data_19678
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19678
_Entry.PDB_ID 2MIG
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 19678
_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 LYS N N 2 125.040 125.040 125.670 -0.630 19678
2 1 1 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.631 -0.226 19678
3 1 1 . 1 1 2 2 LYS CA C 2 56.331 56.331 56.145 0.186 19678
4 1 1 . 1 1 2 2 LYS CB C 2 33.207 33.207 34.213 -1.006 19678
5 1 1 . 1 1 2 2 LYS H H 2 8.762 8.762 8.279 0.483 19678
6 1 1 . 1 1 3 3 VAL N N 3 124.449 124.449 122.106 2.343 19678
7 1 1 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.479 -0.069 19678
8 1 1 . 1 1 3 3 VAL CA C 3 59.966 59.966 59.265 0.701 19678
9 1 1 . 1 1 3 3 VAL CB C 3 32.666 32.666 31.445 1.222 19678
10 1 1 . 1 1 3 3 VAL H H 3 8.385 8.385 8.277 0.107 19678
11 1 1 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.540 -0.149 19678
12 1 1 . 1 1 4 4 PRO CA C 4 63.555 63.555 62.853 0.702 19678
13 1 1 . 1 1 5 5 THR N N 5 115.021 115.021 113.943 1.078 19678
14 1 1 . 1 1 5 5 THR HA H 5 4.304 4.304 4.127 0.177 19678
15 1 1 . 1 1 5 5 THR CA C 5 62.222 62.222 64.305 -2.083 19678
16 1 1 . 1 1 5 5 THR CB C 5 69.945 69.945 68.725 1.220 19678
17 1 1 . 1 1 5 5 THR H H 5 8.268 8.268 8.438 -0.170 19678
18 1 1 . 1 1 6 6 GLY N N 6 111.495 111.495 109.154 2.341 19678
19 1 1 . 1 1 6 6 GLY CA C 6 45.292 45.292 44.740 0.552 19678
20 1 1 . 1 1 6 6 GLY H H 6 8.444 8.444 8.087 0.357 19678
21 1 1 . 1 1 7 7 SER N N 7 115.443 115.443 112.483 2.960 19678
22 1 1 . 1 1 7 7 SER HA H 7 4.438 4.438 4.114 0.324 19678
23 1 1 . 1 1 7 7 SER CA C 7 58.281 58.281 59.675 -1.394 19678
24 1 1 . 1 1 7 7 SER CB C 7 64.041 64.041 61.295 2.746 19678
25 1 1 . 1 1 7 7 SER H H 7 8.206 8.206 7.898 0.308 19678
26 1 1 . 1 1 8 8 ASN N N 8 121.386 121.386 116.724 4.662 19678
27 1 1 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.871 0.101 19678
28 1 1 . 1 1 8 8 ASN CA C 8 51.517 51.517 52.322 -0.805 19678
29 1 1 . 1 1 8 8 ASN CB C 8 38.948 38.948 39.693 -0.745 19678
30 1 1 . 1 1 8 8 ASN H H 8 8.511 8.511 7.711 0.800 19678
31 1 1 . 1 1 9 9 PRO HA H 9 4.482 4.482 5.000 -0.518 19678
32 1 1 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.997 0.277 19678
33 1 1 . 1 1 10 10 GLN N N 10 120.225 120.225 119.966 0.259 19678
34 1 1 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.207 0.069 19678
35 1 1 . 1 1 10 10 GLN CA C 10 55.859 55.859 57.127 -1.268 19678
36 1 1 . 1 1 10 10 GLN CB C 10 29.518 29.518 29.598 -0.080 19678
37 1 1 . 1 1 10 10 GLN H H 10 8.377 8.377 8.297 0.080 19678
38 1 1 . 1 1 11 11 LYS N N 11 122.970 122.970 115.590 7.380 19678
39 1 1 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.349 -0.040 19678
40 1 1 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.556 -0.278 19678
41 1 1 . 1 1 11 11 LYS CB C 11 33.212 33.212 32.150 1.062 19678
42 1 1 . 1 1 11 11 LYS H H 11 8.270 8.270 8.011 0.259 19678
43 1 2 . 1 1 2 2 LYS N N 2 125.040 125.040 123.932 1.108 19678
44 1 2 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.409 -0.004 19678
45 1 2 . 1 1 2 2 LYS CA C 2 56.331 56.331 56.284 0.047 19678
46 1 2 . 1 1 2 2 LYS CB C 2 33.207 33.207 31.720 1.487 19678
47 1 2 . 1 1 2 2 LYS H H 2 8.762 8.762 8.461 0.301 19678
48 1 2 . 1 1 3 3 VAL N N 3 124.449 124.449 119.160 5.289 19678
49 1 2 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.599 -0.189 19678
50 1 2 . 1 1 3 3 VAL CA C 3 59.966 59.966 58.405 1.561 19678
51 1 2 . 1 1 3 3 VAL CB C 3 32.666 32.666 32.886 -0.221 19678
52 1 2 . 1 1 3 3 VAL H H 3 8.385 8.385 7.822 0.563 19678
53 1 2 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.479 -0.088 19678
54 1 2 . 1 1 4 4 PRO CA C 4 63.555 63.555 64.407 -0.852 19678
55 1 2 . 1 1 5 5 THR N N 5 115.021 115.021 112.197 2.824 19678
56 1 2 . 1 1 5 5 THR HA H 5 4.304 4.304 4.321 -0.017 19678
57 1 2 . 1 1 5 5 THR CA C 5 62.222 62.222 61.894 0.328 19678
58 1 2 . 1 1 5 5 THR CB C 5 69.945 69.945 69.943 0.002 19678
59 1 2 . 1 1 5 5 THR H H 5 8.268 8.268 7.707 0.561 19678
60 1 2 . 1 1 6 6 GLY N N 6 111.495 111.495 111.009 0.486 19678
61 1 2 . 1 1 6 6 GLY CA C 6 45.292 45.292 44.444 0.848 19678
62 1 2 . 1 1 6 6 GLY H H 6 8.444 8.444 8.046 0.398 19678
63 1 2 . 1 1 7 7 SER N N 7 115.443 115.443 119.552 -4.109 19678
