NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
49222 |
2jrl   |
15334 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2jrl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jrl
_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_2jrl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jrl
_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 2jrl "Master copy" parsed_2jrl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jrl
_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 2jrl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . DYANA/DIANA 3 distance NOE simple 4513 parsed_2jrl 1
1 2jrl.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 184 parsed_2jrl 1
1 2jrl.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 0 parsed_2jrl 1
1 2jrl.mr . . DYANA/DIANA 8 distance NOE simple 0 parsed_2jrl 1
1 2jrl.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 0 parsed_2jrl 1
1 2jrl.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . XPLOR/CNS 14 distance NOE simple 0 parsed_2jrl 1
1 2jrl.mr . . XPLOR/CNS 15 distance symmetry simple 0 parsed_2jrl 1
1 2jrl.mr . . DYANA/DIANA 16 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . DYANA/DIANA 17 peak "Not applicable" "Not applicable" 0 parsed_2jrl 1
1 2jrl.mr . . "MR format" 18 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jrl 1
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2jrl
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "3 ARG H 3 ARG N -3.18 0.250 1.000 1" 1 6 1 64 parsed_2jrl 1
2 "4 VAL H 4 VAL N -18.98 0.250 1.000 1" 2 6 2 64 parsed_2jrl 1
3 "5 LEU H 5 LEU N -21.12 0.250 1.000 1" 3 6 3 64 parsed_2jrl 1
4 "6 VAL H 6 VAL N -39.14 0.250 1.000 1" 4 6 4 64 parsed_2jrl 1
5 "7 VAL H 7 VAL N -4.38 0.250 1.000 1" 5 6 5 64 parsed_2jrl 1
6 "8 ASP H 8 ASP N -15.23 0.250 1.000 1" 6 6 6 64 parsed_2jrl 1
7 "9 ASP H 9 ASP N -38 0.250 1.000 1" 7 6 7 64 parsed_2jrl 1
8 "10 GLU H 10 GLU N 5.05 0.250 1.000 1" 8 5 8 64 parsed_2jrl 1
9
;
11 GLU H 11 GLU N 28.42 0.250 1.000 1
# 12 SER H 12 SER N -8.37 0.250 1.000 1
;
9 5 10 64 parsed_2jrl 1
10 "13 ILE H 13 ILE N 16.38 0.250 1.000 1" 11 5 11 64 parsed_2jrl 1
11 "14 THR H 14 THR N 16.67 0.250 1.000 1" 12 5 12 64 parsed_2jrl 1
12
;
15 SER H 15 SER N 5.12 0.250 1.000 1
# 16 SER H 16 SER N -8.77 0.250 1.000 1
# 17 LEU H 17 LEU N -1.21 0.250 1.000 1
;
13 5 15 64 parsed_2jrl 1
13 "18 SER H 18 SER N 8.14 0.250 1.000 1" 16 5 16 64 parsed_2jrl 1
14 "19 ALA H 19 ALA N -7.82 0.250 1.000 1" 17 5 17 64 parsed_2jrl 1
15 "20 ILE H 20 ILE N -3.35 0.250 1.000 1" 18 5 18 64 parsed_2jrl 1
