NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
563988 |
2m0z   |
18833 | cing | 2-parsed | STAR | dipolar coupling | 144 |
data_2m0z_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m0z
_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_2m0z 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m0z
_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 2m0z "Master copy" parsed_2m0z
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m0z
_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 2m0z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m0z 1
1 2m0z.mr . . DYANA/DIANA 2 distance "general distance" simple 2 parsed_2m0z 1
1 2m0z.mr . . DYANA/DIANA 3 distance NOE simple 870 parsed_2m0z 1
1 2m0z.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 146 parsed_2m0z 1
1 2m0z.mr . . "MR format" 5 comment "Not applicable" "Not applicable" 0 parsed_2m0z 1
1 2m0z.mr . . DYANA/DIANA 6 "dipolar coupling" "Not applicable" "Not applicable" 144 parsed_2m0z 1
1 2m0z.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m0z 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2m0z
_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 . . . . . . . . . . . . . . . . -2.84 . . 0.501 . . 3 LYS H . 3 LYS N parsed_2m0z 1
2 . . . . . . . . . . . . . . . . -2.16 . . 0.501 . . 5 GLY H . 5 GLY N parsed_2m0z 1
3 . . . . . . . . . . . . . . . . -9.59 . . 0.501 . . 6 ASP H . 6 ASP N parsed_2m0z 1
4 . . . . . . . . . . . . . . . . 5.51 . . 0.501 . . 7 ILE H . 7 ILE N parsed_2m0z 1
5 . . . . . . . . . . . . . . . . 19.55 . . 0.501 . . 8 PHE H . 8 PHE N parsed_2m0z 1
6 . . . . . . . . . . . . . . . . 16.60 . . 0.501 . . 9 GLU H . 9 GLU N parsed_2m0z 1
7 . . . . . . . . . . . . . . . . 1.99 . . 0.501 . . 10 VAL H . 10 VAL N parsed_2m0z 1
8 . . . . . . . . . . . . . . . . 4.59 . . 0.501 . . 11 GLU H . 11 GLU N parsed_2m0z 1
9 . . . . . . . . . . . . . . . . -5.21 . . 0.501 . . 13 ALA H . 13 ALA N parsed_2m0z 1
10 . . . . . . . . . . . . . . . . -7.77 . . 0.501 . . 14 LYS H . 14 LYS N parsed_2m0z 1
11 . . . . . . . . . . . . . . . . 3.98 . . 0.501 . . 15 ASN H . 15 ASN N parsed_2m0z 1
12 . . . . . . . . . . . . . . . . -7.60 . . 0.501 . . 18 SER H . 18 SER N parsed_2m0z 1
13 . . . . . . . . . . . . . . . . 2.59 . . 0.501 . . 20 GLY H . 20 GLY N parsed_2m0z 1
14 . . . . . . . . . . . . . . . . -5.04 . . 0.501 . . 21 ILE H . 21 ILE N parsed_2m0z 1
15 . . . . . . . . . . . . . . . . -10.83 . . 0.501 . . 22 CYAZ H . 22 CYAZ N parsed_2m0z 1
16 . . . . . . . . . . . . . . . . 16.39 . . 0.501 . . 24 THR H . 24 THR N parsed_2m0z 1
17 . . . . . . . . . . . . . . . . 23.16 . . 0.501 . . 25 GLY H . 25 GLY N parsed_2m0z 1
