data_19738
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19738
_Entry.PDB_ID 2MJV
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 19738
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.849 -0.362 19738
2 1 1 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.241 0.209 19738
3 1 1 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.248 -0.168 19738
4 1 1 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.407 -0.131 19738
5 1 1 . 1 1 3 3 ALA CA C 3 52.660 52.660 51.597 1.063 19738
6 1 1 . 1 1 3 3 ALA CB C 3 18.980 18.980 20.724 -1.744 19738
7 1 1 . 1 1 3 3 ALA H H 3 8.544 8.544 7.538 1.006 19738
8 1 1 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.180 0.135 19738
9 1 1 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.793 0.807 19738
10 1 1 . 1 1 4 4 GLN H H 4 8.452 8.452 8.777 -0.325 19738
11 1 1 . 1 1 11 11 SER HA H 11 4.430 4.430 4.161 0.269 19738
12 1 1 . 1 1 11 11 SER CA C 11 58.350 58.350 59.046 -0.696 19738
13 1 1 . 1 1 11 11 SER CB C 11 63.930 63.930 62.761 1.169 19738
14 1 1 . 1 1 11 11 SER H H 11 8.448 8.448 8.590 -0.142 19738
15 1 2 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.666 -0.179 19738
16 1 2 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.805 0.645 19738
17 1 2 . 1 1 2 2 PRO CB C 2 32.080 32.080 30.848 1.232 19738
18 1 2 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.180 0.096 19738
19 1 2 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.578 -0.918 19738
20 1 2 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.544 -0.564 19738
21 1 2 . 1 1 3 3 ALA H H 3 8.544 8.544 8.099 0.445 19738
22 1 2 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.255 0.060 19738
23 1 2 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.145 0.455 19738
24 1 2 . 1 1 4 4 GLN H H 4 8.452 8.452 8.504 -0.052 19738
25 1 2 . 1 1 11 11 SER HA H 11 4.430 4.430 4.207 0.223 19738
26 1 2 . 1 1 11 11 SER CA C 11 58.350 58.350 59.993 -1.643 19738
27 1 2 . 1 1 11 11 SER CB C 11 63.930 63.930 61.825 2.105 19738
28 1 2 . 1 1 11 11 SER H H 11 8.448 8.448 8.458 -0.010 19738
29 1 3 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.418 0.069 19738
30 1 3 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.972 0.478 19738
31 1 3 . 1 1 2 2 PRO CB C 2 32.080 32.080 31.672 0.408 19738
32 1 3 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.313 -0.037 19738
33 1 3 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.335 0.325 19738
34 1 3 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.589 -0.609 19738
35 1 3 . 1 1 3 3 ALA H H 3 8.544 8.544 8.289 0.255 19738
36 1 3 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.195 0.120 19738
37 1 3 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.881 0.719 19738
38 1 3 . 1 1 4 4 GLN H H 4 8.452 8.452 8.783 -0.331 19738
39 1 3 . 1 1 11 11 SER HA H 11 4.430 4.430 4.600 -0.170 19738
40 1 3 . 1 1 11 11 SER CA C 11 58.350 58.350 58.682 -0.332 19738
41 1 3 . 1 1 11 11 SER CB C 11 63.930 63.930 61.696 2.234 19738
42 1 3 . 1 1 11 11 SER H H 11 8.448 8.448 8.695 -0.247 19738
43 1 4 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.870 -0.383 19738
44 1 4 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.845 -0.395 19738
45 1 4 . 1 1 2 2 PRO CB C 2 32.080 32.080 31.660 0.420 19738
46 1 4 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.499 -0.223 19738
47 1 4 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.864 -1.204 19738
48 1 4 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.573 -0.593 19738