16
;
21 LEU H 21 LEU N 17.65 0.250 1.000 1
# 22 GLU H 22 GLU N 13.53 0.250 1.000 1
;
19 5 20 64 parsed_2jrl 1
17 "23 GLU H 23 GLU N -12.87 0.250 1.000 1" 21 5 21 64 parsed_2jrl 1
18 "24 GLU H 24 GLU N 3.98 0.250 1.000 1" 22 5 22 64 parsed_2jrl 1
19
;
25 GLY H 25 GLY N -1.05 0.250 1.000 1
# 26 TYR H 26 TYR N -6.82 0.250 1.000 1
;
23 5 24 64 parsed_2jrl 1
20
;
27 HIS H 27 HIS N -18.97 0.250 1.000 1
# 28 PRO H 28 PRO N - 0.250 1.000 1
;
25 5 26 64 parsed_2jrl 1
21 "29 ASP H 29 ASP N -23.28 0.250 1.000 1" 27 5 27 64 parsed_2jrl 1
22 "30 THR H 30 THR N -9.29 0.250 1.000 1" 28 5 28 64 parsed_2jrl 1
23 "31 ALA H 31 ALA N -0.67 0.250 1.000 1" 29 5 29 64 parsed_2jrl 1
24 "32 LYS H 32 LYS N -10.88 0.250 1.000 1" 30 5 30 64 parsed_2jrl 1
25 "33 THR H 33 THR N -11.86 0.250 1.000 1" 31 5 31 64 parsed_2jrl 1
26 "34 LEU H 34 LEU N -9.34 0.250 1.000 1" 32 5 32 64 parsed_2jrl 1
27 "35 ARG H 35 ARG N -8.67 0.250 1.000 1" 33 5 33 64 parsed_2jrl 1
28 "36 GLU H 36 GLU N -5.05 0.250 1.000 1" 34 5 34 64 parsed_2jrl 1
29 "37 ALA H 37 ALA N -14.5 0.250 1.000 1" 35 5 35 64 parsed_2jrl 1
30 "38 GLU H 38 GLU N 15.02 0.250 1.000 1" 36 5 36 64 parsed_2jrl 1
31 "39 LYS H 39 LYS N -2.34 0.250 1.000 1" 37 5 37 64 parsed_2jrl 1
32 "40 LYS H 40 LYS N -3.54 0.250 1.000 1" 38 5 38 64 parsed_2jrl 1
33 "41 ILE H 41 ILE N 5.43 0.250 1.000 1" 39 5 39 64 parsed_2jrl 1
34 "42 LYS H 42 LYS N 15.01 0.250 1.000 1" 40 5 40 64 parsed_2jrl 1
35 "43 GLU H 43 GLU N -4.57 0.250 1.000 1" 41 5 41 64 parsed_2jrl 1
36 "44 LEU H 44 LEU N -26.28 0.250 1.000 1" 42 5 42 64 parsed_2jrl 1
37 "45 PHE H 45 PHE N -35.72 0.250 1.000 1" 43 5 43 64 parsed_2jrl 1
38
;
46 PHE H 46 PHE N -16.74 0.250 1.000 1
# 47 PRO H 47 PRO N - 0.250 1.000 1
;
44 5 45 64 parsed_2jrl 1
39 "48 VAL H 48 VAL N -32.12 0.250 1.000 1" 46 5 46 64 parsed_2jrl 1
40 "49 ILE H 49 ILE N -26.04 0.250 1.000 1" 47 5 47 64 parsed_2jrl 1
41 "50 VAL H 50 VAL N -19.32 0.250 1.000 1" 48 5 48 64 parsed_2jrl 1
42 "51 LEU H 51 LEU N 1.5 0.250 1.000 1" 49 5 49 64 parsed_2jrl 1
43 "52 ASP H 52 ASP N -22.84 0.250 1.000 1" 50 5 50 64 parsed_2jrl 1
44 "53 VAL H 53 VAL N 17.63 0.250 1.000 1" 51 5 51 64 parsed_2jrl 1
45 "54 TRP H 54 TRP N 32.29 0.250 1.000 1" 52 5 52 64 parsed_2jrl 1
46
;
55 MET H 55 MET N -35.78 0.250 1.000 1
# 56 PRO H 56 PRO N - 0.250 1.000 1
;
53 5 54 64 parsed_2jrl 1
47 "57 ASP H 57 ASP N -3.9 0.250 1.000 1" 55 5 55 64 parsed_2jrl 1
48
;
58 GLY H 58 GLY N -2.17 0.250 1.000 1
# 59 ASP H 59 ASP N -9.59 0.250 1.000 1
;
56 5 57 64 parsed_2jrl 1