18 . . . . . . . . . . . . . . . . 7.33 . . 0.501 . . 26 GLY H . 26 GLY N parsed_2m0z 1
19 . . . . . . . . . . . . . . . . 5.22 . . 0.501 . . 27 VAL H . 27 VAL N parsed_2m0z 1
20 . . . . . . . . . . . . . . . . 16.75 . . 0.501 . . 29 THR H . 29 THR N parsed_2m0z 1
21 . . . . . . . . . . . . . . . . -4.52 . . 0.501 . . 31 VAL H . 31 VAL N parsed_2m0z 1
22 . . . . . . . . . . . . . . . . -9.19 . . 0.501 . . 32 ARG H . 32 ARG N parsed_2m0z 1
23 . . . . . . . . . . . . . . . . 2.19 . . 0.501 . . 34 GLY H . 34 GLY N parsed_2m0z 1
24 . . . . . . . . . . . . . . . . -3.48 . . 0.501 . . 35 GLY H . 35 GLY N parsed_2m0z 1
25 . . . . . . . . . . . . . . . . 15.32 . . 0.501 . . 38 VAL H . 38 VAL N parsed_2m0z 1
26 . . . . . . . . . . . . . . . . -4.68 . . 0.501 . . 40 ALA H . 40 ALA N parsed_2m0z 1
27 . . . . . . . . . . . . . . . . -4.82 . . 0.501 . . 41 VAL H . 41 VAL N parsed_2m0z 1
28 . . . . . . . . . . . . . . . . -9.21 . . 0.501 . . 42 ILE H . 42 ILE N parsed_2m0z 1
29 . . . . . . . . . . . . . . . . 0.00 . . 0.501 . . 44 GLN H . 44 GLN N parsed_2m0z 1
30 . . . . . . . . . . . . . . . . -0.28 . . 0.501 . . 45 GLY H . 45 GLY N parsed_2m0z 1
31 . . . . . . . . . . . . . . . . 4.96 . . 0.501 . . 46 ALA H . 46 ALA N parsed_2m0z 1
32 . . . . . . . . . . . . . . . . 13.89 . . 0.501 . . 48 GLU H . 48 GLU N parsed_2m0z 1
33 . . . . . . . . . . . . . . . . 4.19 . . 0.501 . . 49 SER H . 49 SER N parsed_2m0z 1
34 . . . . . . . . . . . . . . . . 11.88 . . 0.501 . . 50 ASP H . 50 ASP N parsed_2m0z 1
35 . . . . . . . . . . . . . . . . 14.96 . . 0.501 . . 51 GLY H . 51 GLY N parsed_2m0z 1
36 . . . . . . . . . . . . . . . . -4.47 . . 0.501 . . 52 ARG H . 52 ARG N parsed_2m0z 1
37 . . . . . . . . . . . . . . . . -5.85 . . 0.501 . . 53 ILE H . 53 ILE N parsed_2m0z 1
38 . . . . . . . . . . . . . . . . -15.94 . . 0.501 . . 55 LYS H . 55 LYS N parsed_2m0z 1
39 . . . . . . . . . . . . . . . . 2.34 . . 0.501 . . 56 GLY H . 56 GLY N parsed_2m0z 1
40 . . . . . . . . . . . . . . . . 8.54 . . 0.501 . . 60 LEU H . 60 LEU N parsed_2m0z 1
41 . . . . . . . . . . . . . . . . -0.67 . . 0.501 . . 61 ALA H . 61 ALA N parsed_2m0z 1
42 . . . . . . . . . . . . . . . . -19.68 . . 0.501 . . 62 VAL H . 62 VAL N parsed_2m0z 1
43 . . . . . . . . . . . . . . . . -8.83 . . 0.501 . . 63 ASN H . 63 ASN N parsed_2m0z 1
44 . . . . . . . . . . . . . . . . -7.82 . . 0.501 . . 64 GLY H . 64 GLY N parsed_2m0z 1
45 . . . . . . . . . . . . . . . . -17.61 . . 0.501 . . 65 VAL H . 65 VAL N parsed_2m0z 1
46 . . . . . . . . . . . . . . . . -10.89 . . 0.501 . . 66 SER H . 66 SER N parsed_2m0z 1
47 . . . . . . . . . . . . . . . . 4.62 . . 0.501 . . 67 LEU H . 67 LEU N parsed_2m0z 1
48 . . . . . . . . . . . . . . . . -7.43 . . 0.501 . . 69 GLY H . 69 GLY N parsed_2m0z 1