49 1 4 . 1 1 3 3 ALA H H 3 8.544 8.544 8.214 0.330 19738
50 1 4 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.484 -0.169 19738
51 1 4 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.005 0.595 19738
52 1 4 . 1 1 4 4 GLN H H 4 8.452 8.452 9.212 -0.760 19738
53 1 4 . 1 1 11 11 SER HA H 11 4.430 4.430 4.336 0.094 19738
54 1 4 . 1 1 11 11 SER CA C 11 58.350 58.350 59.491 -1.141 19738
55 1 4 . 1 1 11 11 SER CB C 11 63.930 63.930 63.931 -0.001 19738
56 1 4 . 1 1 11 11 SER H H 11 8.448 8.448 8.558 -0.110 19738
57 1 5 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.700 -0.213 19738
58 1 5 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.295 0.155 19738
59 1 5 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.414 -0.334 19738
60 1 5 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.489 -0.213 19738
61 1 5 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.314 -0.654 19738
62 1 5 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.728 -0.748 19738
63 1 5 . 1 1 3 3 ALA H H 3 8.544 8.544 7.965 0.579 19738
64 1 5 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.286 0.029 19738
65 1 5 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.438 0.162 19738
66 1 5 . 1 1 4 4 GLN H H 4 8.452 8.452 8.397 0.055 19738
67 1 5 . 1 1 11 11 SER HA H 11 4.430 4.430 4.104 0.326 19738
68 1 5 . 1 1 11 11 SER CA C 11 58.350 58.350 59.575 -1.225 19738
69 1 5 . 1 1 11 11 SER CB C 11 63.930 63.930 62.829 1.101 19738
70 1 5 . 1 1 11 11 SER H H 11 8.448 8.448 8.455 -0.007 19738
71 1 6 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.504 -0.017 19738
72 1 6 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.701 -0.251 19738
73 1 6 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.281 -0.201 19738
74 1 6 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.468 -0.192 19738
75 1 6 . 1 1 3 3 ALA CA C 3 52.660 52.660 51.955 0.705 19738
76 1 6 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.160 -0.180 19738
77 1 6 . 1 1 3 3 ALA H H 3 8.544 8.544 7.792 0.752 19738
78 1 6 . 1 1 4 4 GLN HA H 4 4.315 4.315 3.858 0.457 19738
79 1 6 . 1 1 4 4 GLN CB C 4 29.600 29.600 27.944 1.656 19738
80 1 6 . 1 1 4 4 GLN H H 4 8.452 8.452 8.565 -0.113 19738
81 1 6 . 1 1 11 11 SER HA H 11 4.430 4.430 4.249 0.181 19738
82 1 6 . 1 1 11 11 SER CA C 11 58.350 58.350 58.477 -0.127 19738
83 1 6 . 1 1 11 11 SER CB C 11 63.930 63.930 63.205 0.725 19738
84 1 6 . 1 1 11 11 SER H H 11 8.448 8.448 8.108 0.340 19738
85 1 7 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.662 -0.175 19738
86 1 7 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.999 0.451 19738
87 1 7 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.252 -0.171 19738
88 1 7 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.411 -0.135 19738
89 1 7 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.744 -0.084 19738
90 1 7 . 1 1 3 3 ALA CB C 3 18.980 18.980 20.343 -1.363 19738
91 1 7 . 1 1 3 3 ALA H H 3 8.544 8.544 7.831 0.713 19738
92 1 7 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.304 0.011 19738
93 1 7 . 1 1 4 4 GLN CB C 4 29.600 29.600 30.217 -0.617 19738
94 1 7 . 1 1 4 4 GLN H H 4 8.452 8.452 8.357 0.095 19738
95 1 7 . 1 1 11 11 SER HA H 11 4.430 4.430 4.205 0.225 19738
96 1 7 . 1 1 11 11 SER CA C 11 58.350 58.350 59.433 -1.083 19738
97 1 7 . 1 1 11 11 SER CB C 11 63.930 63.930 62.634 1.296 19738
98 1 7 . 1 1 11 11 SER H H 11 8.448 8.448 8.905 -0.457 19738
