NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
12783 1tm6 6289 cing 1-original 5 STAR chemical shift




# The atom table chosen for this sequence is:

loop_
     _Atom_shift_assign_ID
     _Residue_seq_code
     _Residue_label
     _Atom_name
     _Atom_type
     _Chem_shift_value
     _Chem_shift_value_error
     _Chem_shift_ambiguity_code

#
#Atom Residue
#shift Seq Residue Atom Atom Shift/ Error/ Ambiguity
#assign code Label Name Type ppm ppm Code
#---------------------------------------------------------------
#

1  1 GLY HA2  H 3.96  0.05  2 
2  1 GLY HA3  H 3.90  0.05 2 
3  1 GLY CA  C 43.54  0.10  1 

4  2 ARG HA  H 4.14  0.05 1 
5  2 ARG HB2  H 2.09 0.05 2 
6  2 ARG HB3  H 1.93 0.05 2 
7  2 ARG HG2  H 2.27  0.05 2 
9  2 ARG CA  C 56.88  0.10 1 
10  2 ARG CB  C 30.32  0.10 1 
11  2 ARG N  N 125.19  0.10 1 
12  2 ARG NH  H 7.91  0.10 2 

14  3 ASN HA  H 4.87  0.05 1 
15  3 ASN HB2  H 2.52  0.05 1 
16  3 ASN HB3  H 2.79 0.05 1 
17  3 ASN CA  C 53.65  0.10 1 
18  3 ASN CB  C 40.29  0.10 1 
19  3 ASN N  N 120.13 0.10 1 
20  3 ASN HN H 7.69 0.10 1

21  4 ASP HA  H 4.97  0.05 1 
22  4 ASP HB2  H 2.69  0.05 1 
23  4 ASP HB3  H 2.97  0.05 1 
24  4 ASP CA  C 52.93  0.10 1 
25  4 ASP CB  C 39.30  0.10 1 
26  4 ASP N  N 115.64  0.10 1
27  4 ASP NH H 7.63 0.10 1
 
28  5 PRO HA  H 4.35  0.05 1 
29  5 PRO HB2  H 2.25 0.05 2 
30  5 PRO HB3  H 1.76  0.05 2 
31  5 PRO HG2  H 2.11 0.05 2 
32  5 PRO HG3  H 1.97  0.05 2 
33  5 PRO HD2  H 3.91  0.05 2 
34  5 PRO HD3  H 3.60  0.05 2 
35  5 PRO CA  C 63.30  0.10 1 
36  5 PRO CB  C 32.05  0.10 1 
37  5 PRO CG  C 28.11  0.10 1 
38  5 PRO CD  C 50.70  0.10 1 

39  6 CYS HA  H 4.45  0.05 1 
40  6 CYS HB2  H 2.43 0.05 1 
41  6 CYS HB3  H 3.29 0.05 1 
42  6 CYS CA  C 59.78  0.10 1 
43  6 CYS CB  C 30.03 0.10 1 
44  6 CYS N  N 115.64 0.10 1 
45  6 CYS NH H 7.61 0.10 1

46  7 PRO HA  H 4.45  0.05 1 
47  7 PRO HB2  H 1.92  0.05 2 
48  7 PRO HB3  H 2.33  0.05 2 
49  7 PRO HG2  H 2.42  0.05 2 
51  7 PRO HD2  H 4.47  0.05 2 
52  7 PRO HD3  H 4.07 0.05 2 
53  7 PRO CA  C 64.80  0.10 1 
54  7 PRO CB  C 32.47 0.10 1 
55  7 PRO CG  C 29.86 0.10 1 
56  7 PRO CD  C 53.59 0.10 1 

57  8 CYS HA  H 4.60  0.05 1 
58  8 CYS HB2  H 3.24  0.05 1 
59  8 CYS HB3  H 2.86  0.05 1 
60  8 CYS CA  C 59.61  0.10 1 
61  8 CYS CB  C 31.25 0.10 1 
62  8 CYS N  N 127.40  0.10 1 
63  8 CYS HN H 9.37 0.10 1