49 . . . . . . . . . . . . . . . . 17.50 . . 0.501 . . 70 ALA H . 70 ALA N parsed_2m0z 1
50 . . . . . . . . . . . . . . . . -5.20 . . 0.501 . . 71 THR H . 71 THR N parsed_2m0z 1
51 . . . . . . . . . . . . . . . . 7.92 . . 0.501 . . 72 HIS H . 72 HIS N parsed_2m0z 1
52 . . . . . . . . . . . . . . . . 5.31 . . 0.501 . . 73 LYS H . 73 LYS N parsed_2m0z 1
53 . . . . . . . . . . . . . . . . -9.57 . . 0.501 . . 74 GLN H . 74 GLN N parsed_2m0z 1
54 . . . . . . . . . . . . . . . . 10.89 . . 0.501 . . 76 VAL H . 76 VAL N parsed_2m0z 1
55 . . . . . . . . . . . . . . . . -5.32 . . 0.501 . . 77 CYAZ H . 77 CYAZ N parsed_2m0z 1
56 . . . . . . . . . . . . . . . . 0.69 . . 0.501 . . 78 THR H . 78 THR N parsed_2m0z 1
57 . . . . . . . . . . . . . . . . -0.65 . . 0.501 . . 80 ARG H . 80 ARG N parsed_2m0z 1
58 . . . . . . . . . . . . . . . . -2.96 . . 0.501 . . 82 THR H . 82 THR N parsed_2m0z 1
59 . . . . . . . . . . . . . . . . -2.62 . . 0.501 . . 83 GLY H . 83 GLY N parsed_2m0z 1
60 . . . . . . . . . . . . . . . . -9.76 . . 0.501 . . 85 VAL H . 85 VAL N parsed_2m0z 1
61 . . . . . . . . . . . . . . . . -9.71 . . 0.501 . . 86 VAL H . 86 VAL N parsed_2m0z 1
62 . . . . . . . . . . . . . . . . -5.77 . . 0.501 . . 87 HIS H . 87 HIS N parsed_2m0z 1
63 . . . . . . . . . . . . . . . . 1.23 . . 0.501 . . 88 LEU H . 88 LEU N parsed_2m0z 1
64 . . . . . . . . . . . . . . . . 11.09 . . 0.501 . . 89 LEU H . 89 LEU N parsed_2m0z 1
65 . . . . . . . . . . . . . . . . 20.08 . . 0.501 . . 90 LEU H . 90 LEU N parsed_2m0z 1
66 . . . . . . . . . . . . . . . . 18.41 . . 0.501 . . 91 GLU H . 91 GLU N parsed_2m0z 1
67 . . . . . . . . . . . . . . . . 16.66 . . 0.501 . . 92 LYS H . 92 LYS N parsed_2m0z 1
68 . . . . . . . . . . . . . . . . -13.62 . . 0.501 . . 93 GLY H . 93 GLY N parsed_2m0z 1
69 . . . . . . . . . . . . . . . . 10.56 . . 0.501 . . 94 GLN H . 94 GLN N parsed_2m0z 1
70 . . . . . . . . . . . . . . . . 3.37 . . 0.501 . . 95 SER H . 95 SER N parsed_2m0z 1
71 . . . . . . . . . . . . . . . . 1.22 . . 0.501 . . 97 THR H . 97 THR N parsed_2m0z 1
72 . . . . . . . . . . . . . . . . 10.94 . . 0.250 . . 3 LYS H . 3 LYS N parsed_2m0z 1
73 . . . . . . . . . . . . . . . . 0.06 . . 0.250 . . 5 GLY H . 5 GLY N parsed_2m0z 1
74 . . . . . . . . . . . . . . . . 4.85 . . 0.250 . . 6 ASP H . 6 ASP N parsed_2m0z 1
75 . . . . . . . . . . . . . . . . 6.03 . . 0.250 . . 7 ILE H . 7 ILE N parsed_2m0z 1
76 . . . . . . . . . . . . . . . . 3.91 . . 0.250 . . 8 PHE H . 8 PHE N parsed_2m0z 1
77 . . . . . . . . . . . . . . . . 1.76 . . 0.250 . . 9 GLU H . 9 GLU N parsed_2m0z 1
78 . . . . . . . . . . . . . . . . -4.05 . . 0.250 . . 10 VAL H . 10 VAL N parsed_2m0z 1