64 1 2 . 1 1 7 7 SER HA H 7 4.438 4.438 4.392 0.046 19678
65 1 2 . 1 1 7 7 SER CA C 7 58.281 58.281 58.739 -0.458 19678
66 1 2 . 1 1 7 7 SER CB C 7 64.041 64.041 61.845 2.196 19678
67 1 2 . 1 1 7 7 SER H H 7 8.206 8.206 8.400 -0.194 19678
68 1 2 . 1 1 8 8 ASN N N 8 121.386 121.386 119.976 1.410 19678
69 1 2 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.530 0.442 19678
70 1 2 . 1 1 8 8 ASN CA C 8 51.517 51.517 53.973 -2.456 19678
71 1 2 . 1 1 8 8 ASN CB C 8 38.948 38.948 37.385 1.563 19678
72 1 2 . 1 1 8 8 ASN H H 8 8.511 8.511 8.159 0.352 19678
73 1 2 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.642 -0.160 19678
74 1 2 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.801 0.473 19678
75 1 2 . 1 1 10 10 GLN N N 10 120.225 120.225 120.302 -0.077 19678
76 1 2 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.121 0.155 19678
77 1 2 . 1 1 10 10 GLN CA C 10 55.859 55.859 56.158 -0.299 19678
78 1 2 . 1 1 10 10 GLN CB C 10 29.518 29.518 28.415 1.103 19678
79 1 2 . 1 1 10 10 GLN H H 10 8.377 8.377 8.383 -0.006 19678
80 1 2 . 1 1 11 11 LYS N N 11 122.970 122.970 116.190 6.780 19678
81 1 2 . 1 1 11 11 LYS HA H 11 4.309 4.309 3.912 0.397 19678
82 1 2 . 1 1 11 11 LYS CA C 11 56.278 56.278 57.502 -1.224 19678
83 1 2 . 1 1 11 11 LYS CB C 11 33.212 33.212 30.533 2.679 19678
84 1 2 . 1 1 11 11 LYS H H 11 8.270 8.270 8.574 -0.304 19678
85 1 3 . 1 1 2 2 LYS N N 2 125.040 125.040 122.418 2.622 19678
86 1 3 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.289 0.116 19678
87 1 3 . 1 1 2 2 LYS CA C 2 56.331 56.331 57.086 -0.755 19678
88 1 3 . 1 1 2 2 LYS CB C 2 33.207 33.207 33.169 0.038 19678
89 1 3 . 1 1 2 2 LYS H H 2 8.762 8.762 8.374 0.388 19678
90 1 3 . 1 1 3 3 VAL N N 3 124.449 124.449 114.503 9.946 19678
91 1 3 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.631 -0.221 19678
92 1 3 . 1 1 3 3 VAL CA C 3 59.966 59.966 58.824 1.142 19678
93 1 3 . 1 1 3 3 VAL CB C 3 32.666 32.666 31.213 1.453 19678
94 1 3 . 1 1 3 3 VAL H H 3 8.385 8.385 7.529 0.856 19678
95 1 3 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.329 0.062 19678
96 1 3 . 1 1 4 4 PRO CA C 4 63.555 63.555 64.503 -0.948 19678
97 1 3 . 1 1 5 5 THR N N 5 115.021 115.021 109.843 5.178 19678
98 1 3 . 1 1 5 5 THR HA H 5 4.304 4.304 4.348 -0.044 19678
99 1 3 . 1 1 5 5 THR CA C 5 62.222 62.222 60.940 1.282 19678
100 1 3 . 1 1 5 5 THR CB C 5 69.945 69.945 70.393 -0.448 19678
101 1 3 . 1 1 5 5 THR H H 5 8.268 8.268 7.544 0.724 19678
102 1 3 . 1 1 6 6 GLY N N 6 111.495 111.495 109.000 2.495 19678
103 1 3 . 1 1 6 6 GLY CA C 6 45.292 45.292 45.473 -0.181 19678
104 1 3 . 1 1 6 6 GLY H H 6 8.444 8.444 8.331 0.113 19678
105 1 3 . 1 1 7 7 SER N N 7 115.443 115.443 118.365 -2.922 19678
106 1 3 . 1 1 7 7 SER HA H 7 4.438 4.438 4.427 0.011 19678
107 1 3 . 1 1 7 7 SER CA C 7 58.281 58.281 58.833 -0.552 19678
108 1 3 . 1 1 7 7 SER CB C 7 64.041 64.041 63.146 0.895 19678
109 1 3 . 1 1 7 7 SER H H 7 8.206 8.206 8.042 0.164 19678
110 1 3 . 1 1 8 8 ASN N N 8 121.386 121.386 121.642 -0.256 19678
111 1 3 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.538 0.434 19678
112 1 3 . 1 1 8 8 ASN CA C 8 51.517 51.517 53.398 -1.881 19678
113 1 3 . 1 1 8 8 ASN CB C 8 38.948 38.948 37.215 1.733 19678
114 1 3 . 1 1 8 8 ASN H H 8 8.511 8.511 8.759 -0.248 19678
115 1 3 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.811 -0.329 19678
116 1 3 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.358 0.916 19678
117 1 3 . 1 1 10 10 GLN N N 10 120.225 120.225 120.532 -0.307 19678
118 1 3 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.079 0.197 19678
119 1 3 . 1 1 10 10 GLN CA C 10 55.859 55.859 57.645 -1.786 19678
120 1 3 . 1 1 10 10 GLN CB C 10 29.518 29.518 28.845 0.673 19678
121 1 3 . 1 1 10 10 GLN H H 10 8.377 8.377 8.424 -0.047 19678
122 1 3 . 1 1 11 11 LYS N N 11 122.970 122.970 113.433 9.537 19678
123 1 3 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.271 0.038 19678
124 1 3 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.472 -0.194 19678
125 1 3 . 1 1 11 11 LYS CB C 11 33.212 33.212 32.507 0.705 19678
126 1 3 . 1 1 11 11 LYS H H 11 8.270 8.270 8.238 0.032 19678
127 1 4 . 1 1 2 2 LYS N N 2 125.040 125.040 122.399 2.641 19678