49 "60 GLY H 60 GLY N 3.93 0.250 1.000 1" 58 5 58 64 parsed_2jrl 1
50 "61 VAL H 61 VAL N -3.54 0.250 1.000 1" 59 5 59 64 parsed_2jrl 1
51 "62 ASN H 62 ASN N 0.76 0.250 1.000 1" 60 5 60 64 parsed_2jrl 1
52
;
63 PHE H 63 PHE N -0.59 0.250 1.000 1
# 64 ILE H 64 ILE N -10.49 0.250 1.000 1
;
61 5 62 64 parsed_2jrl 1
53 "65 ASP H 65 ASP N -9.42 0.250 1.000 1" 63 5 63 64 parsed_2jrl 1
54
;
66 PHE H 66 PHE N -3.18 0.250 1.000 1
# 67 ILE H 67 ILE N 9.5 0.250 1.000 1
;
64 5 65 64 parsed_2jrl 1
55 "68 LYS H 68 LYS N -9.44 0.250 1.000 1" 66 5 66 64 parsed_2jrl 1
56 "69 GLU H 69 GLU N -5.05 0.250 1.000 1" 67 5 67 64 parsed_2jrl 1
57 "70 ASN H 70 ASN N -7.52 0.250 1.000 1" 68 5 68 64 parsed_2jrl 1
58
;
71 SER H 71 SER N -33.66 0.250 1.000 1
# 72 PRO H 72 PRO N - 0.250 1.000 1
;
69 5 70 64 parsed_2jrl 1
59 "73 ASP H 73 ASP N 5.81 0.250 1.000 1" 71 5 71 64 parsed_2jrl 1
60 "74 SER H 74 SER N 18.84 0.250 1.000 1" 72 5 72 64 parsed_2jrl 1
61 "75 VAL H 75 VAL N -42.59 0.250 1.000 1" 73 5 73 64 parsed_2jrl 1
62 "76 VAL H 76 VAL N -30.45 0.250 1.000 1" 74 5 74 64 parsed_2jrl 1
63 "77 ILE H 77 ILE N -18.15 0.250 1.000 1" 75 5 75 64 parsed_2jrl 1
64 "78 VAL H 78 VAL N 6.02 0.250 1.000 1" 76 5 76 64 parsed_2jrl 1
65 "79 ILE H 79 ILE N 19.06 0.250 1.000 1" 77 5 77 64 parsed_2jrl 1
66
;
80 THR H 80 THR N 31.6 0.250 1.000 1
# 81 GLY H 81 GLY N - 0.250 1.000 1
;
78 5 79 64 parsed_2jrl 1
67 "82 HIS H 82 HIS N -1.37 0.250 1.000 1" 80 5 80 64 parsed_2jrl 1
68 "83 GLY H 83 GLY N -11.08 0.250 1.000 1" 81 5 81 64 parsed_2jrl 1
69 "84 SER H 84 SER N -3.16 0.250 1.000 1" 82 5 82 64 parsed_2jrl 1
70 "85 VAL H 85 VAL N -14.46 0.250 1.000 1" 83 5 83 64 parsed_2jrl 1
71 "86 ASP H 86 ASP N -5.75 0.250 1.000 1" 84 5 84 64 parsed_2jrl 1
72 "87 THR H 87 THR N -4.98 0.250 1.000 1" 85 5 85 64 parsed_2jrl 1
73 "88 ALA H 88 ALA N -6.89 0.250 1.000 1" 86 5 86 64 parsed_2jrl 1
74 "89 VAL H 89 VAL N -16.47 0.250 1.000 1" 87 5 87 64 parsed_2jrl 1
75 "90 LYS H 90 LYS N -12.23 0.250 1.000 1" 88 5 88 64 parsed_2jrl 1
76 "91 ALA H 91 ALA N 2.12 0.250 1.000 1" 89 5 89 64 parsed_2jrl 1
77 "92 ILE H 92 ILE N -42.26 0.250 1.000 1" 90 5 90 64 parsed_2jrl 1
78 "93 LYS H 93 LYS N -6.78 0.250 1.000 1" 91 5 91 64 parsed_2jrl 1
79 "94 LYS H 94 LYS N -1.17 0.250 1.000 1" 92 5 92 64 parsed_2jrl 1
80 "95 GLY H 95 GLY N -5.61 0.250 1.000 1" 93 5 93 64 parsed_2jrl 1
81 "96 ALA H 96 ALA N -31.47 0.250 1.000 1" 94 5 94 64 parsed_2jrl 1
82 "97 TYR H 97 TYR N -10.78 0.250 1.000 1" 95 5 95 64 parsed_2jrl 1
83 "98 GLU H 98 GLU N 37.83 0.250 1.000 1" 96 5 96 64 parsed_2jrl 1
