data_26057
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26057
_Entry.PDB_ID 2NDE
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 26057
_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 GLY CA C 2 43.423 43.423 44.941 -1.518 26057
2 1 1 . 1 1 2 2 GLY H H 2 8.193 8.193 7.946 0.247 26057
3 1 1 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.811 -0.514 26057
4 1 1 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.296 0.253 26057
5 1 1 . 1 1 3 3 LEU CB C 3 40.522 40.522 43.056 -2.534 26057
6 1 1 . 1 1 3 3 LEU H H 3 8.165 8.165 7.932 0.233 26057
7 1 1 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.336 -0.230 26057
8 1 1 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.588 0.653 26057
9 1 1 . 1 1 4 4 ARG CB C 4 30.345 30.345 29.562 0.783 26057
10 1 1 . 1 1 4 4 ARG H H 4 8.213 8.213 8.658 -0.445 26057
11 1 1 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.931 -2.690 26057
12 1 1 . 1 1 5 5 GLY H H 5 8.290 8.290 8.447 -0.157 26057
13 1 1 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.482 -0.332 26057
14 1 1 . 1 1 6 6 LEU CA C 6 55.648 55.648 53.485 2.163 26057
15 1 1 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.273 -1.206 26057
16 1 1 . 1 1 6 6 LEU H H 6 8.087 8.087 8.430 -0.343 26057
17 1 1 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.324 0.055 26057
18 1 1 . 1 1 7 7 GLY H H 7 8.512 8.512 7.800 0.712 26057
19 1 1 . 1 1 8 8 ARG HA H 8 4.151 4.151 4.038 0.113 26057
20 1 1 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.251 -1.691 26057
21 1 1 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.027 -2.101 26057
22 1 1 . 1 1 8 8 ARG H H 8 7.806 7.806 8.344 -0.538 26057
23 1 1 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.216 -0.425 26057
24 1 1 . 1 1 9 9 LYS H H 9 7.826 7.826 8.316 -0.490 26057
25 1 1 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.241 -0.470 26057
26 1 1 . 1 1 10 10 ILE CA C 10 62.700 62.700 59.910 2.789 26057
27 1 1 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.480 0.165 26057
28 1 1 . 1 1 10 10 ILE H H 10 8.099 8.099 7.902 0.197 26057
29 1 1 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.450 -0.307 26057
30 1 1 . 1 1 11 11 ALA CA C 11 53.065 53.065 54.814 -1.749 26057
31 1 1 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.744 -2.334 26057
32 1 1 . 1 1 11 11 ALA H H 11 8.193 8.193 7.322 0.871 26057
33 1 1 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.153 0.005 26057
34 1 1 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.920 -1.867 26057
35 1 1 . 1 1 12 12 LEU H H 12 7.868 7.868 8.014 -0.146 26057
36 1 1 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.209 -0.316 26057
37 1 1 . 1 1 13 13 ILE CA C 13 62.210 62.210 60.331 1.879 26057
38 1 1 . 1 1 13 13 ILE CB C 13 36.118 36.118 36.745 -0.627 26057
39 1 1 . 1 1 13 13 ILE H H 13 7.939 7.939 8.279 -0.340 26057
40 1 1 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.976 0.553 26057
41 1 1 . 1 1 14 14 HIS CA C 14 55.534 55.534 60.114 -4.580 26057
42 1 1 . 1 1 14 14 HIS CB C 14 26.655 26.655 29.955 -3.300 26057
43 1 1 . 1 1 14 14 HIS H H 14 8.306 8.306 7.790 0.516 26057
44 1 1 . 1 1 15 15 LYS HA H 15 4.067 4.067 4.132 -0.065 26057
45 1 1 . 1 1 15 15 LYS CA C 15 58.353 58.353 58.195 0.158 26057
46 1 1 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.672 -3.815 26057
47 1 1 . 1 1 15 15 LYS H H 15 8.046 8.046 8.290 -0.244 26057
48 1 1 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.207 -0.124 26057
49 1 1 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.553 -2.519 26057
50 1 1 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.385 -2.498 26057
51 1 1 . 1 1 16 16 LYS H H 16 7.896 7.896 8.025 -0.129 26057
52 1 1 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.926 -0.290 26057
53 1 1 . 1 1 17 17 TYR CA C 17 56.426 56.426 57.130 -0.704 26057
54 1 1 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.776 -2.348 26057
55 1 1 . 1 1 17 17 TYR H H 17 7.926 7.926 7.697 0.229 26057
56 1 2 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.525 -1.102 26057
57 1 2 . 1 1 2 2 GLY H H 2 8.193 8.193 8.378 -0.185 26057
58 1 2 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.527 -0.230 26057
59 1 2 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.119 0.430 26057
60 1 2 . 1 1 3 3 LEU CB C 3 40.522 40.522 42.912 -2.390 26057
61 1 2 . 1 1 3 3 LEU H H 3 8.165 8.165 8.397 -0.232 26057
62 1 2 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.236 -0.130 26057
63 1 2 . 1 1 4 4 ARG CA C 4 56.241 56.241 56.187 0.054 26057
64 1 2 . 1 1 4 4 ARG CB C 4 30.345 30.345 29.918 0.427 26057
65 1 2 . 1 1 4 4 ARG H H 4 8.213 8.213 8.593 -0.380 26057
