NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
281661 |
2kt8   |
16688 | cing | 2-parsed | STAR | dihedral angle | 50 |
data_2kt8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kt8
_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_2kt8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kt8
_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 2kt8 "Master copy" parsed_2kt8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kt8
_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 2kt8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kt8 1
1 2kt8.mr . . XPLOR/CNS 2 distance NOE simple 822 parsed_2kt8 1
1 2kt8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2kt8 1
1 2kt8.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2kt8 1
1 2kt8.mr . . SPARKY 5 peak "Not applicable" "Not applicable" 0 parsed_2kt8 1
1 2kt8.mr . . SPARKY 6 peak "Not applicable" "Not applicable" 0 parsed_2kt8 1
1 2kt8.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kt8 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kt8
_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_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.24 -87.24 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2kt8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.34 166.34 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2kt8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.26 -103.26 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2kt8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.18 174.18 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2kt8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.53 -51.53 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2kt8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.43 149.43 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2kt8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.18 -92.18 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2kt8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.11 172.11 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2kt8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.03 -64.03 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2kt8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.84 152.84 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2kt8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.03 -73.03 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2kt8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.24 158.24 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2kt8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.46 -77.46 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2kt8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.97 182.97 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2kt8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.35 -110.35 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2kt8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.96 172.96 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2kt8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.13 -108.13 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2kt8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.39 185.39 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2kt8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.25 -50.25 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2kt8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.11 159.11 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2kt8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.44 -69.44 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2kt8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.16 164.16 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2kt8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.76 -98.76 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2kt8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.95 180.95 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2kt8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.96 -57.96 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2kt8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.4 152.4 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2kt8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.34 -100.34 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2kt8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.32 167.32 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2kt8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.05 -99.05 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2kt8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.72 151.72 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2kt8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.99 -90.99 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2kt8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.08 169.08 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2kt8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.57 -98.57 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2kt8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.12 191.12 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2kt8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.22 -72.22 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2kt8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.48 160.48 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2kt8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.98 -95.98 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_2kt8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.65 187.65 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_2kt8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.68 -27.68 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2kt8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.69 -7.69 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2kt8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.98 -39.98 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2kt8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.83 16.17 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2kt8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.98 -76.98 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2kt8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.85 157.85 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2kt8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.19 -90.19 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2kt8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.95 193.95 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2kt8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.01 -82.01 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2kt8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.96 167.96 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2kt8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.39 -57.39 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2kt8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.53 165.53 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2kt8 1
stop_
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 "PHI for LYS 3" 1 1 1 16 parsed_2kt8 1
2 "PSI for LYS 3" 5 1 5 16 parsed_2kt8 1
3 "PHI for THR 4" 9 1 9 16 parsed_2kt8 1
4 "PSI for THR 4" 13 1 13 16 parsed_2kt8 1
5 "PHI for VAL 7" 17 1 17 16 parsed_2kt8 1
6 "PSI for VAL 7" 21 1 21 16 parsed_2kt8 1
7 "PHI for LEU 13" 25 1 25 17 parsed_2kt8 1
8 "PSI for LEU 13" 29 1 29 17 parsed_2kt8 1
9 "PHI for ASN 14" 33 1 33 17 parsed_2kt8 1
10 "PSI for ASN 14" 37 1 37 17 parsed_2kt8 1
11 "PHI for VAL 15" 41 1 41 17 parsed_2kt8 1
12 "PSI for VAL 15" 45 1 45 17 parsed_2kt8 1
13 "PHI for ARG 16" 49 1 49 17 parsed_2kt8 1
14 "PSI for ARG 16" 53 1 53 17 parsed_2kt8 1
15 "PHI for SER 28" 57 1 57 17 parsed_2kt8 1
16 "PSI for SER 28" 61 1 61 17 parsed_2kt8 1
17 "PHI for LEU 29" 65 1 65 17 parsed_2kt8 1
18 "PSI for LEU 29" 69 1 69 17 parsed_2kt8 1
19 "PHI for THR 33" 73 1 73 17 parsed_2kt8 1
20 "PSI for THR 33" 77 1 77 17 parsed_2kt8 1
21 "PHI for LYS 34" 81 1 81 17 parsed_2kt8 1
22 "PSI for LYS 34" 85 1 85 17 parsed_2kt8 1
23 "PHI for VAL 35" 89 1 89 17 parsed_2kt8 1
24 "PSI for VAL 35" 93 1 93 17 parsed_2kt8 1
25 "PHI for THR 36" 97 1 97 17 parsed_2kt8 1
26 "PSI for THR 36" 101 1 101 17 parsed_2kt8 1
27 "PHI for GLU 40" 105 1 105 17 parsed_2kt8 1
28 "PSI for GLU 40" 109 1 109 17 parsed_2kt8 1
29 "PHI for GLU 41" 113 1 113 17 parsed_2kt8 1
30 "PSI for GLU 41" 117 1 117 17 parsed_2kt8 1
31 "PHI for LYS 46" 121 1 121 17 parsed_2kt8 1
32 "PSI for LYS 46" 125 1 125 17 parsed_2kt8 1
33 "PHI for ILE 47" 129 1 129 17 parsed_2kt8 1
34 "PSI for ILE 47" 133 1 133 17 parsed_2kt8 1
35 "PHI for TYR 49" 137 1 137 17 parsed_2kt8 1
36 "PSI for TYR 49" 141 1 141 17 parsed_2kt8 1
37 "PHI for VAL 56" 145 1 145 17 parsed_2kt8 1
38 "PSI for VAL 56" 149 1 149 17 parsed_2kt8 1
39 "PHI for LYS 58" 153 1 153 17 parsed_2kt8 1
40 "PSI for LYS 58" 157 1 157 17 parsed_2kt8 1
41 "PHI for GLU 59" 161 1 161 17 parsed_2kt8 1
42 "PSI for GLU 59" 165 1 165 17 parsed_2kt8 1
43 "PHI for ILE 61" 169 1 169 17 parsed_2kt8 1
44 "PSI for ILE 61" 173 1 173 17 parsed_2kt8 1
45 "PHI for LYS 62" 177 1 177 17 parsed_2kt8 1
46 "PSI for LYS 62" 181 1 181 17 parsed_2kt8 1
47 "PHI for LYS 65" 185 1 185 17 parsed_2kt8 1
48 "PSI for LYS 65" 189 1 189 17 parsed_2kt8 1
49 "PHI for ASP 66" 193 1 193 17 parsed_2kt8 1
50 "PSI for ASP 66" 197 1 197 17 parsed_2kt8 1
stop_
save_
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