79 . . . . . . . . . . . . . . . . -1.49 . . 0.250 . . 11 GLU H . 11 GLU N parsed_2m0z 1
80 . . . . . . . . . . . . . . . . 1.43 . . 0.250 . . 13 ALA H . 13 ALA N parsed_2m0z 1
81 . . . . . . . . . . . . . . . . 7.02 . . 0.250 . . 14 LYS H . 14 LYS N parsed_2m0z 1
82 . . . . . . . . . . . . . . . . -3.39 . . 0.250 . . 15 ASN H . 15 ASN N parsed_2m0z 1
83 . . . . . . . . . . . . . . . . -3.93 . . 0.250 . . 18 SER H . 18 SER N parsed_2m0z 1
84 . . . . . . . . . . . . . . . . -0.99 . . 0.250 . . 20 GLY H . 20 GLY N parsed_2m0z 1
85 . . . . . . . . . . . . . . . . 2.44 . . 0.250 . . 21 ILE H . 21 ILE N parsed_2m0z 1
86 . . . . . . . . . . . . . . . . -1.47 . . 0.250 . . 23 VAL H . 23 VAL N parsed_2m0z 1
87 . . . . . . . . . . . . . . . . 4.34 . . 0.250 . . 24 THR H . 24 THR N parsed_2m0z 1
88 . . . . . . . . . . . . . . . . 10.14 . . 0.250 . . 25 GLY H . 25 GLY N parsed_2m0z 1
89 . . . . . . . . . . . . . . . . 0.39 . . 0.250 . . 26 GLY H . 26 GLY N parsed_2m0z 1
90 . . . . . . . . . . . . . . . . -0.29 . . 0.250 . . 27 VAL H . 27 VAL N parsed_2m0z 1
91 . . . . . . . . . . . . . . . . -6.96 . . 0.250 . . 28 ASN H . 28 ASN N parsed_2m0z 1
92 . . . . . . . . . . . . . . . . 4.53 . . 0.250 . . 29 THR H . 29 THR N parsed_2m0z 1
93 . . . . . . . . . . . . . . . . -1.98 . . 0.250 . . 31 VAL H . 31 VAL N parsed_2m0z 1
94 . . . . . . . . . . . . . . . . 3.09 . . 0.250 . . 32 ARG H . 32 ARG N parsed_2m0z 1
95 . . . . . . . . . . . . . . . . 6.11 . . 0.250 . . 34 GLY H . 34 GLY N parsed_2m0z 1
96 . . . . . . . . . . . . . . . . -2.04 . . 0.250 . . 35 GLY H . 35 GLY N parsed_2m0z 1
97 . . . . . . . . . . . . . . . . 2.97 . . 0.250 . . 38 VAL H . 38 VAL N parsed_2m0z 1
98 . . . . . . . . . . . . . . . . -2.02 . . 0.250 . . 39 LYS H . 39 LYS N parsed_2m0z 1
99 . . . . . . . . . . . . . . . . 9.70 . . 0.250 . . 40 ALA H . 40 ALA N parsed_2m0z 1
100 . . . . . . . . . . . . . . . . 7.38 . . 0.250 . . 41 VAL H . 41 VAL N parsed_2m0z 1
101 . . . . . . . . . . . . . . . . 9.84 . . 0.250 . . 42 ILE H . 42 ILE N parsed_2m0z 1
102 . . . . . . . . . . . . . . . . -2.67 . . 0.250 . . 44 GLN H . 44 GLN N parsed_2m0z 1
103 . . . . . . . . . . . . . . . . -4.85 . . 0.250 . . 45 GLY H . 45 GLY N parsed_2m0z 1
104 . . . . . . . . . . . . . . . . -1.14 . . 0.250 . . 46 ALA H . 46 ALA N parsed_2m0z 1
105 . . . . . . . . . . . . . . . . 1.20 . . 0.250 . . 48 GLU H . 48 GLU N parsed_2m0z 1
106 . . . . . . . . . . . . . . . . -0.28 . . 0.250 . . 49 SER H . 49 SER N parsed_2m0z 1
107 . . . . . . . . . . . . . . . . -0.50 . . 0.250 . . 50 ASP H . 50 ASP N parsed_2m0z 1
108 . . . . . . . . . . . . . . . . 4.17 . . 0.250 . . 51 GLY H . 51 GLY N parsed_2m0z 1