84 "99 PHE H 99 PHE N 37.39 0.250 1.000 1" 97 5 97 64 parsed_2jrl 1
85 "100 LEU H 100 LEU N 18.4 0.250 1.000 1" 98 4 98 64 parsed_2jrl 1
86 "101 GLU H 101 GLU N 34.78 0.250 1.000 1" 99 4 99 64 parsed_2jrl 1
87
;
102 LYS H 102 LYS N -8.28 0.250 1.000 1
# 103 PRO H 103 PRO N - 0.250 1.000 1
;
100 4 101 64 parsed_2jrl 1
88 "104 PHE H 104 PHE N 5.35 0.250 1.000 1" 102 4 102 64 parsed_2jrl 1
89 "105 SER H 105 SER N 12.71 0.250 1.000 1" 103 4 103 64 parsed_2jrl 1
90 "106 VAL H 106 VAL N -14.68 0.250 1.000 1" 104 4 104 64 parsed_2jrl 1
91 "107 GLU H 107 GLU N -2.75 0.250 1.000 1" 105 4 105 64 parsed_2jrl 1
92 "108 ARG H 108 ARG N 0.46 0.250 1.000 1" 106 4 106 64 parsed_2jrl 1
93 "109 PHE H 109 PHE N -10.98 0.250 1.000 1" 107 4 107 64 parsed_2jrl 1
94 "110 LEU H 110 LEU N 0.12 0.250 1.000 1" 108 4 108 64 parsed_2jrl 1
95 "111 LEU H 111 LEU N -3.87 0.250 1.000 1" 109 4 109 64 parsed_2jrl 1
96 "112 THR H 112 THR N -7.13 0.250 1.000 1" 110 4 110 64 parsed_2jrl 1
97 "113 ILE H 113 ILE N -7.84 0.250 1.000 1" 111 4 111 64 parsed_2jrl 1
98 "114 LYS H 114 LYS N -10.57 0.250 1.000 1" 112 4 112 64 parsed_2jrl 1
99 "115 HIS H 115 HIS N -4.3 0.250 1.000 1" 113 4 113 64 parsed_2jrl 1
100 "116 ALA H 116 ALA N -12.47 0.250 1.000 1" 114 4 114 64 parsed_2jrl 1
101 "117 PHE H 117 PHE N -5.64 0.250 1.000 1" 115 4 115 64 parsed_2jrl 1
102 "118 GLU H 118 GLU N -15.56 0.250 1.000 1" 116 4 116 64 parsed_2jrl 1
103 "119 GLU H 119 GLU N -8.66 0.250 1.000 1" 117 4 117 64 parsed_2jrl 1
104 "120 TYR H 120 TYR N -10.65 0.250 1.000 1" 118 4 118 64 parsed_2jrl 1
105 "121 SER H 121 SER N -3.24 0.250 1.000 1" 119 4 119 64 parsed_2jrl 1
106 "303 ARG H 303 ARG N -3.18 0.250 1.000 1" 120 4 120 64 parsed_2jrl 1
107 "304 VAL H 304 VAL N -18.98 0.250 1.000 1" 121 4 121 64 parsed_2jrl 1
108 "305 LEU H 305 LEU N -21.12 0.250 1.000 1" 122 4 122 64 parsed_2jrl 1
109 "306 VAL H 306 VAL N -39.14 0.250 1.000 1" 123 4 123 64 parsed_2jrl 1
110 "307 VAL H 307 VAL N -4.38 0.250 1.000 1" 124 4 124 64 parsed_2jrl 1
111 "308 ASP H 308 ASP N -15.23 0.250 1.000 1" 125 4 125 64 parsed_2jrl 1
112 "309 ASP H 309 ASP N -38 0.250 1.000 1" 126 4 126 64 parsed_2jrl 1
113 "310 GLU H 310 GLU N 5.05 0.250 1.000 1" 127 4 127 64 parsed_2jrl 1
114
;
311 GLU H 311 GLU N 28.42 0.250 1.000 1
# 312 SER H 312 SER N -8.37 0.250 1.000 1
;
128 4 129 64 parsed_2jrl 1
115 "313 ILE H 313 ILE N 16.38 0.250 1.000 1" 130 4 130 64 parsed_2jrl 1
116 "314 THR H 314 THR N 16.67 0.250 1.000 1" 131 4 131 64 parsed_2jrl 1
117
;
315 SER H 315 SER N 5.12 0.250 1.000 1