64  9 GLY HA2  H 3.92  0.05 2 
65  9 GLY HA3  H 4.34  0.05 2 
66  9 GLY CA  C 46.20  0.10 1 
67  9 GLY N  N 108.74  0.10 1
68  9 GLY HN N 7.88 0.10 1 

69  10 SER HA  H 4.18  0.05 1 
70  10 SER HB2  H 3.94  0.05 1 
71  10 SER HB3  H 4.22  0.05 1 
72  10 SER CA  C 61.92  0.10 1 
73  10 SER CB  C 63.57  0.10 1 
74  10 SER N  N 118.96  0.10 1 
75  10  SER HN H 8.90 0.10 1

76  11 GLY HA2  H 4.36  0.05 2 
77  11 GLY HA3  H 3.62  0.05 2 
78  11 GLY CA  C 45.19  0.10 1 
79  11 GLY N  N 111.50  0.10 1 
80  11 GLY HN H 9.46 0.10 1

81  12 LYS HA  H 4.46  0.05 1 
82  12 LYS HB2  H 1.53  0.05 1 
83  12 LYS HB3  H 1.84  0.05 1 
84  12 LYS HG2  H 1.98  0.05 2 
85  12 LYS HG3  H 1.94  0.05 2 
86  12 LYS HD2  H 1.41  0.05 2 
88  12 LYS HE2  H 3.02  0.05 2 
90  12 LYS CA  C 55.04  0.10 1 
91  12 LYS CB  C 35.02 0.10 1 
92  12 LYS CG  C 27.43  0.10 1 
93  12 LYS CE  C 42.22  0.10 1 
94  12 LYS N  N 119.61 0.10 1 
95  12  LYS HN H 7.87 0.10 1

96  13 LYS HA  H 4.24  0.05 1 
97  13 LYS HB2  H 1.58  0.05 2 
98  13 LYS HB3  H 2.01  0.05 2 
99  13 LYS HG2  H 1.69  0.05 2 
100  13 LYS HG3  H 1.41  0.05 2 
101  13 LYS CA  C 59.34  0.10 1 
102  13 LYS CB  C 33.49  0.10 1 
103  13 LYS CG  C 25.91  0.10 1 
104  13 LYS N  N 119.07  0.10 1
105  13 LYS HN  H 8.59 0.10 1
 
106  14 TYR HA  H 4.51  0.05 1 
107  14 TYR HB2  H 3.25  0.05 1 
108  14 TYR HB3  H 3.19  0.05 1 
109  14 TYR HD1  H 7.55  0.05 3 
111  14 TYR HE1  H 6.79  0.05 3 
113  14 TYR CA  C 62.49  0.10 1 
114  14 TYR CB  C 38.95  0.10 1 
115  14 TYR N  N 124.01  0.10 1 
116  14 TYR HN H 9.31 0.10 1

117  15 LYS HA  H 3.75  0.05 1 
118  15 LYS HB2  H 1.96  0.05 2 
119  15 LYS HB3  H 1.80 0.05 2 
120  15 LYS HG2  H 1.39 0.05 2 
121  15 LYS HG3  H 1.29 0.05 2 
122  15 LYS HE2  H 2.97  0.05 2 
124  15 LYS CA  C 58.34  0.10 1 
125  15 LYS CB  C 31.75  0.10 1 
126  15 LYS CG  C 24.94  0.10 1 
127  15 LYS CE  C 42.18  0.10 1 
128  15 LYS N  N 123.71  0.10 1 
129  15 LYS HN H 8.80 0.10 1