128 1 4 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.400 0.005 19678
129 1 4 . 1 1 2 2 LYS CA C 2 56.331 56.331 55.945 0.386 19678
130 1 4 . 1 1 2 2 LYS CB C 2 33.207 33.207 33.319 -0.112 19678
131 1 4 . 1 1 2 2 LYS H H 2 8.762 8.762 8.373 0.389 19678
132 1 4 . 1 1 3 3 VAL N N 3 124.449 124.449 126.545 -2.096 19678
133 1 4 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.597 -0.187 19678
134 1 4 . 1 1 3 3 VAL CA C 3 59.966 59.966 59.196 0.770 19678
135 1 4 . 1 1 3 3 VAL CB C 3 32.666 32.666 32.375 0.291 19678
136 1 4 . 1 1 3 3 VAL H H 3 8.385 8.385 8.632 -0.247 19678
137 1 4 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.509 -0.118 19678
138 1 4 . 1 1 4 4 PRO CA C 4 63.555 63.555 63.633 -0.077 19678
139 1 4 . 1 1 5 5 THR N N 5 115.021 115.021 115.491 -0.470 19678
140 1 4 . 1 1 5 5 THR HA H 5 4.304 4.304 4.486 -0.182 19678
141 1 4 . 1 1 5 5 THR CA C 5 62.222 62.222 61.578 0.644 19678
142 1 4 . 1 1 5 5 THR CB C 5 69.945 69.945 70.309 -0.364 19678
143 1 4 . 1 1 5 5 THR H H 5 8.268 8.268 7.714 0.554 19678
144 1 4 . 1 1 6 6 GLY N N 6 111.495 111.495 113.495 -2.000 19678
145 1 4 . 1 1 6 6 GLY CA C 6 45.292 45.292 45.461 -0.169 19678
146 1 4 . 1 1 6 6 GLY H H 6 8.444 8.444 8.943 -0.499 19678
147 1 4 . 1 1 7 7 SER N N 7 115.443 115.443 117.145 -1.702 19678
148 1 4 . 1 1 7 7 SER HA H 7 4.438 4.438 4.458 -0.020 19678
149 1 4 . 1 1 7 7 SER CA C 7 58.281 58.281 57.767 0.513 19678
150 1 4 . 1 1 7 7 SER CB C 7 64.041 64.041 64.356 -0.315 19678
151 1 4 . 1 1 7 7 SER H H 7 8.206 8.206 7.904 0.302 19678
152 1 4 . 1 1 8 8 ASN N N 8 121.386 121.386 121.535 -0.149 19678
153 1 4 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.586 0.386 19678
154 1 4 . 1 1 8 8 ASN CA C 8 51.517 51.517 53.502 -1.985 19678
155 1 4 . 1 1 8 8 ASN CB C 8 38.948 38.948 38.465 0.483 19678
156 1 4 . 1 1 8 8 ASN H H 8 8.511 8.511 8.455 0.056 19678
157 1 4 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.433 0.049 19678
158 1 4 . 1 1 9 9 PRO CA C 9 63.274 63.274 63.020 0.254 19678
159 1 4 . 1 1 10 10 GLN N N 10 120.225 120.225 120.148 0.077 19678
160 1 4 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.253 0.023 19678
161 1 4 . 1 1 10 10 GLN CA C 10 55.859 55.859 55.905 -0.046 19678
162 1 4 . 1 1 10 10 GLN CB C 10 29.518 29.518 28.730 0.788 19678
163 1 4 . 1 1 10 10 GLN H H 10 8.377 8.377 7.865 0.512 19678
164 1 4 . 1 1 11 11 LYS N N 11 122.970 122.970 118.374 4.596 19678
165 1 4 . 1 1 11 11 LYS HA H 11 4.309 4.309 3.924 0.385 19678
166 1 4 . 1 1 11 11 LYS CA C 11 56.278 56.278 58.303 -2.025 19678
167 1 4 . 1 1 11 11 LYS CB C 11 33.212 33.212 30.633 2.579 19678
168 1 4 . 1 1 11 11 LYS H H 11 8.270 8.270 8.490 -0.220 19678
169 1 5 . 1 1 2 2 LYS N N 2 125.040 125.040 121.701 3.339 19678
170 1 5 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.131 0.274 19678
171 1 5 . 1 1 2 2 LYS CA C 2 56.331 56.331 56.413 -0.082 19678
172 1 5 . 1 1 2 2 LYS CB C 2 33.207 33.207 32.706 0.501 19678
173 1 5 . 1 1 2 2 LYS H H 2 8.762 8.762 8.434 0.328 19678
174 1 5 . 1 1 3 3 VAL N N 3 124.449 124.449 119.065 5.384 19678
175 1 5 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.855 0.555 19678
176 1 5 . 1 1 3 3 VAL CA C 3 59.966 59.966 62.026 -2.060 19678
177 1 5 . 1 1 3 3 VAL CB C 3 32.666 32.666 30.789 1.877 19678
178 1 5 . 1 1 3 3 VAL H H 3 8.385 8.385 8.482 -0.097 19678
179 1 5 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.450 -0.059 19678
180 1 5 . 1 1 4 4 PRO CA C 4 63.555 63.555 65.475 -1.920 19678
181 1 5 . 1 1 5 5 THR N N 5 115.021 115.021 109.918 5.103 19678
182 1 5 . 1 1 5 5 THR HA H 5 4.304 4.304 4.483 -0.179 19678
183 1 5 . 1 1 5 5 THR CA C 5 62.222 62.222 61.993 0.229 19678
184 1 5 . 1 1 5 5 THR CB C 5 69.945 69.945 68.576 1.369 19678
185 1 5 . 1 1 5 5 THR H H 5 8.268 8.268 7.664 0.604 19678
186 1 5 . 1 1 6 6 GLY N N 6 111.495 111.495 117.890 -6.395 19678
187 1 5 . 1 1 6 6 GLY CA C 6 45.292 45.292 45.741 -0.449 19678
188 1 5 . 1 1 6 6 GLY H H 6 8.444 8.444 8.600 -0.156 19678
189 1 5 . 1 1 7 7 SER N N 7 115.443 115.443 119.213 -3.770 19678
190 1 5 . 1 1 7 7 SER HA H 7 4.438 4.438 4.518 -0.080 19678
191 1 5 . 1 1 7 7 SER CA C 7 58.281 58.281 57.875 0.406 19678
192 1 5 . 1 1 7 7 SER CB C 7 64.041 64.041 64.354 -0.313 19678
193 1 5 . 1 1 7 7 SER H H 7 8.206 8.206 8.285 -0.079 19678