# 316 SER H 316 SER N -8.77 0.250 1.000 1
# 317 LEU H 317 LEU N -1.21 0.250 1.000 1
;
132 4 134 64 parsed_2jrl 1
118 "318 SER H 318 SER N 8.14 0.250 1.000 1" 135 4 135 64 parsed_2jrl 1
119 "319 ALA H 319 ALA N -7.82 0.250 1.000 1" 136 4 136 64 parsed_2jrl 1
120 "320 ILE H 320 ILE N -3.35 0.250 1.000 1" 137 4 137 64 parsed_2jrl 1
121
;
321 LEU H 321 LEU N 17.65 0.250 1.000 1
# 322 GLU H 322 GLU N 13.53 0.250 1.000 1
;
138 4 139 64 parsed_2jrl 1
122 "323 GLU H 323 GLU N -12.87 0.250 1.000 1" 140 4 140 64 parsed_2jrl 1
123 "324 GLU H 324 GLU N 3.98 0.250 1.000 1" 141 4 141 64 parsed_2jrl 1
124
;
325 GLY H 325 GLY N -1.05 0.250 1.000 1
# 326 TYR H 326 TYR N -6.82 0.250 1.000 1
;
142 4 143 64 parsed_2jrl 1
125
;
327 HIS H 327 HIS N -18.97 0.250 1.000 1
# 328 PRO H 328 PRO N - 0.250 1.000 1
;
144 4 145 64 parsed_2jrl 1
126 "329 ASP H 329 ASP N -23.28 0.250 1.000 1" 146 4 146 64 parsed_2jrl 1
127 "330 THR H 330 THR N -9.29 0.250 1.000 1" 147 4 147 64 parsed_2jrl 1
128 "331 ALA H 331 ALA N -0.67 0.250 1.000 1" 148 4 148 64 parsed_2jrl 1
129 "332 LYS H 332 LYS N -10.88 0.250 1.000 1" 149 4 149 64 parsed_2jrl 1
130 "333 THR H 333 THR N -11.86 0.250 1.000 1" 150 4 150 64 parsed_2jrl 1
131 "334 LEU H 334 LEU N -9.34 0.250 1.000 1" 151 4 151 64 parsed_2jrl 1
132 "335 ARG H 335 ARG N -8.67 0.250 1.000 1" 152 4 152 64 parsed_2jrl 1
133 "336 GLU H 336 GLU N -5.05 0.250 1.000 1" 153 4 153 64 parsed_2jrl 1
134 "337 ALA H 337 ALA N -14.5 0.250 1.000 1" 154 4 154 64 parsed_2jrl 1
135 "338 GLU H 338 GLU N 15.02 0.250 1.000 1" 155 4 155 64 parsed_2jrl 1
136 "339 LYS H 339 LYS N -2.34 0.250 1.000 1" 156 4 156 64 parsed_2jrl 1
137 "340 LYS H 340 LYS N -3.54 0.250 1.000 1" 157 4 157 64 parsed_2jrl 1
138 "341 ILE H 341 ILE N 5.43 0.250 1.000 1" 158 4 158 64 parsed_2jrl 1
139 "342 LYS H 342 LYS N 15.01 0.250 1.000 1" 159 4 159 64 parsed_2jrl 1
140 "343 GLU H 343 GLU N -4.57 0.250 1.000 1" 160 4 160 64 parsed_2jrl 1
141 "344 LEU H 344 LEU N -26.28 0.250 1.000 1" 161 4 161 64 parsed_2jrl 1
142 "345 PHE H 345 PHE N -35.72 0.250 1.000 1" 162 4 162 64 parsed_2jrl 1
143
;
346 PHE H 346 PHE N -16.74 0.250 1.000 1
# 347 PRO H 347 PRO N - 0.250 1.000 1
;
163 4 164 64 parsed_2jrl 1
144 "348 VAL H 348 VAL N -32.12 0.250 1.000 1" 165 4 165 64 parsed_2jrl 1
145 "349 ILE H 349 ILE N -26.04 0.250 1.000 1" 166 4 166 64 parsed_2jrl 1
146 "350 VAL H 350 VAL N -19.32 0.250 1.000 1" 167 4 167 64 parsed_2jrl 1
147 "351 LEU H 351 LEU N 1.5 0.250 1.000 1" 168 4 168 64 parsed_2jrl 1
148 "352 ASP H 352 ASP N -22.84 0.250 1.000 1" 169 4 169 64 parsed_2jrl 1
