data_19556
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19556
_Entry.PDB_ID 2MFO
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 19556
_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 PHE N N 2 120.350 120.350 121.019 -0.669 19556
2 1 1 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.519 0.086 19556
3 1 1 . 1 1 2 2 PHE CB C 2 39.833 39.833 39.125 0.708 19556
4 1 1 . 1 1 2 2 PHE H H 2 8.627 8.627 8.266 0.361 19556
5 1 1 . 1 1 6 6 THR N N 6 118.770 118.770 114.654 4.116 19556
6 1 1 . 1 1 6 6 THR HA H 6 4.607 4.607 4.721 -0.114 19556
7 1 1 . 1 1 6 6 THR CA C 6 57.971 57.971 59.812 -1.841 19556
8 1 1 . 1 1 6 6 THR CB C 6 70.090 70.090 69.106 0.984 19556
9 1 1 . 1 1 6 6 THR H H 6 8.237 8.237 7.713 0.523 19556
10 1 1 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.719 -0.318 19556
11 1 1 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.978 0.371 19556
12 1 1 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.311 -0.134 19556
13 1 1 . 1 1 8 8 GLY N N 8 109.872 109.872 108.227 1.645 19556
14 1 1 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.216 -0.044 19556
15 1 1 . 1 1 8 8 GLY H H 8 8.537 8.537 8.691 -0.154 19556
16 1 1 . 1 1 9 9 ASN N N 9 118.554 118.554 113.873 4.681 19556
17 1 1 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.240 0.522 19556
18 1 1 . 1 1 9 9 ASN H H 9 8.265 8.265 8.436 -0.171 19556
19 1 1 . 1 1 13 13 VAL N N 13 119.253 119.253 122.886 -3.633 19556
20 1 1 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.297 -0.173 19556
21 1 1 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.213 0.222 19556
22 1 1 . 1 1 13 13 VAL H H 13 7.984 7.984 7.920 0.064 19556
23 1 1 . 1 1 14 14 GLY N N 14 109.127 109.127 113.675 -4.548 19556
24 1 1 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.830 0.342 19556
25 1 1 . 1 1 14 14 GLY H H 14 8.437 8.437 8.101 0.336 19556
26 1 2 . 1 1 2 2 PHE N N 2 120.350 120.350 120.897 -0.547 19556
27 1 2 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.469 0.136 19556
28 1 2 . 1 1 2 2 PHE CB C 2 39.833 39.833 39.080 0.753 19556
29 1 2 . 1 1 2 2 PHE H H 2 8.627 8.627 8.154 0.473 19556
30 1 2 . 1 1 6 6 THR N N 6 118.770 118.770 110.633 8.137 19556
31 1 2 . 1 1 6 6 THR HA H 6 4.607 4.607 4.076 0.531 19556
32 1 2 . 1 1 6 6 THR CA C 6 57.971 57.971 62.017 -4.045 19556
33 1 2 . 1 1 6 6 THR CB C 6 70.090 70.090 68.185 1.905 19556
34 1 2 . 1 1 6 6 THR H H 6 8.237 8.237 8.482 -0.245 19556
35 1 2 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.314 0.087 19556
36 1 2 . 1 1 7 7 PRO CA C 7 63.349 63.349 64.017 -0.668 19556
37 1 2 . 1 1 7 7 PRO CB C 7 32.177 32.177 31.388 0.789 19556
38 1 2 . 1 1 8 8 GLY N N 8 109.872 109.872 111.968 -2.096 19556
39 1 2 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.897 0.275 19556
40 1 2 . 1 1 8 8 GLY H H 8 8.537 8.537 8.770 -0.233 19556
41 1 2 . 1 1 9 9 ASN N N 9 118.554 118.554 120.387 -1.833 19556
42 1 2 . 1 1 9 9 ASN HA H 9 4.762 4.762 5.006 -0.244 19556
43 1 2 . 1 1 9 9 ASN H H 9 8.265 8.265 8.003 0.262 19556
44 1 2 . 1 1 13 13 VAL N N 13 119.253 119.253 119.835 -0.582 19556
45 1 2 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.218 -0.094 19556