109 . . . . . . . . . . . . . . . . -3.73 . . 0.250 . . 52 ARG H . 52 ARG N parsed_2m0z 1
110 . . . . . . . . . . . . . . . . -0.30 . . 0.250 . . 55 LYS H . 55 LYS N parsed_2m0z 1
111 . . . . . . . . . . . . . . . . -1.72 . . 0.250 . . 56 GLY H . 56 GLY N parsed_2m0z 1
112 . . . . . . . . . . . . . . . . -6.15 . . 0.250 . . 60 LEU H . 60 LEU N parsed_2m0z 1
113 . . . . . . . . . . . . . . . . 0.08 . . 0.250 . . 61 ALA H . 61 ALA N parsed_2m0z 1
114 . . . . . . . . . . . . . . . . -2.72 . . 0.250 . . 62 VAL H . 62 VAL N parsed_2m0z 1
115 . . . . . . . . . . . . . . . . 0.64 . . 0.250 . . 63 ASN H . 63 ASN N parsed_2m0z 1
116 . . . . . . . . . . . . . . . . 4.79 . . 0.250 . . 64 GLY H . 64 GLY N parsed_2m0z 1
117 . . . . . . . . . . . . . . . . -1.90 . . 0.250 . . 65 VAL H . 65 VAL N parsed_2m0z 1
118 . . . . . . . . . . . . . . . . 7.69 . . 0.250 . . 66 SER H . 66 SER N parsed_2m0z 1
119 . . . . . . . . . . . . . . . . -1.00 . . 0.250 . . 67 LEU H . 67 LEU N parsed_2m0z 1
120 . . . . . . . . . . . . . . . . 2.68 . . 0.250 . . 69 GLY H . 69 GLY N parsed_2m0z 1
121 . . . . . . . . . . . . . . . . 0.13 . . 0.250 . . 70 ALA H . 70 ALA N parsed_2m0z 1
122 . . . . . . . . . . . . . . . . 0.94 . . 0.250 . . 71 THR H . 71 THR N parsed_2m0z 1
123 . . . . . . . . . . . . . . . . -6.06 . . 0.250 . . 72 HIS H . 72 HIS N parsed_2m0z 1
124 . . . . . . . . . . . . . . . . -9.23 . . 0.250 . . 73 LYS H . 73 LYS N parsed_2m0z 1
125 . . . . . . . . . . . . . . . . -12.57 . . 0.250 . . 74 GLN H . 74 GLN N parsed_2m0z 1
126 . . . . . . . . . . . . . . . . -7.08 . . 0.250 . . 76 VAL H . 76 VAL N parsed_2m0z 1
127 . . . . . . . . . . . . . . . . -11.38 . . 0.250 . . 77 CYAZ H . 77 CYAZ N parsed_2m0z 1
128 . . . . . . . . . . . . . . . . -2.66 . . 0.250 . . 78 THR H . 78 THR N parsed_2m0z 1
129 . . . . . . . . . . . . . . . . -3.20 . . 0.250 . . 79 LEU H . 79 LEU N parsed_2m0z 1
130 . . . . . . . . . . . . . . . . -0.33 . . 0.250 . . 80 ARG H . 80 ARG N parsed_2m0z 1
131 . . . . . . . . . . . . . . . . 7.18 . . 0.250 . . 82 THR H . 82 THR N parsed_2m0z 1
132 . . . . . . . . . . . . . . . . 1.37 . . 0.250 . . 83 GLY H . 83 GLY N parsed_2m0z 1
133 . . . . . . . . . . . . . . . . 4.47 . . 0.250 . . 85 VAL H . 85 VAL N parsed_2m0z 1
134 . . . . . . . . . . . . . . . . 3.64 . . 0.250 . . 86 VAL H . 86 VAL N parsed_2m0z 1
135 . . . . . . . . . . . . . . . . 0.63 . . 0.250 . . 87 HIS H . 87 HIS N parsed_2m0z 1
136 . . . . . . . . . . . . . . . . -4.93 . . 0.250 . . 88 LEU H . 88 LEU N parsed_2m0z 1
137 . . . . . . . . . . . . . . . . -0.40 . . 0.250 . . 89 LEU H . 89 LEU N parsed_2m0z 1
138 . . . . . . . . . . . . . . . . 0.37 . . 0.250 . . 90 LEU H . 90 LEU N parsed_2m0z 1