99 1 8 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.533 -0.046 19738
100 1 8 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.826 -0.376 19738
101 1 8 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.137 -0.057 19738
102 1 8 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.487 -0.211 19738
103 1 8 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.649 -0.989 19738
104 1 8 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.961 -0.981 19738
105 1 8 . 1 1 3 3 ALA H H 3 8.544 8.544 7.996 0.548 19738
106 1 8 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.275 0.040 19738
107 1 8 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.814 0.786 19738
108 1 8 . 1 1 4 4 GLN H H 4 8.452 8.452 8.711 -0.259 19738
109 1 8 . 1 1 11 11 SER HA H 11 4.430 4.430 4.236 0.194 19738
110 1 8 . 1 1 11 11 SER CA C 11 58.350 58.350 59.221 -0.871 19738
111 1 8 . 1 1 11 11 SER CB C 11 63.930 63.930 62.592 1.338 19738
112 1 8 . 1 1 11 11 SER H H 11 8.448 8.448 8.886 -0.438 19738
113 1 9 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.567 -0.080 19738
114 1 9 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.829 0.621 19738
115 1 9 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.329 -0.249 19738
116 1 9 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.520 -0.244 19738
117 1 9 . 1 1 3 3 ALA CA C 3 52.660 52.660 51.433 1.227 19738
118 1 9 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.554 -0.574 19738
119 1 9 . 1 1 3 3 ALA H H 3 8.544 8.544 8.170 0.374 19738
120 1 9 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.324 -0.009 19738
121 1 9 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.352 0.248 19738
122 1 9 . 1 1 4 4 GLN H H 4 8.452 8.452 8.882 -0.430 19738
123 1 9 . 1 1 11 11 SER HA H 11 4.430 4.430 4.299 0.131 19738
124 1 9 . 1 1 11 11 SER CA C 11 58.350 58.350 59.658 -1.308 19738
125 1 9 . 1 1 11 11 SER CB C 11 63.930 63.930 63.524 0.406 19738
126 1 9 . 1 1 11 11 SER H H 11 8.448 8.448 8.587 -0.139 19738
127 1 10 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.666 -0.179 19738
128 1 10 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.322 0.128 19738
129 1 10 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.396 -0.316 19738
130 1 10 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.494 -0.218 19738
131 1 10 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.485 -0.825 19738
132 1 10 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.882 -0.902 19738
133 1 10 . 1 1 3 3 ALA H H 3 8.544 8.544 7.983 0.561 19738
134 1 10 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.269 0.047 19738
135 1 10 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.272 0.328 19738
136 1 10 . 1 1 4 4 GLN H H 4 8.452 8.452 8.371 0.081 19738
137 1 10 . 1 1 11 11 SER HA H 11 4.430 4.430 4.360 0.070 19738
138 1 10 . 1 1 11 11 SER CA C 11 58.350 58.350 58.285 0.065 19738
139 1 10 . 1 1 11 11 SER CB C 11 63.930 63.930 63.714 0.216 19738
140 1 10 . 1 1 11 11 SER H H 11 8.448 8.448 8.336 0.112 19738
141 1 11 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.636 -0.149 19738
142 1 11 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.461 0.989 19738
143 1 11 . 1 1 2 2 PRO CB C 2 32.080 32.080 30.654 1.425 19738
144 1 11 . 1 1 3 3 ALA HA H 3 4.276 4.276 3.896 0.380 19738
145 1 11 . 1 1 3 3 ALA CA C 3 52.660 52.660 54.340 -1.681 19738
146 1 11 . 1 1 3 3 ALA CB C 3 18.980 18.980 17.617 1.363 19738
147 1 11 . 1 1 3 3 ALA H H 3 8.544 8.544 8.032 0.512 19738