46 1 2 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.554 -0.119 19556
47 1 2 . 1 1 13 13 VAL H H 13 7.984 7.984 7.942 0.042 19556
48 1 2 . 1 1 14 14 GLY N N 14 109.127 109.127 108.638 0.489 19556
49 1 2 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.553 -0.381 19556
50 1 2 . 1 1 14 14 GLY H H 14 8.437 8.437 8.178 0.259 19556
51 1 3 . 1 1 2 2 PHE N N 2 120.350 120.350 122.125 -1.775 19556
52 1 3 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.445 0.160 19556
53 1 3 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.963 0.870 19556
54 1 3 . 1 1 2 2 PHE H H 2 8.627 8.627 8.416 0.211 19556
55 1 3 . 1 1 6 6 THR N N 6 118.770 118.770 117.114 1.656 19556
56 1 3 . 1 1 6 6 THR HA H 6 4.607 4.607 4.342 0.265 19556
57 1 3 . 1 1 6 6 THR CA C 6 57.971 57.971 61.154 -3.183 19556
58 1 3 . 1 1 6 6 THR CB C 6 70.090 70.090 69.415 0.675 19556
59 1 3 . 1 1 6 6 THR H H 6 8.237 8.237 8.351 -0.114 19556
60 1 3 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.477 -0.076 19556
61 1 3 . 1 1 7 7 PRO CA C 7 63.349 63.349 63.207 0.142 19556
62 1 3 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.176 0.001 19556
63 1 3 . 1 1 8 8 GLY N N 8 109.872 109.872 109.153 0.719 19556
64 1 3 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.462 -0.290 19556
65 1 3 . 1 1 8 8 GLY H H 8 8.537 8.537 8.819 -0.282 19556
66 1 3 . 1 1 9 9 ASN N N 9 118.554 118.554 117.899 0.655 19556
67 1 3 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.818 -0.056 19556
68 1 3 . 1 1 9 9 ASN H H 9 8.265 8.265 7.793 0.472 19556
69 1 3 . 1 1 13 13 VAL N N 13 119.253 119.253 120.843 -1.590 19556
70 1 3 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.190 -0.066 19556
71 1 3 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.295 0.140 19556
72 1 3 . 1 1 13 13 VAL H H 13 7.984 7.984 8.074 -0.090 19556
73 1 3 . 1 1 14 14 GLY N N 14 109.127 109.127 109.864 -0.737 19556
74 1 3 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.984 -0.812 19556
75 1 3 . 1 1 14 14 GLY H H 14 8.437 8.437 8.478 -0.041 19556
76 1 4 . 1 1 2 2 PHE N N 2 120.350 120.350 119.756 0.594 19556
77 1 4 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.899 -0.294 19556
78 1 4 . 1 1 2 2 PHE CB C 2 39.833 39.833 40.059 -0.226 19556
79 1 4 . 1 1 2 2 PHE H H 2 8.627 8.627 8.106 0.521 19556
80 1 4 . 1 1 6 6 THR N N 6 118.770 118.770 116.800 1.970 19556
81 1 4 . 1 1 6 6 THR HA H 6 4.607 4.607 4.454 0.153 19556
82 1 4 . 1 1 6 6 THR CA C 6 57.971 57.971 61.692 -3.721 19556
83 1 4 . 1 1 6 6 THR CB C 6 70.090 70.090 69.834 0.256 19556
84 1 4 . 1 1 6 6 THR H H 6 8.237 8.237 7.727 0.510 19556
85 1 4 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.680 -0.279 19556
86 1 4 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.523 0.826 19556
87 1 4 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.269 -0.092 19556
88 1 4 . 1 1 8 8 GLY N N 8 109.872 109.872 106.409 3.463 19556
89 1 4 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.792 0.380 19556
90 1 4 . 1 1 8 8 GLY H H 8 8.537 8.537 8.544 -0.007 19556
91 1 4 . 1 1 9 9 ASN N N 9 118.554 118.554 117.594 0.960 19556
92 1 4 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.554 0.208 19556
