3.30 3.30 . . 2lar_ambr001 4 GUA C8 2lar_ambr001 4 GUA H8 parsed_2lar 1
23 . . . . . . . . . . . . . . . . . 9.90 9.90 . . 2lar_ambr001 5 THY C6 2lar_ambr001 5 THY H6 parsed_2lar 1
24 . . . . . . . . . . . . . . . . . 9.80 9.80 . . 2lar_ambr001 6 BGR C8 2lar_ambr001 6 BGR H8 parsed_2lar 1
25 . . . . . . . . . . . . . . . . . 6.00 6.00 . . 2lar_ambr001 7 CYT C6 2lar_ambr001 7 CYT H6 parsed_2lar 1
26 . . . . . . . . . . . . . . . . . 1.90 1.90 . . 2lar_ambr001 8 THY C6 2lar_ambr001 8 THY H6 parsed_2lar 1
27 . . . . . . . . . . . . . . . . . 5.50 5.50 . . 2lar_ambr001 9 CYT C6 2lar_ambr001 9 CYT H6 parsed_2lar 1
28 . . . . . . . . . . . . . . . . . 2.40 2.40 . . 2lar_ambr002 1 GUA C8 2lar_ambr002 1 GUA H8 parsed_2lar 1
29 . . . . . . . . . . . . . . . . . 5.20 5.20 . . 2lar_ambr002 2 ADE C8 2lar_ambr002 2 ADE H8 parsed_2lar 1
30 . . . . . . . . . . . . . . . . . 2.70 2.70 . . 2lar_ambr002 3 GUA C8 2lar_ambr002 3 GUA H8 parsed_2lar 1
31 . . . . . . . . . . . . . . . . . 9.50 9.50 . . 2lar_ambr002 4 CYT C6 2lar_ambr002 4 CYT H6 parsed_2lar 1
32 . . . . . . . . . . . . . . . . . 6.50 6.50 . . 2lar_ambr002 5 ADE C8 2lar_ambr002 5 ADE H8 parsed_2lar 1
33 . . . . . . . . . . . . . . . . . 5.90 5.90 . . 2lar_ambr002 6 CYT C6 2lar_ambr002 6 CYT H6 parsed_2lar 1
34 . . . . . . . . . . . . . . . . . 3.80 3.80 . . 2lar_ambr002 7 CYT C6 2lar_ambr002 7 CYT H6 parsed_2lar 1
35 . . . . . . . . . . . . . . . . . 3.10 3.10 . . 2lar_ambr002 8 ADE C8 2lar_ambr002 8 ADE H8 parsed_2lar 1
36 . . . . . . . . . . . . . . . . . 3.40 3.40 . . 2lar_ambr002 9 URA C6 2lar_ambr002 9 URA H6 parsed_2lar 1
37 . . . . . . . . . . . . . . . . . 6.20 6.20 . . 2lar_ambr001 1 ADE C2 2lar_ambr001 1 ADE H2 parsed_2lar 1
38 . . . . . . . . . . . . . . . . . 1.40 1.40 . . 2lar_ambr002 2 ADE C2 2lar_ambr002 2 ADE H2 parsed_2lar 1
39 . . . . . . . . . . . . . . . . . 7.50 7.50 . . 2lar_ambr002 5 ADE C2 2lar_ambr002 5 ADE H2 parsed_2lar 1
40 . . . . . . . . . . . . . . . . . 3.80 3.80 . . 2lar_ambr002 8 ADE C2 2lar_ambr002 8 ADE H2 parsed_2lar 1
41 . . . . . . . . . . . . . . . . . 6.80 8.80 . . 2lar_ambr001 7 CYT C5 2lar_ambr001 7 CYT H5 parsed_2lar 1
42 . . . . . . . . . . . . . . . . . 3.50 5.50 . . 2lar_ambr001 9 CYT C5 2lar_ambr001 9 CYT H5 parsed_2lar 1
43 . . . . . . . . . . . . . . . . . -0.30 1.70 . . 2lar_ambr002 4 CYT C5 2lar_ambr002 4 CYT H5 parsed_2lar 1
44 . . . . . . . . . . . . . . . . . 9.70 11.70 . . 2lar_ambr002 6 CYT C5 2lar_ambr002 6 CYT H5 parsed_2lar 1
45 . . . . . . . . . . . . . . . . . 9.80 11.80 . . 2lar_ambr002 7 CYT C5 2lar_ambr002 7 CYT H5 parsed_2lar 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
;
&align
ndip=45, dcut=0.0, freezemol=True,
s11=20.006, s22=3.184, s12=17.965, s13=3.181, s23=-0.072,
;
1 2 3 60 parsed_2lar 1
2 "(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000," 4 64 4 106 parsed_2lar 1
3 "(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000," 5 63 5 105 parsed_2lar 1
4 "(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000," 6 63 6 105 parsed_2lar 1
5 "(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000," 7 67 7 109 parsed_2lar 1
6 "(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000," 8 65 8 107 parsed_2lar 1
7 "(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000," 9 65 9 107 parsed_2lar 1
8 "(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000," 10 65 10 107 parsed_2lar 1