148 1 11 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.301 0.014 19738
149 1 11 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.923 -0.323 19738
150 1 11 . 1 1 4 4 GLN H H 4 8.452 8.452 8.719 -0.267 19738
151 1 11 . 1 1 11 11 SER HA H 11 4.430 4.430 4.223 0.207 19738
152 1 11 . 1 1 11 11 SER CA C 11 58.350 58.350 59.083 -0.733 19738
153 1 11 . 1 1 11 11 SER CB C 11 63.930 63.930 62.669 1.261 19738
154 1 11 . 1 1 11 11 SER H H 11 8.448 8.448 8.851 -0.403 19738
155 1 12 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.511 -0.024 19738
156 1 12 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.714 -0.264 19738
157 1 12 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.480 -0.399 19738
158 1 12 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.285 -0.009 19738
159 1 12 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.345 0.315 19738
160 1 12 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.335 -0.356 19738
161 1 12 . 1 1 3 3 ALA H H 3 8.544 8.544 7.608 0.936 19738
162 1 12 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.531 -0.216 19738
163 1 12 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.871 0.729 19738
164 1 12 . 1 1 4 4 GLN H H 4 8.452 8.452 9.625 -1.173 19738
165 1 12 . 1 1 11 11 SER HA H 11 4.430 4.430 4.369 0.061 19738
166 1 12 . 1 1 11 11 SER CA C 11 58.350 58.350 58.294 0.056 19738
167 1 12 . 1 1 11 11 SER CB C 11 63.930 63.930 63.631 0.299 19738
168 1 12 . 1 1 11 11 SER H H 11 8.448 8.448 8.372 0.076 19738
169 1 13 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.819 -0.332 19738
170 1 13 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.160 0.290 19738
171 1 13 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.506 -0.426 19738
172 1 13 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.416 -0.140 19738
173 1 13 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.497 0.163 19738
174 1 13 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.674 -0.694 19738
175 1 13 . 1 1 3 3 ALA H H 3 8.544 8.544 7.701 0.843 19738
176 1 13 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.266 0.049 19738
177 1 13 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.550 0.050 19738
178 1 13 . 1 1 4 4 GLN H H 4 8.452 8.452 8.381 0.071 19738
179 1 13 . 1 1 11 11 SER HA H 11 4.430 4.430 4.145 0.285 19738
180 1 13 . 1 1 11 11 SER CA C 11 58.350 58.350 59.908 -1.558 19738
181 1 13 . 1 1 11 11 SER CB C 11 63.930 63.930 61.634 2.296 19738
182 1 13 . 1 1 11 11 SER H H 11 8.448 8.448 8.768 -0.320 19738
183 1 14 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.722 -0.235 19738
184 1 14 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.732 0.718 19738
185 1 14 . 1 1 2 2 PRO CB C 2 32.080 32.080 31.820 0.260 19738
186 1 14 . 1 1 3 3 ALA HA H 3 4.276 4.276 3.870 0.406 19738
187 1 14 . 1 1 3 3 ALA CA C 3 52.660 52.660 54.372 -1.712 19738
188 1 14 . 1 1 3 3 ALA CB C 3 18.980 18.980 17.548 1.432 19738
189 1 14 . 1 1 3 3 ALA H H 3 8.544 8.544 7.911 0.633 19738
190 1 14 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.333 -0.018 19738
191 1 14 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.973 -0.373 19738
192 1 14 . 1 1 4 4 GLN H H 4 8.452 8.452 8.768 -0.316 19738
193 1 14 . 1 1 11 11 SER HA H 11 4.430 4.430 4.197 0.233 19738
194 1 14 . 1 1 11 11 SER CA C 11 58.350 58.350 58.461 -0.111 19738
195 1 14 . 1 1 11 11 SER CB C 11 63.930 63.930 63.141 0.789 19738
196 1 14 . 1 1 11 11 SER H H 11 8.448 8.448 8.196 0.252 19738