93 1 4 . 1 1 9 9 ASN H H 9 8.265 8.265 8.427 -0.162 19556
94 1 4 . 1 1 13 13 VAL N N 13 119.253 119.253 121.784 -2.531 19556
95 1 4 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.529 -0.405 19556
96 1 4 . 1 1 13 13 VAL CA C 13 62.435 62.435 60.813 1.622 19556
97 1 4 . 1 1 13 13 VAL H H 13 7.984 7.984 7.950 0.034 19556
98 1 4 . 1 1 14 14 GLY N N 14 109.127 109.127 111.208 -2.081 19556
99 1 4 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.807 0.365 19556
100 1 4 . 1 1 14 14 GLY H H 14 8.437 8.437 8.303 0.134 19556
101 1 5 . 1 1 2 2 PHE N N 2 120.350 120.350 121.071 -0.721 19556
102 1 5 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.775 -0.170 19556
103 1 5 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.790 1.043 19556
104 1 5 . 1 1 2 2 PHE H H 2 8.627 8.627 8.488 0.139 19556
105 1 5 . 1 1 6 6 THR N N 6 118.770 118.770 115.121 3.649 19556
106 1 5 . 1 1 6 6 THR HA H 6 4.607 4.607 4.336 0.271 19556
107 1 5 . 1 1 6 6 THR CA C 6 57.971 57.971 61.410 -3.438 19556
108 1 5 . 1 1 6 6 THR CB C 6 70.090 70.090 68.248 1.842 19556
109 1 5 . 1 1 6 6 THR H H 6 8.237 8.237 8.031 0.206 19556
110 1 5 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.349 0.052 19556
111 1 5 . 1 1 7 7 PRO CA C 7 63.349 63.349 63.007 0.342 19556
112 1 5 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.188 -0.011 19556
113 1 5 . 1 1 8 8 GLY N N 8 109.872 109.872 110.243 -0.371 19556
114 1 5 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.638 0.534 19556
115 1 5 . 1 1 8 8 GLY H H 8 8.537 8.537 8.206 0.331 19556
116 1 5 . 1 1 9 9 ASN N N 9 118.554 118.554 117.828 0.726 19556
117 1 5 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.276 0.486 19556
118 1 5 . 1 1 9 9 ASN H H 9 8.265 8.265 8.214 0.051 19556
119 1 5 . 1 1 13 13 VAL N N 13 119.253 119.253 122.129 -2.876 19556
120 1 5 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.310 -0.186 19556
121 1 5 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.556 -0.121 19556
122 1 5 . 1 1 13 13 VAL H H 13 7.984 7.984 8.029 -0.045 19556
123 1 5 . 1 1 14 14 GLY N N 14 109.127 109.127 113.592 -4.465 19556
124 1 5 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.455 -0.283 19556
125 1 5 . 1 1 14 14 GLY H H 14 8.437 8.437 8.159 0.278 19556
126 1 6 . 1 1 2 2 PHE N N 2 120.350 120.350 116.491 3.859 19556
127 1 6 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.062 0.543 19556
128 1 6 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.084 1.748 19556
129 1 6 . 1 1 2 2 PHE H H 2 8.627 8.627 8.297 0.330 19556
130 1 6 . 1 1 6 6 THR N N 6 118.770 118.770 116.744 2.026 19556
131 1 6 . 1 1 6 6 THR HA H 6 4.607 4.607 4.104 0.503 19556
132 1 6 . 1 1 6 6 THR CA C 6 57.971 57.971 62.167 -4.196 19556
133 1 6 . 1 1 6 6 THR CB C 6 70.090 70.090 68.693 1.397 19556
134 1 6 . 1 1 6 6 THR H H 6 8.237 8.237 8.214 0.023 19556
135 1 6 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.573 -0.172 19556
136 1 6 . 1 1 7 7 PRO CA C 7 63.349 63.349 63.602 -0.254 19556
137 1 6 . 1 1 7 7 PRO CB C 7 32.177 32.177 31.834 0.343 19556
138 1 6 . 1 1 8 8 GLY N N 8 109.872 109.872 113.027 -3.155 19556