9 "(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000," 11 65 11 107 parsed_2lar 1
10 "(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000," 12 65 12 107 parsed_2lar 1
11 "(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000," 13 71 13 116 parsed_2lar 1
12 "(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000," 14 71 14 116 parsed_2lar 1
13 "(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000," 15 71 15 116 parsed_2lar 1
14 "(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000," 16 71 16 116 parsed_2lar 1
15 "(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000," 17 67 17 112 parsed_2lar 1
16 "(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000," 18 69 18 114 parsed_2lar 1
17 "(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000," 19 69 19 114 parsed_2lar 1
18 "(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000," 20 69 20 114 parsed_2lar 1
19 "(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000," 21 69 21 114 parsed_2lar 1
20 "(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000," 22 67 22 112 parsed_2lar 1
21 "(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000," 23 67 23 112 parsed_2lar 1
22 "(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000," 24 67 24 112 parsed_2lar 1
23 "(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000," 25 69 25 114 parsed_2lar 1
24 "(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000," 26 69 26 114 parsed_2lar 1
25 "(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000," 27 69 27 114 parsed_2lar 1
26 "(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000," 28 69 28 114 parsed_2lar 1
27 "(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000," 29 69 29 114 parsed_2lar 1
28 "(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000," 30 69 30 114 parsed_2lar 1
29 "(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000," 31 69 31 114 parsed_2lar 1
30 "(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000," 32 69 32 114 parsed_2lar 1
31 "(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000," 33 69 33 114 parsed_2lar 1
32 "(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000," 34 69 34 114 parsed_2lar 1
33 "(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000," 35 69 35 114 parsed_2lar 1
34 "(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000," 36 69 36 114 parsed_2lar 1
35 "(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000," 37 69 37 114 parsed_2lar 1
36 "(35)= 7.84665, dij(35)= 1.09, dwt(35)=1.00000," 38 69 38 114 parsed_2lar 1
37 "(36)= 7.84665, dij(36)= 1.09, dwt(36)=1.00000," 39 69 39 114 parsed_2lar 1
38 "(37)= 7.84665, dij(37)= 1.09, dwt(37)=1.00000," 40 68 40 113 parsed_2lar 1
39 "(38)= 7.84665, dij(38)= 1.09, dwt(38)=1.00000," 41 69 41 114 parsed_2lar 1
40 "(39)= 7.84665, dij(39)= 1.09, dwt(39)=1.00000," 42 69 42 114 parsed_2lar 1
41 "(40)= 7.84665, dij(40)= 1.09, dwt(40)=1.00000," 43 69 43 114 parsed_2lar 1
42 "(41)= 7.84665, dij(41)= 1.09, dwt(41)=1.00000," 44 69 44 114 parsed_2lar 1
43 "(42)= 7.84665, dij(42)= 1.09, dwt(42)=1.00000," 45 69 45 114 parsed_2lar 1
44 "(43)= 7.84665, dij(43)= 1.09, dwt(43)=1.00000," 46 70 46 115 parsed_2lar 1
45 "(44)= 7.84665, dij(44)= 1.09, dwt(44)=1.00000," 47 70 47 115 parsed_2lar 1
46
;
(45)= 7.84665, dij(45)= 1.09, dwt(45)=1.00000,
/
;
48 70 50 3 parsed_2lar 1
stop_
save_
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