197 1 15 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.654 -0.167 19738
198 1 15 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.819 0.631 19738
199 1 15 . 1 1 2 2 PRO CB C 2 32.080 32.080 30.379 1.701 19738
200 1 15 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.172 0.104 19738
201 1 15 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.691 -1.032 19738
202 1 15 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.653 -0.673 19738
203 1 15 . 1 1 3 3 ALA H H 3 8.544 8.544 8.055 0.489 19738
204 1 15 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.244 0.071 19738
205 1 15 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.937 0.663 19738
206 1 15 . 1 1 4 4 GLN H H 4 8.452 8.452 8.486 -0.034 19738
207 1 15 . 1 1 11 11 SER HA H 11 4.430 4.430 4.195 0.235 19738
208 1 15 . 1 1 11 11 SER CA C 11 58.350 58.350 59.282 -0.933 19738
209 1 15 . 1 1 11 11 SER CB C 11 63.930 63.930 63.071 0.859 19738
210 1 15 . 1 1 11 11 SER H H 11 8.448 8.448 8.483 -0.035 19738
211 1 16 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.690 -0.203 19738
212 1 16 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.696 -0.246 19738
213 1 16 . 1 1 2 2 PRO CB C 2 32.080 32.080 31.908 0.172 19738
214 1 16 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.383 -0.107 19738
215 1 16 . 1 1 3 3 ALA CA C 3 52.660 52.660 51.911 0.749 19738
216 1 16 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.631 -0.651 19738
217 1 16 . 1 1 3 3 ALA H H 3 8.544 8.544 7.843 0.701 19738
218 1 16 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.053 0.262 19738
219 1 16 . 1 1 4 4 GLN CB C 4 29.600 29.600 27.857 1.743 19738
220 1 16 . 1 1 4 4 GLN H H 4 8.452 8.452 8.787 -0.335 19738
221 1 16 . 1 1 11 11 SER HA H 11 4.430 4.430 4.161 0.269 19738
222 1 16 . 1 1 11 11 SER CA C 11 58.350 58.350 59.588 -1.238 19738
223 1 16 . 1 1 11 11 SER CB C 11 63.930 63.930 62.777 1.153 19738
224 1 16 . 1 1 11 11 SER H H 11 8.448 8.448 8.325 0.123 19738
225 1 17 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.457 0.030 19738
226 1 17 . 1 1 2 2 PRO CA C 2 63.450 63.450 62.916 0.534 19738
227 1 17 . 1 1 2 2 PRO CB C 2 32.080 32.080 30.933 1.147 19738
228 1 17 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.617 -0.341 19738
229 1 17 . 1 1 3 3 ALA CA C 3 52.660 52.660 51.594 1.066 19738
230 1 17 . 1 1 3 3 ALA CB C 3 18.980 18.980 20.334 -1.354 19738
231 1 17 . 1 1 3 3 ALA H H 3 8.544 8.544 8.074 0.470 19738
232 1 17 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.291 0.024 19738
233 1 17 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.852 0.748 19738
234 1 17 . 1 1 4 4 GLN H H 4 8.452 8.452 8.966 -0.514 19738
235 1 17 . 1 1 11 11 SER HA H 11 4.430 4.430 4.042 0.388 19738
236 1 17 . 1 1 11 11 SER CA C 11 58.350 58.350 59.226 -0.876 19738
237 1 17 . 1 1 11 11 SER CB C 11 63.930 63.930 62.979 0.951 19738
238 1 17 . 1 1 11 11 SER H H 11 8.448 8.448 8.283 0.165 19738
239 1 18 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.632 -0.145 19738
240 1 18 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.708 -0.258 19738
241 1 18 . 1 1 2 2 PRO CB C 2 32.080 32.080 32.131 -0.051 19738
242 1 18 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.515 -0.239 19738
243 1 18 . 1 1 3 3 ALA CA C 3 52.660 52.660 53.536 -0.876 19738
244 1 18 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.769 -0.789 19738
245 1 18 . 1 1 3 3 ALA H H 3 8.544 8.544 8.075 0.469 19738
246 1 18 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.296 0.019 19738