194 1 5 . 1 1 8 8 ASN N N 8 121.386 121.386 123.040 -1.654 19678
195 1 5 . 1 1 8 8 ASN HA H 8 4.972 4.972 5.002 -0.030 19678
196 1 5 . 1 1 8 8 ASN CA C 8 51.517 51.517 50.716 0.801 19678
197 1 5 . 1 1 8 8 ASN CB C 8 38.948 38.948 38.766 0.182 19678
198 1 5 . 1 1 8 8 ASN H H 8 8.511 8.511 8.647 -0.136 19678
199 1 5 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.552 -0.070 19678
200 1 5 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.629 0.645 19678
201 1 5 . 1 1 10 10 GLN N N 10 120.225 120.225 122.643 -2.418 19678
202 1 5 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.082 0.194 19678
203 1 5 . 1 1 10 10 GLN CA C 10 55.859 55.859 57.949 -2.090 19678
204 1 5 . 1 1 10 10 GLN CB C 10 29.518 29.518 29.307 0.211 19678
205 1 5 . 1 1 10 10 GLN H H 10 8.377 8.377 8.315 0.062 19678
206 1 5 . 1 1 11 11 LYS N N 11 122.970 122.970 113.053 9.917 19678
207 1 5 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.239 0.070 19678
208 1 5 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.556 -0.278 19678
209 1 5 . 1 1 11 11 LYS CB C 11 33.212 33.212 31.575 1.637 19678
210 1 5 . 1 1 11 11 LYS H H 11 8.270 8.270 8.508 -0.238 19678
211 1 6 . 1 1 2 2 LYS N N 2 125.040 125.040 123.884 1.156 19678
212 1 6 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.567 -0.162 19678
213 1 6 . 1 1 2 2 LYS CA C 2 56.331 56.331 55.915 0.416 19678
214 1 6 . 1 1 2 2 LYS CB C 2 33.207 33.207 32.904 0.303 19678
215 1 6 . 1 1 2 2 LYS H H 2 8.762 8.762 8.178 0.584 19678
216 1 6 . 1 1 3 3 VAL N N 3 124.449 124.449 122.872 1.577 19678
217 1 6 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.284 0.126 19678
218 1 6 . 1 1 3 3 VAL CA C 3 59.966 59.966 59.305 0.661 19678
219 1 6 . 1 1 3 3 VAL CB C 3 32.666 32.666 31.575 1.091 19678
220 1 6 . 1 1 3 3 VAL H H 3 8.385 8.385 8.016 0.369 19678
221 1 6 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.627 -0.236 19678
222 1 6 . 1 1 4 4 PRO CA C 4 63.555 63.555 62.062 1.493 19678
223 1 6 . 1 1 5 5 THR N N 5 115.021 115.021 114.952 0.069 19678
224 1 6 . 1 1 5 5 THR HA H 5 4.304 4.304 4.127 0.177 19678
225 1 6 . 1 1 5 5 THR CA C 5 62.222 62.222 64.128 -1.906 19678
226 1 6 . 1 1 5 5 THR CB C 5 69.945 69.945 68.362 1.583 19678
227 1 6 . 1 1 5 5 THR H H 5 8.268 8.268 8.218 0.050 19678
228 1 6 . 1 1 6 6 GLY N N 6 111.495 111.495 114.247 -2.752 19678
229 1 6 . 1 1 6 6 GLY CA C 6 45.292 45.292 44.537 0.755 19678
230 1 6 . 1 1 6 6 GLY H H 6 8.444 8.444 8.111 0.333 19678
231 1 6 . 1 1 7 7 SER N N 7 115.443 115.443 115.574 -0.131 19678
232 1 6 . 1 1 7 7 SER HA H 7 4.438 4.438 4.353 0.085 19678
233 1 6 . 1 1 7 7 SER CA C 7 58.281 58.281 57.914 0.367 19678
234 1 6 . 1 1 7 7 SER CB C 7 64.041 64.041 62.204 1.837 19678
235 1 6 . 1 1 7 7 SER H H 7 8.206 8.206 8.338 -0.132 19678
236 1 6 . 1 1 8 8 ASN N N 8 121.386 121.386 119.441 1.945 19678
237 1 6 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.480 0.492 19678
238 1 6 . 1 1 8 8 ASN CA C 8 51.517 51.517 53.487 -1.970 19678
239 1 6 . 1 1 8 8 ASN CB C 8 38.948 38.948 37.661 1.287 19678
240 1 6 . 1 1 8 8 ASN H H 8 8.511 8.511 8.250 0.261 19678
241 1 6 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.421 0.061 19678
242 1 6 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.882 0.392 19678
243 1 6 . 1 1 10 10 GLN N N 10 120.225 120.225 116.571 3.654 19678
244 1 6 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.346 -0.070 19678
245 1 6 . 1 1 10 10 GLN CA C 10 55.859 55.859 55.729 0.130 19678
246 1 6 . 1 1 10 10 GLN CB C 10 29.518 29.518 28.223 1.295 19678
247 1 6 . 1 1 10 10 GLN H H 10 8.377 8.377 7.823 0.554 19678
248 1 6 . 1 1 11 11 LYS N N 11 122.970 122.970 121.386 1.584 19678
249 1 6 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.140 0.169 19678
250 1 6 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.523 -0.245 19678
251 1 6 . 1 1 11 11 LYS CB C 11 33.212 33.212 30.993 2.219 19678
252 1 6 . 1 1 11 11 LYS H H 11 8.270 8.270 7.931 0.339 19678
253 1 7 . 1 1 2 2 LYS N N 2 125.040 125.040 120.259 4.781 19678
254 1 7 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.530 -0.125 19678
255 1 7 . 1 1 2 2 LYS CA C 2 56.331 56.331 55.569 0.762 19678
256 1 7 . 1 1 2 2 LYS CB C 2 33.207 33.207 34.053 -0.846 19678