139 1 6 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.071 0.101 19556
140 1 6 . 1 1 8 8 GLY H H 8 8.537 8.537 8.693 -0.156 19556
141 1 6 . 1 1 9 9 ASN N N 9 118.554 118.554 121.880 -3.326 19556
142 1 6 . 1 1 9 9 ASN HA H 9 4.762 4.762 5.017 -0.255 19556
143 1 6 . 1 1 9 9 ASN H H 9 8.265 8.265 7.867 0.398 19556
144 1 6 . 1 1 13 13 VAL N N 13 119.253 119.253 121.195 -1.942 19556
145 1 6 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.389 -0.265 19556
146 1 6 . 1 1 13 13 VAL CA C 13 62.435 62.435 62.218 0.217 19556
147 1 6 . 1 1 13 13 VAL H H 13 7.984 7.984 8.130 -0.146 19556
148 1 6 . 1 1 14 14 GLY N N 14 109.127 109.127 108.739 0.388 19556
149 1 6 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.530 -0.358 19556
150 1 6 . 1 1 14 14 GLY H H 14 8.437 8.437 8.293 0.144 19556
151 1 7 . 1 1 2 2 PHE N N 2 120.350 120.350 122.455 -2.105 19556
152 1 7 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.446 0.159 19556
153 1 7 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.854 0.979 19556
154 1 7 . 1 1 2 2 PHE H H 2 8.627 8.627 8.493 0.134 19556
155 1 7 . 1 1 6 6 THR N N 6 118.770 118.770 118.599 0.171 19556
156 1 7 . 1 1 6 6 THR HA H 6 4.607 4.607 4.241 0.366 19556
157 1 7 . 1 1 6 6 THR CA C 6 57.971 57.971 61.699 -3.728 19556
158 1 7 . 1 1 6 6 THR CB C 6 70.090 70.090 69.550 0.540 19556
159 1 7 . 1 1 6 6 THR H H 6 8.237 8.237 8.234 0.003 19556
160 1 7 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.598 -0.198 19556
161 1 7 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.248 1.101 19556
162 1 7 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.534 -0.357 19556
163 1 7 . 1 1 8 8 GLY N N 8 109.872 109.872 105.329 4.543 19556
164 1 7 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.230 -0.058 19556
165 1 7 . 1 1 8 8 GLY H H 8 8.537 8.537 8.529 0.008 19556
166 1 7 . 1 1 9 9 ASN N N 9 118.554 118.554 114.415 4.139 19556
167 1 7 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.396 0.366 19556
168 1 7 . 1 1 9 9 ASN H H 9 8.265 8.265 8.365 -0.100 19556
169 1 7 . 1 1 13 13 VAL N N 13 119.253 119.253 122.323 -3.070 19556
170 1 7 . 1 1 13 13 VAL HA H 13 4.124 4.124 5.232 -1.108 19556
171 1 7 . 1 1 13 13 VAL CA C 13 62.435 62.435 60.682 1.753 19556
172 1 7 . 1 1 13 13 VAL H H 13 7.984 7.984 7.673 0.311 19556
173 1 7 . 1 1 14 14 GLY N N 14 109.127 109.127 110.748 -1.621 19556
174 1 7 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.843 0.329 19556
175 1 7 . 1 1 14 14 GLY H H 14 8.437 8.437 8.209 0.229 19556
176 1 8 . 1 1 2 2 PHE N N 2 120.350 120.350 118.784 1.566 19556
177 1 8 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.398 0.207 19556
178 1 8 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.955 0.878 19556
179 1 8 . 1 1 2 2 PHE H H 2 8.627 8.627 8.226 0.401 19556
180 1 8 . 1 1 6 6 THR N N 6 118.770 118.770 118.222 0.548 19556
181 1 8 . 1 1 6 6 THR HA H 6 4.607 4.607 4.222 0.385 19556
182 1 8 . 1 1 6 6 THR CA C 6 57.971 57.971 61.889 -3.918 19556
183 1 8 . 1 1 6 6 THR CB C 6 70.090 70.090 69.066 1.024 19556
184 1 8 . 1 1 6 6 THR H H 6 8.237 8.237 8.161 0.076 19556
185 1 8 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.523 -0.122 19556