247 1 18 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.358 0.242 19738
248 1 18 . 1 1 4 4 GLN H H 4 8.452 8.452 8.595 -0.143 19738
249 1 18 . 1 1 11 11 SER HA H 11 4.430 4.430 4.444 -0.014 19738
250 1 18 . 1 1 11 11 SER CA C 11 58.350 58.350 58.471 -0.121 19738
251 1 18 . 1 1 11 11 SER CB C 11 63.930 63.930 63.811 0.119 19738
252 1 18 . 1 1 11 11 SER H H 11 8.448 8.448 8.239 0.209 19738
253 1 19 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.714 -0.227 19738
254 1 19 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.037 0.413 19738
255 1 19 . 1 1 2 2 PRO CB C 2 32.080 32.080 30.569 1.511 19738
256 1 19 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.353 -0.077 19738
257 1 19 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.692 -0.032 19738
258 1 19 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.764 -0.784 19738
259 1 19 . 1 1 3 3 ALA H H 3 8.544 8.544 7.918 0.626 19738
260 1 19 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.494 -0.179 19738
261 1 19 . 1 1 4 4 GLN CB C 4 29.600 29.600 28.728 0.872 19738
262 1 19 . 1 1 4 4 GLN H H 4 8.452 8.452 9.202 -0.750 19738
263 1 19 . 1 1 11 11 SER HA H 11 4.430 4.430 4.243 0.187 19738
264 1 19 . 1 1 11 11 SER CA C 11 58.350 58.350 59.902 -1.552 19738
265 1 19 . 1 1 11 11 SER CB C 11 63.930 63.930 63.538 0.392 19738
266 1 19 . 1 1 11 11 SER H H 11 8.448 8.448 8.614 -0.166 19738
267 1 20 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.782 -0.295 19738
268 1 20 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.427 0.023 19738
269 1 20 . 1 1 2 2 PRO CB C 2 32.080 32.080 31.471 0.609 19738
270 1 20 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.333 -0.057 19738
271 1 20 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.474 0.186 19738
272 1 20 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.926 -0.946 19738
273 1 20 . 1 1 3 3 ALA H H 3 8.544 8.544 7.716 0.828 19738
274 1 20 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.267 0.048 19738
275 1 20 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.507 0.093 19738
276 1 20 . 1 1 4 4 GLN H H 4 8.452 8.452 8.498 -0.046 19738
277 1 20 . 1 1 11 11 SER HA H 11 4.430 4.430 4.132 0.298 19738
278 1 20 . 1 1 11 11 SER CA C 11 58.350 58.350 59.228 -0.879 19738
279 1 20 . 1 1 11 11 SER CB C 11 63.930 63.930 62.077 1.853 19738
280 1 20 . 1 1 11 11 SER H H 11 8.448 8.448 8.635 -0.187 19738
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19738
2 1 1 "Average Difference" HA 4 0.244 0.022 0.281 19738
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19738
4 1 1 "Average Difference" CA 3 0.743 -0.192 0.880 19738
5 1 1 "Average Difference" CB 4 1.128 -0.016 1.302 19738
6 1 1 "Average Difference" HN 3 0.616 -0.179 0.722 19738
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19738
8 1 2 "Average Difference" HA 4 0.154 -0.050 0.168 19738
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19738
10 1 2 "Average Difference" CA 3 1.149 0.639 1.169 19738
11 1 2 "Average Difference" CB 4 1.272 -0.807 1.136 19738
12 1 2 "Average Difference" HN 3 0.259 -0.128 0.275 19738
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19738
14 1 3 "Average Difference" HA 4 0.111 0.005 0.128 19738
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19738
16 1 3 "Average Difference" CA 3 0.385 -0.157 0.431 19738
17 1 3 "Average Difference" CB 4 1.229 -0.688 1.176 19738
18 1 3 "Average Difference" HN 3 0.280 0.108 0.317 19738