139 . . . . . . . . . . . . . . . . 6.87 . . 0.250 . . 91 GLU H . 91 GLU N parsed_2m0z 1
140 . . . . . . . . . . . . . . . . 10.72 . . 0.250 . . 92 LYS H . 92 LYS N parsed_2m0z 1
141 . . . . . . . . . . . . . . . . -10.57 . . 0.250 . . 93 GLY H . 93 GLY N parsed_2m0z 1
142 . . . . . . . . . . . . . . . . -2.01 . . 0.250 . . 94 GLN H . 94 GLN N parsed_2m0z 1
143 . . . . . . . . . . . . . . . . 1.51 . . 0.250 . . 95 SER H . 95 SER N parsed_2m0z 1
144 . . . . . . . . . . . . . . . . -0.31 . . 0.250 . . 97 THR H . 97 THR N parsed_2m0z 1
stop_
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 "HN RDCs measured with an IPAP-HSQC" 1 1 1 35 parsed_2m0z 1
2 "First atom Second atom RDC Error Weight Tensor" 2 1 2 70 parsed_2m0z 1
3 "1 GLY H 1 GLY N !N.D.! 0.501 1.00E+00 1" 3 1 3 63 parsed_2m0z 1
4 "2 PRO H 2 PRO N !N.D.! 0.501 1.00E+00 1" 4 1 4 58 parsed_2m0z 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
;
1
# 4 PRO H 4 PRO N !N.D.! 0.501 1.00E+00 1
;
5 58 6 55 parsed_2m0z 1
2 1 7 53 7 54 parsed_2m0z 1
3 1 8 53 8 54 parsed_2m0z 1
4 1 9 52 9 53 parsed_2m0z 1
5 1 10 53 10 54 parsed_2m0z 1
6 1 11 53 11 54 parsed_2m0z 1
7 1 12 52 12 53 parsed_2m0z 1
8
;
1
# 12 LEU H 12 LEU N !N.D.! 0.501 1.00E+00 1
;
13 52 14 55 parsed_2m0z 1
9 1 15 53 15 54 parsed_2m0z 1
10 1 16 53 16 54 parsed_2m0z 1
11
;
1
# 16 ASP H 16 ASP N !N.D.! 0.501 1.00E+00 1
# 17 ASN H 17 ASN N !N.D.! 0.501 1.00E+00 1
;
17 52 19 55 parsed_2m0z 1
12
;
1
# 19 LEU H 19 LEU N !N.D.! 0.501 1.00E+00 1
;
20 53 21 55 parsed_2m0z 1
13 1 22 52 22 53 parsed_2m0z 1
14 1 23 53 23 54 parsed_2m0z 1
15
;
1
# 23 VAL H 23 VAL N !N.D.! 0.501 1.00E+00 1
;
24 53 25 55 parsed_2m0z 1
16 1 26 53 26 54 parsed_2m0z 1
17 1 27 53 27 54 parsed_2m0z 1
18 1 28 52 28 53 parsed_2m0z 1
19
;
1
# 28 ASN H 28 ASN N !N.D.! 0.501 1.00E+00 1
;
29 52 30 55 parsed_2m0z 1
20
;
1
# 30 SER H 30 SER N !N.D.! 0.501 1.00E+00 1
;
31 53 32 55 parsed_2m0z 1
21 1 33 53 33 54 parsed_2m0z 1
22
;
1
# 33 HIS H 33 HIS N !N.D.! 0.501 1.00E+00 1
;
34 53 35 55 parsed_2m0z 1
23 1 36 52 36 53 parsed_2m0z 1
24
;
1
## 36 ILE H 36 ILE N -0.44 0.501 1.00E+00 1
# 37 TYR H 37 TYR N 26.25 0.501 1.00E+00 1
;
37 53 39 55 parsed_2m0z 1
25
;
1
# 39 LYS H 39 LYS N -6.78 0.501 1.00E+00 1
;
40 53 41 55 parsed_2m0z 1
26 1 42 53 42 54 parsed_2m0z 1
27 1 43 53 43 54 parsed_2m0z 1
28
;
1
# 43 PRO H 43 PRO N !N.D.! 0.501 1.00E+00 1
;
44 53 45 55 parsed_2m0z 1
29 1 46 52 46 53 parsed_2m0z 1
30 1 47 53 47 54 parsed_2m0z 1
31
;
1
## 47 ALA H 47 ALA N -1.59 0.501 1.00E+00 1
;
48 52 49 56 parsed_2m0z 1
32 1 50 53 50 54 parsed_2m0z 1
33 1 51 52 51 53 parsed_2m0z 1
34 1 52 53 52 54 parsed_2m0z 1
35 1 53 53 53 54 parsed_2m0z 1
36 1 54 53 54 54 parsed_2m0z 1