149 "353 VAL H 353 VAL N 17.63 0.250 1.000 1" 170 4 170 64 parsed_2jrl 1
150 "354 TRP H 354 TRP N 32.29 0.250 1.000 1" 171 4 171 64 parsed_2jrl 1
151
;
355 MET H 355 MET N -35.78 0.250 1.000 1
# 356 PRO H 356 PRO N - 0.250 1.000 1
;
172 4 173 64 parsed_2jrl 1
152 "357 ASP H 357 ASP N -3.9 0.250 1.000 1" 174 4 174 64 parsed_2jrl 1
153
;
358 GLY H 358 GLY N -2.17 0.250 1.000 1
# 359 ASP H 359 ASP N -9.59 0.250 1.000 1
;
175 4 176 64 parsed_2jrl 1
154 "360 GLY H 360 GLY N 3.93 0.250 1.000 1" 177 4 177 64 parsed_2jrl 1
155 "361 VAL H 361 VAL N -3.54 0.250 1.000 1" 178 4 178 64 parsed_2jrl 1
156 "362 ASN H 362 ASN N 0.76 0.250 1.000 1" 179 4 179 64 parsed_2jrl 1
157
;
363 PHE H 363 PHE N -0.59 0.250 1.000 1
# 364 ILE H 364 ILE N -10.49 0.250 1.000 1
;
180 4 181 64 parsed_2jrl 1
158 "365 ASP H 365 ASP N -9.42 0.250 1.000 1" 182 4 182 64 parsed_2jrl 1
159
;
366 PHE H 366 PHE N -3.18 0.250 1.000 1
# 367 ILE H 367 ILE N 9.5 0.250 1.000 1
;
183 4 184 64 parsed_2jrl 1
160 "368 LYS H 368 LYS N -9.44 0.250 1.000 1" 185 4 185 64 parsed_2jrl 1
161 "369 GLU H 369 GLU N -5.05 0.250 1.000 1" 186 4 186 64 parsed_2jrl 1
162 "370 ASN H 370 ASN N -7.52 0.250 1.000 1" 187 4 187 64 parsed_2jrl 1
163
;
371 SER H 371 SER N -33.66 0.250 1.000 1
# 372 PRO H 372 PRO N - 0.250 1.000 1
;
188 4 189 64 parsed_2jrl 1
164 "373 ASP H 373 ASP N 5.81 0.250 1.000 1" 190 4 190 64 parsed_2jrl 1
165 "374 SER H 374 SER N 18.84 0.250 1.000 1" 191 4 191 64 parsed_2jrl 1
166 "375 VAL H 375 VAL N -42.59 0.250 1.000 1" 192 4 192 64 parsed_2jrl 1
167 "376 VAL H 376 VAL N -30.45 0.250 1.000 1" 193 4 193 64 parsed_2jrl 1
168 "377 ILE H 377 ILE N -18.15 0.250 1.000 1" 194 4 194 64 parsed_2jrl 1
169 "378 VAL H 378 VAL N 6.02 0.250 1.000 1" 195 4 195 64 parsed_2jrl 1
170 "379 ILE H 379 ILE N 19.06 0.250 1.000 1" 196 4 196 64 parsed_2jrl 1
171
;
380 THR H 380 THR N 31.6 0.250 1.000 1
# 381 GLY H 381 GLY N - 0.250 1.000 1
;
197 4 198 64 parsed_2jrl 1
172 "382 HIS H 382 HIS N -1.37 0.250 1.000 1" 199 4 199 64 parsed_2jrl 1
173 "383 GLY H 383 GLY N -11.08 0.250 1.000 1" 200 4 200 64 parsed_2jrl 1
174 "384 SER H 384 SER N -3.16 0.250 1.000 1" 201 4 201 64 parsed_2jrl 1
175 "385 VAL H 385 VAL N -14.46 0.250 1.000 1" 202 4 202 64 parsed_2jrl 1
176 "386 ASP H 386 ASP N -5.75 0.250 1.000 1" 203 4 203 64 parsed_2jrl 1
177 "387 THR H 387 THR N -4.98 0.250 1.000 1" 204 4 204 64 parsed_2jrl 1
178 "388 ALA H 388 ALA N -6.89 0.250 1.000 1" 205 4 205 64 parsed_2jrl 1
179 "389 VAL H 389 VAL N -16.47 0.250 1.000 1" 206 4 206 64 parsed_2jrl 1