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19738
20 1 4 "Average Difference" HA 4 0.242 0.170 0.198 19738
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19738
22 1 4 "Average Difference" CA 3 0.984 0.913 0.450 19738
23 1 4 "Average Difference" CB 4 0.469 -0.105 0.528 19738
24 1 4 "Average Difference" HN 3 0.483 0.180 0.549 19738
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19738
26 1 5 "Average Difference" HA 4 0.223 0.018 0.256 19738
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19738
28 1 5 "Average Difference" CA 3 0.807 0.574 0.694 19738
29 1 5 "Average Difference" CB 4 0.691 -0.045 0.796 19738
30 1 5 "Average Difference" HN 3 0.336 -0.209 0.322 19738
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19738
32 1 6 "Average Difference" HA 4 0.264 -0.107 0.278 19738
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19738
34 1 6 "Average Difference" CA 3 0.438 -0.109 0.520 19738
35 1 6 "Average Difference" CB 4 0.914 -0.500 0.883 19738
36 1 6 "Average Difference" HN 3 0.481 -0.327 0.433 19738
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19738
38 1 7 "Average Difference" HA 4 0.158 0.018 0.181 19738
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19738
40 1 7 "Average Difference" CA 3 0.679 0.239 0.779 19738
41 1 7 "Average Difference" CB 4 0.993 0.214 1.120 19738
42 1 7 "Average Difference" HN 3 0.492 -0.117 0.585 19738
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19738
44 1 8 "Average Difference" HA 4 0.147 0.006 0.169 19738
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19738
46 1 8 "Average Difference" CA 3 0.791 0.745 0.325 19738
47 1 8 "Average Difference" CB 4 0.918 -0.271 1.013 19738
48 1 8 "Average Difference" HN 3 0.432 0.050 0.525 19738
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19738
50 1 9 "Average Difference" HA 4 0.144 0.050 0.156 19738
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19738
52 1 9 "Average Difference" CA 3 1.096 -0.180 1.324 19738
53 1 9 "Average Difference" CB 4 0.393 0.042 0.451 19738
54 1 9 "Average Difference" HN 3 0.338 0.065 0.407 19738
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19738
56 1 10 "Average Difference" HA 4 0.147 0.070 0.149 19738
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19738
58 1 10 "Average Difference" CA 3 0.484 0.211 0.533 19738
59 1 10 "Average Difference" CB 4 0.516 0.168 0.564 19738
60 1 10 "Average Difference" HN 3 0.333 -0.251 0.268 19738
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19738
62 1 11 "Average Difference" HA 4 0.229 -0.113 0.230 19738
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19738
64 1 11 "Average Difference" CA 3 1.203 0.475 1.353 19738
65 1 11 "Average Difference" CB 4 1.182 -0.932 0.839 19738
66 1 11 "Average Difference" HN 3 0.406 0.053 0.494 19738
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19738
68 1 12 "Average Difference" HA 4 0.113 0.047 0.119 19738
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19738
70 1 12 "Average Difference" CA 3 0.239 -0.036 0.290 19738
71 1 12 "Average Difference" CB 4 0.476 -0.068 0.544 19738
72 1 12 "Average Difference" HN 3 0.867 0.054 1.060 19738
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19738
74 1 13 "Average Difference" HA 4 0.231 0.034 0.264 19738
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19738
76 1 13 "Average Difference" CA 3 0.920 0.368 1.032 19738
77 1 13 "Average Difference" CB 4 1.218 -0.306 1.362 19738
78 1 13 "Average Difference" HN 3 0.522 -0.198 0.592 19738