257 1 7 . 1 1 2 2 LYS H H 2 8.762 8.762 7.812 0.950 19678
258 1 7 . 1 1 3 3 VAL N N 3 124.449 124.449 120.662 3.787 19678
259 1 7 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.912 0.498 19678
260 1 7 . 1 1 3 3 VAL CA C 3 59.966 59.966 62.192 -2.226 19678
261 1 7 . 1 1 3 3 VAL CB C 3 32.666 32.666 30.785 1.881 19678
262 1 7 . 1 1 3 3 VAL H H 3 8.385 8.385 8.531 -0.146 19678
263 1 7 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.651 -0.260 19678
264 1 7 . 1 1 4 4 PRO CA C 4 63.555 63.555 62.360 1.195 19678
265 1 7 . 1 1 5 5 THR N N 5 115.021 115.021 114.153 0.868 19678
266 1 7 . 1 1 5 5 THR HA H 5 4.304 4.304 4.121 0.183 19678
267 1 7 . 1 1 5 5 THR CA C 5 62.222 62.222 63.384 -1.162 19678
268 1 7 . 1 1 5 5 THR CB C 5 69.945 69.945 68.877 1.068 19678
269 1 7 . 1 1 5 5 THR H H 5 8.268 8.268 8.235 0.033 19678
270 1 7 . 1 1 6 6 GLY N N 6 111.495 111.495 113.041 -1.546 19678
271 1 7 . 1 1 6 6 GLY CA C 6 45.292 45.292 44.460 0.832 19678
272 1 7 . 1 1 6 6 GLY H H 6 8.444 8.444 7.902 0.542 19678
273 1 7 . 1 1 7 7 SER N N 7 115.443 115.443 118.057 -2.614 19678
274 1 7 . 1 1 7 7 SER HA H 7 4.438 4.438 4.503 -0.065 19678
275 1 7 . 1 1 7 7 SER CA C 7 58.281 58.281 57.469 0.812 19678
276 1 7 . 1 1 7 7 SER CB C 7 64.041 64.041 61.563 2.478 19678
277 1 7 . 1 1 7 7 SER H H 7 8.206 8.206 8.429 -0.223 19678
278 1 7 . 1 1 8 8 ASN N N 8 121.386 121.386 119.465 1.921 19678
279 1 7 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.525 0.447 19678
280 1 7 . 1 1 8 8 ASN CA C 8 51.517 51.517 53.448 -1.931 19678
281 1 7 . 1 1 8 8 ASN CB C 8 38.948 38.948 39.346 -0.398 19678
282 1 7 . 1 1 8 8 ASN H H 8 8.511 8.511 7.885 0.626 19678
283 1 7 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.604 -0.122 19678
284 1 7 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.984 0.290 19678
285 1 7 . 1 1 10 10 GLN N N 10 120.225 120.225 119.598 0.627 19678
286 1 7 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.235 0.041 19678
287 1 7 . 1 1 10 10 GLN CA C 10 55.859 55.859 57.191 -1.332 19678
288 1 7 . 1 1 10 10 GLN CB C 10 29.518 29.518 29.170 0.348 19678
289 1 7 . 1 1 10 10 GLN H H 10 8.377 8.377 8.254 0.123 19678
290 1 7 . 1 1 11 11 LYS N N 11 122.970 122.970 116.513 6.457 19678
291 1 7 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.476 -0.167 19678
292 1 7 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.178 0.100 19678
293 1 7 . 1 1 11 11 LYS CB C 11 33.212 33.212 32.194 1.018 19678
294 1 7 . 1 1 11 11 LYS H H 11 8.270 8.270 8.120 0.150 19678
295 1 8 . 1 1 2 2 LYS N N 2 125.040 125.040 119.769 5.271 19678
296 1 8 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.204 0.201 19678
297 1 8 . 1 1 2 2 LYS CA C 2 56.331 56.331 57.800 -1.469 19678
298 1 8 . 1 1 2 2 LYS CB C 2 33.207 33.207 32.406 0.801 19678
299 1 8 . 1 1 2 2 LYS H H 2 8.762 8.762 8.436 0.326 19678
300 1 8 . 1 1 3 3 VAL N N 3 124.449 124.449 111.937 12.512 19678
301 1 8 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.523 -0.113 19678
302 1 8 . 1 1 3 3 VAL CA C 3 59.966 59.966 59.863 0.103 19678
303 1 8 . 1 1 3 3 VAL CB C 3 32.666 32.666 31.539 1.127 19678
304 1 8 . 1 1 3 3 VAL H H 3 8.385 8.385 7.728 0.657 19678
305 1 8 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.608 -0.217 19678
306 1 8 . 1 1 4 4 PRO CA C 4 63.555 63.555 63.932 -0.377 19678
307 1 8 . 1 1 5 5 THR N N 5 115.021 115.021 112.156 2.865 19678
308 1 8 . 1 1 5 5 THR HA H 5 4.304 4.304 4.435 -0.131 19678
309 1 8 . 1 1 5 5 THR CA C 5 62.222 62.222 61.268 0.954 19678
310 1 8 . 1 1 5 5 THR CB C 5 69.945 69.945 70.557 -0.612 19678
311 1 8 . 1 1 5 5 THR H H 5 8.268 8.268 7.402 0.866 19678
312 1 8 . 1 1 6 6 GLY N N 6 111.495 111.495 114.273 -2.778 19678
313 1 8 . 1 1 6 6 GLY CA C 6 45.292 45.292 45.798 -0.506 19678
314 1 8 . 1 1 6 6 GLY H H 6 8.444 8.444 8.429 0.015 19678
315 1 8 . 1 1 7 7 SER N N 7 115.443 115.443 117.285 -1.842 19678
316 1 8 . 1 1 7 7 SER HA H 7 4.438 4.438 4.380 0.058 19678
317 1 8 . 1 1 7 7 SER CA C 7 58.281 58.281 58.410 -0.129 19678
318 1 8 . 1 1 7 7 SER CB C 7 64.041 64.041 63.201 0.840 19678
319 1 8 . 1 1 7 7 SER H H 7 8.206 8.206 8.421 -0.215 19678
320 1 8 . 1 1 8 8 ASN N N 8 121.386 121.386 117.792 3.594 19678
321 1 8 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.967 0.005 19678