37
;
1
# 54 HIS H 54 HIS N -12.02 0.501 1.00E+00 1
;
55 53 56 55 parsed_2m0z 1
38 1 57 53 57 54 parsed_2m0z 1
39
;
1
## 57 ASP H 57 ASP N -18.58 0.501 1.00E+00 1
# 58 ARG H 58 ARG N 13.54 0.501 1.00E+00 1
## 59 VAL H 59 VAL N -5.67 0.501 1.00E+00 1
;
58 52 61 56 parsed_2m0z 1
40 1 62 52 62 53 parsed_2m0z 1
41 1 63 53 63 54 parsed_2m0z 1
42 1 64 53 64 54 parsed_2m0z 1
43 1 65 53 65 54 parsed_2m0z 1
44 1 66 53 66 54 parsed_2m0z 1
45 1 67 53 67 54 parsed_2m0z 1
46 1 68 53 68 54 parsed_2m0z 1
47
;
1
# 68 GLU H 68 GLU N 14.26 0.501 1.00E+00 1
;
69 52 70 55 parsed_2m0z 1
48 1 71 53 71 54 parsed_2m0z 1
49 1 72 53 72 54 parsed_2m0z 1
50 1 73 53 73 54 parsed_2m0z 1
51 1 74 52 74 53 parsed_2m0z 1
52 1 75 52 75 53 parsed_2m0z 1
53
;
1
# 75 ALA H 75 ALA N !N.D.! 0.501 1.00E+00 1
;
76 53 77 55 parsed_2m0z 1
54 1 78 53 78 54 parsed_2m0z 1
55 1 79 53 79 54 parsed_2m0z 1
56
;
1
# 79 LEU H 79 LEU N !N.D.! 0.501 1.00E+00 1
;
80 52 81 55 parsed_2m0z 1
57
;
1
## 81 ASN H 81 ASN N -11.78 0.501 1.00E+00 1
;
82 53 83 56 parsed_2m0z 1
58 1 84 53 84 54 parsed_2m0z 1
59
;
1
## 84 GLN H 84 GLN N 5.34 0.501 1.00E+00 1
;
85 53 86 55 parsed_2m0z 1
60 1 87 53 87 54 parsed_2m0z 1
61 1 88 53 88 54 parsed_2m0z 1
62 1 89 53 89 54 parsed_2m0z 1
63 1 90 52 90 53 parsed_2m0z 1
64 1 91 53 91 54 parsed_2m0z 1
65 1 92 53 92 54 parsed_2m0z 1
66 1 93 53 93 54 parsed_2m0z 1
67 1 94 53 94 54 parsed_2m0z 1
68 1 95 53 95 54 parsed_2m0z 1
69 1 96 53 96 54 parsed_2m0z 1
70
;
1
# 96 PRO H 96 PRO N !N.D.! 0.501 1.00E+00 1
;
97 52 98 55 parsed_2m0z 1
71
;
1
#HN RDCs for PDZ2-S21C-E76C-linker cis in Otting phase
#isotropic data from new, deconvoluted data set 651->6510/6511
#First atom Second atom RDC Error Weight Tensor
# 1 GLY H 1 GLY N !N.D.! 0.250 1.00E+00 2
# 2 PRO H 2 PRO N !N.D.! 0.250 1.00E+00 2
;
99 52 104 59 parsed_2m0z 1
72
;
2
# 4 PRO H 4 PRO N !N.D.! 0.250 1.00E+00 2
;
105 58 106 55 parsed_2m0z 1
73 2 107 53 107 54 parsed_2m0z 1
74 2 108 53 108 54 parsed_2m0z 1
75 2 109 53 109 54 parsed_2m0z 1
76 2 110 53 110 54 parsed_2m0z 1
77 2 111 53 111 54 parsed_2m0z 1
78 2 112 53 112 54 parsed_2m0z 1
79
;
2
# 12 LEU H 12 LEU N !N.D.! 0.250 1.00E+00 2
;
113 53 114 55 parsed_2m0z 1
80 2 115 53 115 54 parsed_2m0z 1
81 2 116 53 116 54 parsed_2m0z 1
82
;
2
# 16 ASP H 16 ASP N !N.D.! 0.250 1.00E+00 2
# 17 ASN H 17 ASN N !N.D.! 0.250 1.00E+00 2
;
117 53 119 55 parsed_2m0z 1
83
;
2
# 19 LEU H 19 LEU N !N.D.! 0.250 1.00E+00 2
;
120 53 121 55 parsed_2m0z 1
84 2 122 53 122 54 parsed_2m0z 1
85
;
2
# 22 CYAZ H 22 CYAZ N !N.D.! 0.250 1.00E+00 2
;
123 53 124 55 parsed_2m0z 1
86 2 125 53 125 54 parsed_2m0z 1
87 2 126 53 126 54 parsed_2m0z 1
88 2 127 53 127 54 parsed_2m0z 1
89 2 128 53 128 54 parsed_2m0z 1