66 1 2 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.161 -1.920 26057
67 1 2 . 1 1 5 5 GLY H H 5 8.290 8.290 8.312 -0.022 26057
68 1 2 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.591 -0.441 26057
69 1 2 . 1 1 6 6 LEU CA C 6 55.648 55.648 55.368 0.279 26057
70 1 2 . 1 1 6 6 LEU CB C 6 40.067 40.067 42.151 -2.084 26057
71 1 2 . 1 1 6 6 LEU H H 6 8.087 8.087 8.188 -0.101 26057
72 1 2 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.323 0.056 26057
73 1 2 . 1 1 7 7 GLY H H 7 8.512 8.512 8.008 0.504 26057
74 1 2 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.793 0.358 26057
75 1 2 . 1 1 8 8 ARG CA C 8 56.560 56.560 59.132 -2.572 26057
76 1 2 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.273 -2.347 26057
77 1 2 . 1 1 8 8 ARG H H 8 7.806 7.806 8.370 -0.564 26057
78 1 2 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.264 -0.473 26057
79 1 2 . 1 1 9 9 LYS H H 9 7.826 7.826 8.020 -0.194 26057
80 1 2 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.352 -0.581 26057
81 1 2 . 1 1 10 10 ILE CA C 10 62.700 62.700 58.895 3.805 26057
82 1 2 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.441 0.204 26057
83 1 2 . 1 1 10 10 ILE H H 10 8.099 8.099 7.783 0.316 26057
84 1 2 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.122 0.021 26057
85 1 2 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.505 -2.439 26057
86 1 2 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.426 -2.016 26057
87 1 2 . 1 1 11 11 ALA H H 11 8.193 8.193 8.176 0.017 26057
88 1 2 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.000 0.158 26057
89 1 2 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.791 -1.738 26057
90 1 2 . 1 1 12 12 LEU H H 12 7.868 7.868 8.119 -0.251 26057
91 1 2 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.092 -0.199 26057
92 1 2 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.229 0.981 26057
93 1 2 . 1 1 13 13 ILE CB C 13 36.118 36.118 36.798 -0.680 26057
94 1 2 . 1 1 13 13 ILE H H 13 7.939 7.939 8.006 -0.067 26057
95 1 2 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.404 1.125 26057
96 1 2 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.875 -4.341 26057
97 1 2 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.124 -3.469 26057
98 1 2 . 1 1 14 14 HIS H H 14 8.306 8.306 8.556 -0.250 26057
99 1 2 . 1 1 15 15 LYS HA H 15 4.067 4.067 3.809 0.258 26057
100 1 2 . 1 1 15 15 LYS CA C 15 58.353 58.353 57.888 0.465 26057
101 1 2 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.725 -3.868 26057
102 1 2 . 1 1 15 15 LYS H H 15 8.046 8.046 7.620 0.426 26057
103 1 2 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.076 0.007 26057
104 1 2 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.522 -2.488 26057
105 1 2 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.385 -2.498 26057
106 1 2 . 1 1 16 16 LYS H H 16 7.896 7.896 7.519 0.377 26057
107 1 2 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.953 -0.317 26057
108 1 2 . 1 1 17 17 TYR CA C 17 56.426 56.426 57.276 -0.850 26057
109 1 2 . 1 1 17 17 TYR CB C 17 37.428 37.428 40.191 -2.763 26057
110 1 2 . 1 1 17 17 TYR H H 17 7.926 7.926 7.276 0.650 26057
111 1 3 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.519 -1.096 26057
112 1 3 . 1 1 2 2 GLY H H 2 8.193 8.193 8.443 -0.250 26057
113 1 3 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.829 -0.532 26057
114 1 3 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.097 0.452 26057
115 1 3 . 1 1 3 3 LEU CB C 3 40.522 40.522 43.316 -2.794 26057
116 1 3 . 1 1 3 3 LEU H H 3 8.165 8.165 7.887 0.278 26057
117 1 3 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.272 -0.166 26057
118 1 3 . 1 1 4 4 ARG CA C 4 56.241 56.241 56.326 -0.085 26057
119 1 3 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.453 -0.108 26057
120 1 3 . 1 1 4 4 ARG H H 4 8.213 8.213 8.709 -0.496 26057
121 1 3 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.808 -2.567 26057
122 1 3 . 1 1 5 5 GLY H H 5 8.290 8.290 8.441 -0.151 26057
123 1 3 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.471 -0.321 26057
124 1 3 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.087 1.561 26057
125 1 3 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.003 -0.936 26057
126 1 3 . 1 1 6 6 LEU H H 6 8.087 8.087 8.371 -0.284 26057
127 1 3 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.698 -0.319 26057
128 1 3 . 1 1 7 7 GLY H H 7 8.512 8.512 8.153 0.359 26057
129 1 3 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.875 0.276 26057
130 1 3 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.952 -2.392 26057
131 1 3 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.136 -2.210 26057