322 1 8 . 1 1 8 8 ASN CA C 8 51.517 51.517 52.387 -0.870 19678
323 1 8 . 1 1 8 8 ASN CB C 8 38.948 38.948 40.011 -1.063 19678
324 1 8 . 1 1 8 8 ASN H H 8 8.511 8.511 7.610 0.901 19678
325 1 8 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.522 -0.040 19678
326 1 8 . 1 1 9 9 PRO CA C 9 63.274 63.274 63.037 0.237 19678
327 1 8 . 1 1 10 10 GLN N N 10 120.225 120.225 116.780 3.445 19678
328 1 8 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.283 -0.007 19678
329 1 8 . 1 1 10 10 GLN CA C 10 55.859 55.859 55.401 0.458 19678
330 1 8 . 1 1 10 10 GLN CB C 10 29.518 29.518 28.167 1.351 19678
331 1 8 . 1 1 10 10 GLN H H 10 8.377 8.377 8.171 0.206 19678
332 1 8 . 1 1 11 11 LYS N N 11 122.970 122.970 121.490 1.480 19678
333 1 8 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.117 0.192 19678
334 1 8 . 1 1 11 11 LYS CA C 11 56.278 56.278 57.053 -0.775 19678
335 1 8 . 1 1 11 11 LYS CB C 11 33.212 33.212 32.111 1.101 19678
336 1 8 . 1 1 11 11 LYS H H 11 8.270 8.270 8.045 0.225 19678
337 1 9 . 1 1 2 2 LYS N N 2 125.040 125.040 121.278 3.762 19678
338 1 9 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.467 -0.062 19678
339 1 9 . 1 1 2 2 LYS CA C 2 56.331 56.331 55.719 0.612 19678
340 1 9 . 1 1 2 2 LYS CB C 2 33.207 33.207 34.012 -0.805 19678
341 1 9 . 1 1 2 2 LYS H H 2 8.762 8.762 8.517 0.245 19678
342 1 9 . 1 1 3 3 VAL N N 3 124.449 124.449 119.630 4.819 19678
343 1 9 . 1 1 3 3 VAL HA H 3 4.410 4.410 3.899 0.511 19678
344 1 9 . 1 1 3 3 VAL CA C 3 59.966 59.966 61.943 -1.977 19678
345 1 9 . 1 1 3 3 VAL CB C 3 32.666 32.666 31.376 1.290 19678
346 1 9 . 1 1 3 3 VAL H H 3 8.385 8.385 8.557 -0.172 19678
347 1 9 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.381 0.010 19678
348 1 9 . 1 1 4 4 PRO CA C 4 63.555 63.555 64.747 -1.192 19678
349 1 9 . 1 1 5 5 THR N N 5 115.021 115.021 111.074 3.947 19678
350 1 9 . 1 1 5 5 THR HA H 5 4.304 4.304 4.414 -0.110 19678
351 1 9 . 1 1 5 5 THR CA C 5 62.222 62.222 62.040 0.182 19678
352 1 9 . 1 1 5 5 THR CB C 5 69.945 69.945 69.581 0.364 19678
353 1 9 . 1 1 5 5 THR H H 5 8.268 8.268 7.762 0.506 19678
354 1 9 . 1 1 6 6 GLY N N 6 111.495 111.495 114.489 -2.994 19678
355 1 9 . 1 1 6 6 GLY CA C 6 45.292 45.292 44.666 0.625 19678
356 1 9 . 1 1 6 6 GLY H H 6 8.444 8.444 7.998 0.446 19678
357 1 9 . 1 1 7 7 SER N N 7 115.443 115.443 114.886 0.557 19678
358 1 9 . 1 1 7 7 SER HA H 7 4.438 4.438 4.334 0.104 19678
359 1 9 . 1 1 7 7 SER CA C 7 58.281 58.281 59.966 -1.685 19678
360 1 9 . 1 1 7 7 SER CB C 7 64.041 64.041 63.667 0.374 19678
361 1 9 . 1 1 7 7 SER H H 7 8.206 8.206 8.770 -0.564 19678
362 1 9 . 1 1 8 8 ASN N N 8 121.386 121.386 114.132 7.254 19678
363 1 9 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.977 -0.005 19678
364 1 9 . 1 1 8 8 ASN CA C 8 51.517 51.517 51.432 0.085 19678
365 1 9 . 1 1 8 8 ASN CB C 8 38.948 38.948 37.300 1.649 19678
366 1 9 . 1 1 8 8 ASN H H 8 8.511 8.511 8.099 0.412 19678
367 1 9 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.748 -0.266 19678
368 1 9 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.572 0.702 19678
369 1 9 . 1 1 10 10 GLN N N 10 120.225 120.225 119.219 1.006 19678
370 1 9 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.149 0.127 19678
371 1 9 . 1 1 10 10 GLN CA C 10 55.859 55.859 57.468 -1.609 19678
372 1 9 . 1 1 10 10 GLN CB C 10 29.518 29.518 29.124 0.394 19678
373 1 9 . 1 1 10 10 GLN H H 10 8.377 8.377 8.418 -0.041 19678
374 1 9 . 1 1 11 11 LYS N N 11 122.970 122.970 114.290 8.680 19678
375 1 9 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.330 -0.021 19678
376 1 9 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.229 0.049 19678
377 1 9 . 1 1 11 11 LYS CB C 11 33.212 33.212 31.615 1.597 19678
378 1 9 . 1 1 11 11 LYS H H 11 8.270 8.270 8.008 0.262 19678
379 1 10 . 1 1 2 2 LYS N N 2 125.040 125.040 121.735 3.305 19678
380 1 10 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.197 0.208 19678
381 1 10 . 1 1 2 2 LYS CA C 2 56.331 56.331 56.806 -0.475 19678
382 1 10 . 1 1 2 2 LYS CB C 2 33.207 33.207 32.611 0.596 19678
383 1 10 . 1 1 2 2 LYS H H 2 8.762 8.762 8.102 0.660 19678
384 1 10 . 1 1 3 3 VAL N N 3 124.449 124.449 116.269 8.180 19678
385 1 10 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.010 0.400 19678