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19738
80 1 14 "Average Difference" HA 4 0.262 -0.097 0.281 19738
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19738
82 1 14 "Average Difference" CA 3 1.074 0.368 1.235 19738
83 1 14 "Average Difference" CB 4 0.849 -0.527 0.768 19738
84 1 14 "Average Difference" HN 3 0.434 -0.190 0.477 19738
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19738
86 1 15 "Average Difference" HA 4 0.157 -0.061 0.167 19738
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19738
88 1 15 "Average Difference" CA 3 0.881 0.445 0.932 19738
89 1 15 "Average Difference" CB 4 1.064 -0.638 0.983 19738
90 1 15 "Average Difference" HN 3 0.283 -0.140 0.302 19738
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19738
92 1 16 "Average Difference" HA 4 0.220 -0.055 0.246 19738
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19738
94 1 16 "Average Difference" CA 3 0.847 0.245 0.993 19738
95 1 16 "Average Difference" CB 4 1.098 -0.604 1.059 19738
96 1 16 "Average Difference" HN 3 0.454 -0.163 0.519 19738
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19738
98 1 17 "Average Difference" HA 4 0.259 -0.026 0.298 19738
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19738
100 1 17 "Average Difference" CA 3 0.854 -0.241 1.004 19738
101 1 17 "Average Difference" CB 4 1.074 -0.373 1.163 19738
102 1 17 "Average Difference" HN 3 0.413 -0.040 0.504 19738
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19738
104 1 18 "Average Difference" HA 4 0.140 0.095 0.119 19738
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19738
106 1 18 "Average Difference" CA 3 0.532 0.418 0.402 19738
107 1 18 "Average Difference" CB 4 0.418 0.120 0.462 19738
108 1 18 "Average Difference" HN 3 0.308 -0.178 0.307 19738
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19738
110 1 19 "Average Difference" HA 4 0.176 0.074 0.185 19738
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19738
112 1 19 "Average Difference" CA 3 0.927 0.390 1.030 19738
113 1 19 "Average Difference" CB 4 0.976 -0.498 0.970 19738
114 1 19 "Average Difference" HN 3 0.572 0.097 0.691 19738
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19738
116 1 20 "Average Difference" HA 4 0.213 0.001 0.246 19738
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19738
118 1 20 "Average Difference" CA 3 0.519 0.223 0.573 19738
119 1 20 "Average Difference" CB 4 1.085 -0.402 1.163 19738
120 1 20 "Average Difference" HN 3 0.491 -0.198 0.550 19738
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 19738
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 PRO HA H 2 4.487 4.487 4.653 -0.166 19738
2 1 . 1 1 2 2 PRO CA C 2 63.450 63.450 63.225 0.225 19738
3 1 . 1 1 2 2 PRO CB C 2 32.080 32.080 31.754 0.326 19738
4 1 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.355 -0.079 19738
5 1 . 1 1 3 3 ALA CA C 3 52.660 52.660 52.870 -0.210 19738
6 1 . 1 1 3 3 ALA CB C 3 18.980 18.980 19.565 -0.585 19738
7 1 . 1 1 3 3 ALA H H 3 8.544 8.544 7.941 0.603 19738
8 1 . 1 1 4 4 GLN HA H 4 4.315 4.315 4.275 0.040 19738
9 1 . 1 1 4 4 GLN CB C 4 29.600 29.600 29.121 0.479 19738
10 1 . 1 1 4 4 GLN H H 4 8.452 8.452 8.729 -0.277 19738
11 1 . 1 1 11 11 SER HA H 11 4.430 4.430 4.245 0.185 19738
12 1 . 1 1 11 11 SER CA C 11 58.350 58.350 59.165 -0.815 19738
13 1 . 1 1 11 11 SER CB C 11 63.930 63.930 62.902 1.028 19738
14 1 . 1 1 11 11 SER H H 11 8.448 8.448 8.517 -0.069 19738
stop_
save_