186 1 8 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.944 0.405 19556
187 1 8 . 1 1 7 7 PRO CB C 7 32.177 32.177 30.756 1.421 19556
188 1 8 . 1 1 8 8 GLY N N 8 109.872 109.872 110.483 -0.611 19556
189 1 8 . 1 1 8 8 GLY CA C 8 45.172 45.172 44.377 0.795 19556
190 1 8 . 1 1 8 8 GLY H H 8 8.537 8.537 8.185 0.352 19556
191 1 8 . 1 1 9 9 ASN N N 9 118.554 118.554 116.567 1.987 19556
192 1 8 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.689 0.073 19556
193 1 8 . 1 1 9 9 ASN H H 9 8.265 8.265 8.267 -0.002 19556
194 1 8 . 1 1 13 13 VAL N N 13 119.253 119.253 120.684 -1.431 19556
195 1 8 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.322 -0.198 19556
196 1 8 . 1 1 13 13 VAL CA C 13 62.435 62.435 60.882 1.553 19556
197 1 8 . 1 1 13 13 VAL H H 13 7.984 7.984 8.445 -0.461 19556
198 1 8 . 1 1 14 14 GLY N N 14 109.127 109.127 108.128 0.999 19556
199 1 8 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.801 0.371 19556
200 1 8 . 1 1 14 14 GLY H H 14 8.437 8.437 7.628 0.809 19556
201 1 9 . 1 1 2 2 PHE N N 2 120.350 120.350 122.503 -2.153 19556
202 1 9 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.415 0.190 19556
203 1 9 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.704 1.129 19556
204 1 9 . 1 1 2 2 PHE H H 2 8.627 8.627 8.580 0.047 19556
205 1 9 . 1 1 6 6 THR N N 6 118.770 118.770 115.946 2.824 19556
206 1 9 . 1 1 6 6 THR HA H 6 4.607 4.607 4.088 0.519 19556
207 1 9 . 1 1 6 6 THR CA C 6 57.971 57.971 62.171 -4.200 19556
208 1 9 . 1 1 6 6 THR CB C 6 70.090 70.090 68.391 1.699 19556
209 1 9 . 1 1 6 6 THR H H 6 8.237 8.237 8.386 -0.148 19556
210 1 9 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.426 -0.025 19556
211 1 9 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.708 0.641 19556
212 1 9 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.726 -0.549 19556
213 1 9 . 1 1 8 8 GLY N N 8 109.872 109.872 106.141 3.731 19556
214 1 9 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.035 0.137 19556
215 1 9 . 1 1 8 8 GLY H H 8 8.537 8.537 8.495 0.042 19556
216 1 9 . 1 1 9 9 ASN N N 9 118.554 118.554 117.159 1.395 19556
217 1 9 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.157 0.605 19556
218 1 9 . 1 1 9 9 ASN H H 9 8.265 8.265 8.491 -0.226 19556
219 1 9 . 1 1 13 13 VAL N N 13 119.253 119.253 123.489 -4.236 19556
220 1 9 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.425 -0.301 19556
221 1 9 . 1 1 13 13 VAL CA C 13 62.435 62.435 61.049 1.386 19556
222 1 9 . 1 1 13 13 VAL H H 13 7.984 7.984 8.152 -0.168 19556
223 1 9 . 1 1 14 14 GLY N N 14 109.127 109.127 109.437 -0.310 19556
224 1 9 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.678 0.494 19556
225 1 9 . 1 1 14 14 GLY H H 14 8.437 8.437 7.651 0.786 19556
226 1 10 . 1 1 2 2 PHE N N 2 120.350 120.350 119.414 0.936 19556
227 1 10 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.569 0.036 19556
228 1 10 . 1 1 2 2 PHE CB C 2 39.833 39.833 39.148 0.685 19556
229 1 10 . 1 1 2 2 PHE H H 2 8.627 8.627 8.194 0.433 19556
230 1 10 . 1 1 6 6 THR N N 6 118.770 118.770 115.163 3.607 19556
231 1 10 . 1 1 6 6 THR HA H 6 4.607 4.607 4.553 0.054 19556
232 1 10 . 1 1 6 6 THR CA C 6 57.971 57.971 61.901 -3.930 19556