180 "390 LYS H 390 LYS N -12.23 0.250 1.000 1" 207 4 207 64 parsed_2jrl 1
181 "391 ALA H 391 ALA N 2.12 0.250 1.000 1" 208 4 208 64 parsed_2jrl 1
182 "392 ILE H 392 ILE N -42.26 0.250 1.000 1" 209 4 209 64 parsed_2jrl 1
183 "393 LYS H 393 LYS N -6.78 0.250 1.000 1" 210 4 210 64 parsed_2jrl 1
184 "394 LYS H 394 LYS N -1.17 0.250 1.000 1" 211 4 211 64 parsed_2jrl 1
185 "395 GLY H 395 GLY N -5.61 0.250 1.000 1" 212 4 212 64 parsed_2jrl 1
186 "396 ALA H 396 ALA N -31.47 0.250 1.000 1" 213 4 213 64 parsed_2jrl 1
187 "397 TYR H 397 TYR N -10.78 0.250 1.000 1" 214 4 214 64 parsed_2jrl 1
188 "398 GLU H 398 GLU N 37.83 0.250 1.000 1" 215 4 215 64 parsed_2jrl 1
189 "399 PHE H 399 PHE N 37.39 0.250 1.000 1" 216 4 216 64 parsed_2jrl 1
190 "400 LEU H 400 LEU N 18.4 0.250 1.000 1" 217 4 217 64 parsed_2jrl 1
191 "401 GLU H 401 GLU N 34.78 0.250 1.000 1" 218 4 218 64 parsed_2jrl 1
192
;
402 LYS H 402 LYS N -8.28 0.250 1.000 1
# 403 PRO H 403 PRO N - 0.250 1.000 1
;
219 4 220 64 parsed_2jrl 1
193 "404 PHE H 404 PHE N 5.35 0.250 1.000 1" 221 4 221 64 parsed_2jrl 1
194 "405 SER H 405 SER N 12.71 0.250 1.000 1" 222 4 222 64 parsed_2jrl 1
195 "406 VAL H 406 VAL N -14.68 0.250 1.000 1" 223 4 223 64 parsed_2jrl 1
196 "407 GLU H 407 GLU N -2.75 0.250 1.000 1" 224 4 224 64 parsed_2jrl 1
197 "408 ARG H 408 ARG N 0.46 0.250 1.000 1" 225 4 225 64 parsed_2jrl 1
198 "409 PHE H 409 PHE N -10.98 0.250 1.000 1" 226 4 226 64 parsed_2jrl 1
199 "410 LEU H 410 LEU N 0.12 0.250 1.000 1" 227 4 227 64 parsed_2jrl 1
200 "411 LEU H 411 LEU N -3.87 0.250 1.000 1" 228 4 228 64 parsed_2jrl 1
201 "412 THR H 412 THR N -7.13 0.250 1.000 1" 229 4 229 64 parsed_2jrl 1
202 "413 ILE H 413 ILE N -7.84 0.250 1.000 1" 230 4 230 64 parsed_2jrl 1
203 "414 LYS H 414 LYS N -10.57 0.250 1.000 1" 231 4 231 64 parsed_2jrl 1
204 "415 HIS H 415 HIS N -4.3 0.250 1.000 1" 232 4 232 64 parsed_2jrl 1
205 "416 ALA H 416 ALA N -12.47 0.250 1.000 1" 233 4 233 64 parsed_2jrl 1
206 "417 PHE H 417 PHE N -5.64 0.250 1.000 1" 234 4 234 64 parsed_2jrl 1
207 "418 GLU H 418 GLU N -15.56 0.250 1.000 1" 235 4 235 64 parsed_2jrl 1
208 "419 GLU H 419 GLU N -8.66 0.250 1.000 1" 236 4 236 64 parsed_2jrl 1
209 "420 TYR H 420 TYR N -10.65 0.250 1.000 1" 237 4 237 64 parsed_2jrl 1
210 "421 SER H 421 SER N -3.24 0.250 1.000 1 noe_dmr.upl0000644000077600001440000000331110640511553012231 0ustar cjleeusers 88 ALA HB2 385 VAL HG2 3.50 # 1 U 7.33e+008 " 238 4 238 224 parsed_2jrl 1
stop_
save_
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