386 1 10 . 1 1 3 3 VAL CA C 3 59.966 59.966 61.536 -1.570 19678
387 1 10 . 1 1 3 3 VAL CB C 3 32.666 32.666 29.989 2.677 19678
388 1 10 . 1 1 3 3 VAL H H 3 8.385 8.385 8.137 0.248 19678
389 1 10 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.557 -0.166 19678
390 1 10 . 1 1 4 4 PRO CA C 4 63.555 63.555 62.109 1.446 19678
391 1 10 . 1 1 5 5 THR N N 5 115.021 115.021 115.108 -0.087 19678
392 1 10 . 1 1 5 5 THR HA H 5 4.304 4.304 4.374 -0.070 19678
393 1 10 . 1 1 5 5 THR CA C 5 62.222 62.222 63.332 -1.110 19678
394 1 10 . 1 1 5 5 THR CB C 5 69.945 69.945 68.391 1.554 19678
395 1 10 . 1 1 5 5 THR H H 5 8.268 8.268 8.205 0.063 19678
396 1 10 . 1 1 6 6 GLY N N 6 111.495 111.495 113.772 -2.277 19678
397 1 10 . 1 1 6 6 GLY CA C 6 45.292 45.292 45.556 -0.264 19678
398 1 10 . 1 1 6 6 GLY H H 6 8.444 8.444 8.044 0.400 19678
399 1 10 . 1 1 7 7 SER N N 7 115.443 115.443 116.019 -0.576 19678
400 1 10 . 1 1 7 7 SER HA H 7 4.438 4.438 4.196 0.242 19678
401 1 10 . 1 1 7 7 SER CA C 7 58.281 58.281 59.253 -0.972 19678
402 1 10 . 1 1 7 7 SER CB C 7 64.041 64.041 62.440 1.601 19678
403 1 10 . 1 1 7 7 SER H H 7 8.206 8.206 8.054 0.152 19678
404 1 10 . 1 1 8 8 ASN N N 8 121.386 121.386 116.171 5.215 19678
405 1 10 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.513 0.459 19678
406 1 10 . 1 1 8 8 ASN CA C 8 51.517 51.517 53.694 -2.177 19678
407 1 10 . 1 1 8 8 ASN CB C 8 38.948 38.948 37.969 0.979 19678
408 1 10 . 1 1 8 8 ASN H H 8 8.511 8.511 8.553 -0.042 19678
409 1 10 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.598 -0.116 19678
410 1 10 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.554 0.720 19678
411 1 10 . 1 1 10 10 GLN N N 10 120.225 120.225 123.153 -2.928 19678
412 1 10 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.148 0.128 19678
413 1 10 . 1 1 10 10 GLN CA C 10 55.859 55.859 56.770 -0.911 19678
414 1 10 . 1 1 10 10 GLN CB C 10 29.518 29.518 29.378 0.140 19678
415 1 10 . 1 1 10 10 GLN H H 10 8.377 8.377 8.218 0.159 19678
416 1 10 . 1 1 11 11 LYS N N 11 122.970 122.970 115.124 7.846 19678
417 1 10 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.153 0.156 19678
418 1 10 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.995 -0.717 19678
419 1 10 . 1 1 11 11 LYS CB C 11 33.212 33.212 31.655 1.557 19678
420 1 10 . 1 1 11 11 LYS H H 11 8.270 8.270 8.620 -0.350 19678
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 8 3.492 -2.549 2.552 19678
2 1 1 "Average Difference" HA 10 0.223 0.032 0.233 19678
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19678
4 1 1 "Average Difference" CA 10 1.001 0.341 0.992 19678
5 1 1 "Average Difference" CB 7 1.374 -0.631 1.319 19678
6 1 1 "Average Difference" HN 8 0.389 -0.278 0.290 19678
7 1 2 "Average Difference" N 8 3.575 -1.714 3.354 19678
8 1 2 "Average Difference" HA 10 0.225 -0.082 0.221 19678
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19678
10 1 2 "Average Difference" CA 10 1.097 0.203 1.137 19678
11 1 2 "Average Difference" CB 7 1.600 -1.259 1.067 19678
12 1 2 "Average Difference" HN 8 0.377 -0.209 0.335 19678
13 1 3 "Average Difference" N 8 5.460 -3.287 4.661 19678
14 1 3 "Average Difference" HA 10 0.205 -0.038 0.212 19678
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19678
16 1 3 "Average Difference" CA 10 1.112 0.296 1.130 19678
17 1 3 "Average Difference" CB 7 1.005 -0.721 0.756 19678
18 1 3 "Average Difference" HN 8 0.435 -0.248 0.382 19678
19 1 4 "Average Difference" N 8 2.226 -0.112 2.377 19678
20 1 4 "Average Difference" HA 10 0.196 -0.037 0.203 19678
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19678
22 1 4 "Average Difference" CA 10 0.978 0.173 1.014 19678
23 1 4 "Average Difference" CB 7 1.058 -0.479 1.019 19678
24 1 4 "Average Difference" HN 8 0.383 -0.106 0.393 19678
25 1 5 "Average Difference" N 8 5.341 -1.188 5.567 19678
26 1 5 "Average Difference" HA 10 0.258 -0.111 0.245 19678
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19678
28 1 5 "Average Difference" CA 10 1.177 0.480 1.133 19678
29 1 5 "Average Difference" CB 7 1.102 -0.781 0.840 19678
30 1 5 "Average Difference" HN 8 0.272 -0.036 0.288 19678
31 1 6 "Average Difference" N 8 1.970 -0.888 1.881 19678
32 1 6 "Average Difference" HA 10 0.217 -0.088 0.209 19678