233 1 10 . 1 1 6 6 THR CB C 6 70.090 70.090 70.123 -0.033 19556
234 1 10 . 1 1 6 6 THR H H 6 8.237 8.237 7.596 0.641 19556
235 1 10 . 1 1 7 7 PRO HA H 7 4.401 4.401 5.320 -0.919 19556
236 1 10 . 1 1 7 7 PRO CA C 7 63.349 63.349 61.465 1.884 19556
237 1 10 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.955 -0.778 19556
238 1 10 . 1 1 8 8 GLY N N 8 109.872 109.872 107.782 2.090 19556
239 1 10 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.431 -0.259 19556
240 1 10 . 1 1 8 8 GLY H H 8 8.537 8.537 9.057 -0.520 19556
241 1 10 . 1 1 9 9 ASN N N 9 118.554 118.554 114.807 3.747 19556
242 1 10 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.685 0.077 19556
243 1 10 . 1 1 9 9 ASN H H 9 8.265 8.265 8.207 0.058 19556
244 1 10 . 1 1 13 13 VAL N N 13 119.253 119.253 122.745 -3.492 19556
245 1 10 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.545 -0.421 19556
246 1 10 . 1 1 13 13 VAL CA C 13 62.435 62.435 61.868 0.567 19556
247 1 10 . 1 1 13 13 VAL H H 13 7.984 7.984 8.178 -0.194 19556
248 1 10 . 1 1 14 14 GLY N N 14 109.127 109.127 107.588 1.539 19556
249 1 10 . 1 1 14 14 GLY CA C 14 45.172 45.172 44.709 0.463 19556
250 1 10 . 1 1 14 14 GLY H H 14 8.437 8.437 7.973 0.464 19556
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 6 3.556 -0.265 3.885 19556
2 1 1 "Average Difference" HA 7 0.299 -0.046 0.319 19556
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19556
4 1 1 "Average Difference" CA 5 0.860 0.190 0.937 19556
5 1 1 "Average Difference" CB 3 0.704 -0.519 0.582 19556
6 1 1 "Average Difference" HN 6 0.309 -0.160 0.290 19556
7 1 2 "Average Difference" N 6 3.532 -0.595 3.814 19556
8 1 2 "Average Difference" HA 7 0.268 -0.131 0.252 19556
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19556
10 1 2 "Average Difference" CA 5 1.846 0.988 1.744 19556
11 1 2 "Average Difference" CB 3 1.267 -1.149 0.655 19556
12 1 2 "Average Difference" HN 6 0.281 -0.093 0.291 19556
13 1 3 "Average Difference" N 6 1.285 0.179 1.394 19556
14 1 3 "Average Difference" HA 7 0.175 -0.096 0.158 19556
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19556
16 1 3 "Average Difference" CA 5 1.478 0.801 1.388 19556
17 1 3 "Average Difference" CB 3 0.636 -0.515 0.456 19556
18 1 3 "Average Difference" HN 6 0.248 -0.026 0.271 19556
19 1 4 "Average Difference" N 6 2.156 -0.396 2.321 19556
20 1 4 "Average Difference" HA 7 0.290 0.036 0.311 19556
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19556
22 1 4 "Average Difference" CA 5 1.867 0.106 2.084 19556
23 1 4 "Average Difference" CB 3 0.204 0.020 0.249 19556
24 1 4 "Average Difference" HN 6 0.310 -0.172 0.283 19556
25 1 5 "Average Difference" N 6 2.668 0.676 2.827 19556
26 1 5 "Average Difference" HA 7 0.307 -0.064 0.325 19556
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19556
28 1 5 "Average Difference" CA 5 1.570 0.593 1.625 19556
29 1 5 "Average Difference" CB 3 1.222 -0.958 0.930 19556
30 1 5 "Average Difference" HN 6 0.205 -0.160 0.141 19556
31 1 6 "Average Difference" N 6 2.706 0.358 2.938 19556
32 1 6 "Average Difference" HA 7 0.341 -0.077 0.359 19556
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19556