90 2 129 53 129 54 parsed_2m0z 1
91 2 130 53 130 54 parsed_2m0z 1
92
;
2
# 30 SER H 30 SER N !N.D.! 0.250 1.00E+00 2
;
131 53 132 55 parsed_2m0z 1
93 2 133 53 133 54 parsed_2m0z 1
94
;
2
# 33 HIS H 33 HIS N !N.D.! 0.250 1.00E+00 2
;
134 53 135 55 parsed_2m0z 1
95 2 136 53 136 54 parsed_2m0z 1
96
;
2
## 36 ILE H 36 ILE N 10.27 0.250 1.00E+00 2
# 37 TYR H 37 TYR N -0.35 0.250 1.00E+00 2
;
137 53 139 55 parsed_2m0z 1
97 2 140 53 140 54 parsed_2m0z 1
98 2 141 53 141 54 parsed_2m0z 1
99 2 142 53 142 54 parsed_2m0z 1
100 2 143 53 143 54 parsed_2m0z 1
101
;
2
# 43 PRO H 43 PRO N !N.D.! 0.250 1.00E+00 2
;
144 53 145 55 parsed_2m0z 1
102 2 146 53 146 54 parsed_2m0z 1
103 2 147 53 147 54 parsed_2m0z 1
104
;
2
## 47 ALA H 47 ALA N 2.51 0.250 1.00E+00 2
;
148 53 149 56 parsed_2m0z 1
105 2 150 53 150 54 parsed_2m0z 1
106 2 151 53 151 54 parsed_2m0z 1
107 2 152 53 152 54 parsed_2m0z 1
108 2 153 53 153 54 parsed_2m0z 1
109
;
2
# 53 ILE H 53 ILE N -7.66 0.250 1.00E+00 2
# 54 HIS H 54 HIS N -0.14 0.250 1.00E+00 2
;
154 53 156 55 parsed_2m0z 1
110 2 157 53 157 54 parsed_2m0z 1
111
;
2
## 57 ASP H 57 ASP N -6.36 0.250 1.00E+00 2
# 58 ARG H 58 ARG N 2.38 0.250 1.00E+00 2
## 59 VAL H 59 VAL N -0.13 0.250 1.00E+00 2
;
158 53 161 56 parsed_2m0z 1
112 2 162 53 162 54 parsed_2m0z 1
113 2 163 53 163 54 parsed_2m0z 1
114 2 164 53 164 54 parsed_2m0z 1
115 2 165 53 165 54 parsed_2m0z 1
116 2 166 53 166 54 parsed_2m0z 1
117 2 167 53 167 54 parsed_2m0z 1
118 2 168 53 168 54 parsed_2m0z 1
119
;
2
# 68 GLU H 68 GLU N -2.07 0.250 1.00E+00 2
;
169 53 170 55 parsed_2m0z 1
120 2 171 53 171 54 parsed_2m0z 1
121 2 172 53 172 54 parsed_2m0z 1
122 2 173 53 173 54 parsed_2m0z 1
123 2 174 53 174 54 parsed_2m0z 1
124 2 175 53 175 54 parsed_2m0z 1
125
;
2
# 75 ALA H 75 ALA N !N.D.! 0.250 1.00E+00 2
;
176 53 177 55 parsed_2m0z 1
126 2 178 53 178 54 parsed_2m0z 1
127 2 179 53 179 54 parsed_2m0z 1
128 2 180 53 180 54 parsed_2m0z 1
129 2 181 53 181 54 parsed_2m0z 1
130
;
2
## 81 ASN H 81 ASN N -12.12 0.250 1.00E+00 2
;
182 53 183 56 parsed_2m0z 1
131 2 184 53 184 54 parsed_2m0z 1
132
;
2
## 84 GLN H 84 GLN N -9.62 0.250 1.00E+00 2
;
185 53 186 56 parsed_2m0z 1
133 2 187 53 187 54 parsed_2m0z 1
134 2 188 53 188 54 parsed_2m0z 1
135 2 189 53 189 54 parsed_2m0z 1
136 2 190 53 190 54 parsed_2m0z 1
137 2 191 53 191 54 parsed_2m0z 1
138 2 192 53 192 54 parsed_2m0z 1
139 2 193 53 193 54 parsed_2m0z 1
140 2 194 53 194 54 parsed_2m0z 1
141 2 195 53 195 54 parsed_2m0z 1
142 2 196 53 196 54 parsed_2m0z 1
143
;
2
# 96 PRO H 96 PRO N !N.D.! 0.250 1.00E+00 2
;
197 53 198 55 parsed_2m0z 1
144
;
2
;
199 53 200 1 parsed_2m0z 1
stop_
save_
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