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19678
34 1 6 "Average Difference" CA 10 1.062 -0.009 1.120 19678
35 1 6 "Average Difference" CB 7 1.484 -1.374 0.607 19678
36 1 6 "Average Difference" HN 8 0.370 -0.295 0.240 19678
37 1 7 "Average Difference" N 8 3.409 -1.785 3.104 19678
38 1 7 "Average Difference" HA 10 0.252 -0.057 0.258 19678
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19678
40 1 7 "Average Difference" CA 10 1.235 0.266 1.272 19678
41 1 7 "Average Difference" CB 7 1.355 -0.793 1.187 19678
42 1 7 "Average Difference" HN 8 0.461 -0.257 0.409 19678
43 1 8 "Average Difference" N 8 5.369 -3.068 4.710 19678
44 1 8 "Average Difference" HA 10 0.180 -0.036 0.186 19678
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19678
46 1 8 "Average Difference" CA 10 0.715 0.238 0.711 19678
47 1 8 "Average Difference" CB 7 1.011 -0.506 0.946 19678
48 1 8 "Average Difference" HN 8 0.529 -0.373 0.401 19678
49 1 9 "Average Difference" N 8 4.889 -3.379 3.777 19678
50 1 9 "Average Difference" HA 10 0.195 -0.037 0.202 19678
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19678
52 1 9 "Average Difference" CA 10 1.098 0.421 1.069 19678
53 1 9 "Average Difference" CB 7 1.070 -0.695 0.878 19678
54 1 9 "Average Difference" HN 8 0.371 -0.137 0.369 19678
55 1 10 "Average Difference" N 8 4.752 -2.335 4.425 19678
56 1 10 "Average Difference" HA 10 0.237 -0.129 0.210 19678
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19678
58 1 10 "Average Difference" CA 10 1.167 0.603 1.054 19678
59 1 10 "Average Difference" CB 7 1.507 -1.301 0.823 19678
60 1 10 "Average Difference" HN 8 0.323 -0.161 0.299 19678
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 19678
_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 LYS N N 2 125.040 125.040 122.304 2.736 19678
2 1 . 1 1 2 2 LYS HA H 2 4.405 4.405 4.383 0.023 19678
3 1 . 1 1 2 2 LYS CA C 2 56.331 56.331 56.368 -0.037 19678
4 1 . 1 1 2 2 LYS CB C 2 33.207 33.207 33.111 0.096 19678
5 1 . 1 1 2 2 LYS H H 2 8.762 8.762 8.297 0.465 19678
6 1 . 1 1 3 3 VAL N N 3 124.449 124.449 119.275 5.174 19678
7 1 . 1 1 3 3 VAL HA H 3 4.410 4.410 4.279 0.131 19678
8 1 . 1 1 3 3 VAL CA C 3 59.966 59.966 60.256 -0.290 19678
9 1 . 1 1 3 3 VAL CB C 3 32.666 32.666 31.397 1.269 19678
10 1 . 1 1 3 3 VAL H H 3 8.385 8.385 8.171 0.214 19678
11 1 . 1 1 4 4 PRO HA H 4 4.391 4.391 4.513 -0.122 19678
12 1 . 1 1 4 4 PRO CA C 4 63.555 63.555 63.608 -0.053 19678
13 1 . 1 1 5 5 THR N N 5 115.021 115.021 112.883 2.138 19678
14 1 . 1 1 5 5 THR HA H 5 4.304 4.304 4.324 -0.020 19678
15 1 . 1 1 5 5 THR CA C 5 62.222 62.222 62.486 -0.264 19678
16 1 . 1 1 5 5 THR CB C 5 69.945 69.945 69.371 0.574 19678
17 1 . 1 1 5 5 THR H H 5 8.268 8.268 7.889 0.379 19678
18 1 . 1 1 6 6 GLY N N 6 111.495 111.495 113.037 -1.542 19678
19 1 . 1 1 6 6 GLY CA C 6 45.292 45.292 45.088 0.204 19678
20 1 . 1 1 6 6 GLY H H 6 8.444 8.444 8.249 0.195 19678
21 1 . 1 1 7 7 SER N N 7 115.443 115.443 116.858 -1.415 19678
22 1 . 1 1 7 7 SER HA H 7 4.438 4.438 4.367 0.070 19678
23 1 . 1 1 7 7 SER CA C 7 58.281 58.281 58.590 -0.309 19678
24 1 . 1 1 7 7 SER CB C 7 64.041 64.041 62.807 1.234 19678
25 1 . 1 1 7 7 SER H H 7 8.206 8.206 8.254 -0.048 19678
26 1 . 1 1 8 8 ASN N N 8 121.386 121.386 118.992 2.394 19678
27 1 . 1 1 8 8 ASN HA H 8 4.972 4.972 4.699 0.273 19678
28 1 . 1 1 8 8 ASN CA C 8 51.517 51.517 52.836 -1.319 19678
29 1 . 1 1 8 8 ASN CB C 8 38.948 38.948 38.381 0.567 19678
30 1 . 1 1 8 8 ASN H H 8 8.511 8.511 8.213 0.298 19678
31 1 . 1 1 9 9 PRO HA H 9 4.482 4.482 4.633 -0.151 19678
32 1 . 1 1 9 9 PRO CA C 9 63.274 63.274 62.783 0.491 19678
33 1 . 1 1 10 10 GLN N N 10 120.225 120.225 119.891 0.334 19678
34 1 . 1 1 10 10 GLN HA H 10 4.276 4.276 4.190 0.086 19678
35 1 . 1 1 10 10 GLN CA C 10 55.859 55.859 56.734 -0.875 19678
36 1 . 1 1 10 10 GLN CB C 10 29.518 29.518 28.896 0.622 19678
37 1 . 1 1 10 10 GLN H H 10 8.377 8.377 8.217 0.160 19678
38 1 . 1 1 11 11 LYS N N 11 122.970 122.970 116.544 6.426 19678
39 1 . 1 1 11 11 LYS HA H 11 4.309 4.309 4.191 0.118 19678
40 1 . 1 1 11 11 LYS CA C 11 56.278 56.278 56.837 -0.559 19678
41 1 . 1 1 11 11 LYS CB C 11 33.212 33.212 31.597 1.615 19678
42 1 . 1 1 11 11 LYS H H 11 8.270 8.270 8.254 0.016 19678
stop_
save_