130  16 GLN HA  H 4.42  0.05 1 
131  16 GLN HB2  H 1.98  0.05 1 
132  16 GLN HB3  H 2.34  0.05 1 
133  16 GLN HG2  H 2.42  0.05 2 
134  16 GLN HG3  H 2.22  0.05 2 
135  16 GLN CA  C 59.78  0.10 1 
136  16 GLN CB  C 30.35 0.10 1 
137  16 GLN CG  C 34.64  0.10 1 
138  16 GLN N  N 114.96  0.10 1 
139  16 GLN HN H 7.50 0.10 1

140  17 CYS HA  H 4.50  0.05 1 
141  17 CYS HB2  H 2.53  0.05 1 
142  17 CYS HB3  H 3.01  0.05 1 
143  17 CYS CA  C 60.34  0.10 1 
144  17 CYS CB  C 29.88  0.10 1 
145  17 CYS N  N 126.14  0.10 1
146  17 CYS HN  H 7.78 0.10 1
 
147  18 HIS HA  H 4.23  0.05 1 
148  18 HIS HB2  H 3.10  0.05 1 
149  18 HIS HB3  H 3.44  0.05 1 
150  18 HIS HD1  H 7.34  0.05 1 
152  18 HIS HE1  H 7.98  0.05 1 
154  18 HIS CA  C 56.66  0.10 1 
155  18 HIS CB  C 26.69 0.10 1 
156  18  HIS HN N 8.85 0.10 1
157  18 HIS N  H 114.75  0.10 1 

158  19 GLY HA2  H 3.88  0.05 2 
159  19 GLY HA3  H 1.95  0.05 2 
160  19 GLY CA  C 44.67  0.10 1 
161  19 GLY N  N 108.74  0.10 1 
162  19 GLY HN H 7.90 0.10 1

163  20 ARG HA  H 4.16  0.05 1 
164  20 ARG HB2  H 1.64  0.05 2 
166  20 ARG HG2  H 1.55  0.05 2 
167  20 ARG HG3  H 1.47  0.05 2 
168  20 ARG HD2  H 3.10  0.05 2 
170  20 ARG CA  C 59.77  0.10 1 
171  20 ARG CB  C 30.98 0.10 1 
172  20 ARG CG  C 27.18  0.10 1 
173  20 ARG CD  C 43.62 0.10 1 
174  20 ARG N  N 119.06  0.10 1 
175  20 ARG NH  H 6.82  0.10 2 

177  21 LEU HA  H 4.37  0.05 1 
178  21 LEU HB2  H 1.63  0.05 2 
180  21 LEU HG  H 1.19  0.05 1 
181  21 LEU HD1  H 0.92  0.05 2 
182  21 LEU HD2  H 0.85  0.05 2 
183  21 LEU CA  C 55.19  0.10 1 
184  21 LEU CB  C 42.14 0.10 1 
185  21 LEU CD1  C 25.16  0.10 2 
186  21 LEU CD2  C 23.29  0.10 2 
187  21 LEU HN H 8.21 0.10 1

188  22 GLN HA  H 4.14  0.05 1 
189  22 GLN HB2  H 1.91  0.05 2 
190  22 GLN HB3  H 2.12  0.05 2 
191  22 GLN HG2  H 2.27  0.05 2 
193  22 GLN CA  C 57.14  0.10 1 
194  22 GLN CB  C 30.70  0.10 1 
195  22 GLN CG  C 34.36  0.10 1 
196  22 GLN N  N 125.01  0.10 1 
197  22 GLN HN H 7.76 0.10 1

stop_

# The following loop is used to define sets of Atom-shift assignment IDs that
# represent related ambiguous assignments taken from the above list of
# assigned chemical shifts.  Each element in the set should be separated by a
# comma, as shown in the example below, and is the assignment ID for a chemical
# shift assignment that has been given as ambiguity code of 4 or 5.  Each set
# indicates that the observed chemical shifts are related to the defined 
# atoms, but have not been assigned uniquely to a specific atom in the set.

loop_
  _Atom_shift_assign_ID_ambiguity   

#
#    Sets of Atom-shift Assignment Ambiguities
               #              
#    ------------------------------------------
# Example:    5,4,7
#
                @


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