34 1 6 "Average Difference" CA 5 1.890 0.898 1.859 19556
35 1 6 "Average Difference" CB 3 1.307 -1.163 0.732 19556
36 1 6 "Average Difference" HN 6 0.236 -0.099 0.235 19556
37 1 7 "Average Difference" N 6 3.008 -0.343 3.273 19556
38 1 7 "Average Difference" HA 7 0.490 0.025 0.529 19556
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19556
40 1 7 "Average Difference" CA 5 1.913 0.121 2.134 19556
41 1 7 "Average Difference" CB 3 0.677 -0.387 0.681 19556
42 1 7 "Average Difference" HN 6 0.172 -0.098 0.155 19556
43 1 8 "Average Difference" N 6 1.299 -0.510 1.309 19556
44 1 8 "Average Difference" HA 7 0.196 -0.075 0.196 19556
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19556
46 1 8 "Average Difference" CA 5 1.934 0.159 2.155 19556
47 1 8 "Average Difference" CB 3 1.131 -1.108 0.281 19556
48 1 8 "Average Difference" HN 6 0.439 -0.196 0.431 19556
49 1 9 "Average Difference" N 6 2.784 -0.209 3.042 19556
50 1 9 "Average Difference" HA 7 0.403 -0.147 0.405 19556
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19556
52 1 9 "Average Difference" CA 5 2.012 0.308 2.223 19556
53 1 9 "Average Difference" CB 3 1.220 -0.760 1.169 19556
54 1 9 "Average Difference" HN 6 0.347 -0.056 0.375 19556
55 1 10 "Average Difference" N 6 2.795 -1.404 2.647 19556
56 1 10 "Average Difference" HA 7 0.406 0.099 0.425 19556
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19556
58 1 10 "Average Difference" CA 5 1.980 0.255 2.195 19556
59 1 10 "Average Difference" CB 3 0.599 0.042 0.732 19556
60 1 10 "Average Difference" HN 6 0.433 -0.147 0.446 19556
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 19556
_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 PHE N N 2 120.350 120.350 120.452 -0.102 19556
2 1 . 1 1 2 2 PHE HA H 2 4.605 4.605 4.500 0.105 19556
3 1 . 1 1 2 2 PHE CB C 2 39.833 39.833 38.976 0.857 19556
4 1 . 1 1 2 2 PHE H H 2 8.627 8.627 8.322 0.305 19556
5 1 . 1 1 6 6 THR N N 6 118.770 118.770 115.900 2.870 19556
6 1 . 1 1 6 6 THR HA H 6 4.607 4.607 4.314 0.293 19556
7 1 . 1 1 6 6 THR CA C 6 57.971 57.971 61.591 -3.620 19556
8 1 . 1 1 6 6 THR CB C 6 70.090 70.090 69.061 1.029 19556
9 1 . 1 1 6 6 THR H H 6 8.237 8.237 8.089 0.148 19556
10 1 . 1 1 7 7 PRO HA H 7 4.401 4.401 4.598 -0.197 19556
11 1 . 1 1 7 7 PRO CA C 7 63.349 63.349 62.870 0.479 19556
12 1 . 1 1 7 7 PRO CB C 7 32.177 32.177 32.114 0.063 19556
13 1 . 1 1 8 8 GLY N N 8 109.872 109.872 108.876 0.996 19556
14 1 . 1 1 8 8 GLY CA C 8 45.172 45.172 45.015 0.157 19556
15 1 . 1 1 8 8 GLY H H 8 8.537 8.537 8.599 -0.062 19556
16 1 . 1 1 9 9 ASN N N 9 118.554 118.554 117.241 1.313 19556
17 1 . 1 1 9 9 ASN HA H 9 4.762 4.762 4.584 0.178 19556
18 1 . 1 1 9 9 ASN H H 9 8.265 8.265 8.207 0.058 19556
19 1 . 1 1 13 13 VAL N N 13 119.253 119.253 121.791 -2.538 19556
20 1 . 1 1 13 13 VAL HA H 13 4.124 4.124 4.446 -0.322 19556
21 1 . 1 1 13 13 VAL CA C 13 62.435 62.435 61.713 0.722 19556
22 1 . 1 1 13 13 VAL H H 13 7.984 7.984 8.049 -0.065 19556
23 1 . 1 1 14 14 GLY N N 14 109.127 109.127 110.162 -1.035 19556
24 1 . 1 1 14 14 GLY CA C 14 45.172 45.172 45.119 0.053 19556
25 1 . 1 1 14 14 GLY H H 14 8.437 8.437 8.097 0.340 19556
stop_
save_