132 1 3 . 1 1 8 8 ARG H H 8 7.806 7.806 8.253 -0.447 26057
133 1 3 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.178 -0.387 26057
134 1 3 . 1 1 9 9 LYS H H 9 7.826 7.826 8.120 -0.294 26057
135 1 3 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.368 -0.597 26057
136 1 3 . 1 1 10 10 ILE CA C 10 62.700 62.700 59.038 3.662 26057
137 1 3 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.295 0.350 26057
138 1 3 . 1 1 10 10 ILE H H 10 8.099 8.099 7.758 0.341 26057
139 1 3 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.194 -0.051 26057
140 1 3 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.421 -2.356 26057
141 1 3 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.293 -1.883 26057
142 1 3 . 1 1 11 11 ALA H H 11 8.193 8.193 7.641 0.552 26057
143 1 3 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.027 0.131 26057
144 1 3 . 1 1 12 12 LEU CB C 12 40.053 40.053 42.234 -2.181 26057
145 1 3 . 1 1 12 12 LEU H H 12 7.868 7.868 7.992 -0.124 26057
146 1 3 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.114 -0.221 26057
147 1 3 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.839 0.371 26057
148 1 3 . 1 1 13 13 ILE CB C 13 36.118 36.118 37.091 -0.973 26057
149 1 3 . 1 1 13 13 ILE H H 13 7.939 7.939 8.093 -0.154 26057
150 1 3 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.670 0.859 26057
151 1 3 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.525 -3.991 26057
152 1 3 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.041 -3.386 26057
153 1 3 . 1 1 14 14 HIS H H 14 8.306 8.306 8.435 -0.129 26057
154 1 3 . 1 1 15 15 LYS HA H 15 4.067 4.067 4.220 -0.153 26057
155 1 3 . 1 1 15 15 LYS CA C 15 58.353 58.353 57.592 0.761 26057
156 1 3 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.812 -3.955 26057
157 1 3 . 1 1 15 15 LYS H H 15 8.046 8.046 7.916 0.130 26057
158 1 3 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.164 -0.081 26057
159 1 3 . 1 1 16 16 LYS CA C 16 56.034 56.034 57.589 -1.555 26057
160 1 3 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.266 -2.379 26057
161 1 3 . 1 1 16 16 LYS H H 16 7.896 7.896 7.728 0.168 26057
162 1 3 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.966 -0.330 26057
163 1 3 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.756 -0.330 26057
164 1 3 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.751 -2.323 26057
165 1 3 . 1 1 17 17 TYR H H 17 7.926 7.926 7.577 0.349 26057
166 1 4 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.302 -0.879 26057
167 1 4 . 1 1 2 2 GLY H H 2 8.193 8.193 8.219 -0.026 26057
168 1 4 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.500 -0.203 26057
169 1 4 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.546 0.003 26057
170 1 4 . 1 1 3 3 LEU CB C 3 40.522 40.522 42.721 -2.200 26057
171 1 4 . 1 1 3 3 LEU H H 3 8.165 8.165 8.340 -0.175 26057
172 1 4 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.234 -0.128 26057
173 1 4 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.816 0.425 26057
174 1 4 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.108 0.237 26057
175 1 4 . 1 1 4 4 ARG H H 4 8.213 8.213 8.626 -0.413 26057
176 1 4 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.761 -2.520 26057
177 1 4 . 1 1 5 5 GLY H H 5 8.290 8.290 8.446 -0.156 26057
178 1 4 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.663 -0.513 26057
179 1 4 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.547 1.101 26057
180 1 4 . 1 1 6 6 LEU CB C 6 40.067 40.067 40.983 -0.916 26057
181 1 4 . 1 1 6 6 LEU H H 6 8.087 8.087 8.370 -0.283 26057
182 1 4 . 1 1 7 7 GLY CA C 7 45.379 45.379 46.481 -1.102 26057
183 1 4 . 1 1 7 7 GLY H H 7 8.512 8.512 8.623 -0.111 26057
184 1 4 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.545 0.606 26057
185 1 4 . 1 1 8 8 ARG CA C 8 56.560 56.560 59.197 -2.636 26057
186 1 4 . 1 1 8 8 ARG CB C 8 27.926 27.926 28.503 -0.577 26057
187 1 4 . 1 1 8 8 ARG H H 8 7.806 7.806 7.990 -0.184 26057
188 1 4 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.184 -0.393 26057
189 1 4 . 1 1 9 9 LYS H H 9 7.826 7.826 8.126 -0.300 26057
190 1 4 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.260 -0.489 26057
191 1 4 . 1 1 10 10 ILE CA C 10 62.700 62.700 58.783 3.917 26057
192 1 4 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.518 0.127 26057
193 1 4 . 1 1 10 10 ILE H H 10 8.099 8.099 8.374 -0.275 26057
194 1 4 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.120 0.023 26057
195 1 4 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.372 -2.307 26057
196 1 4 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.422 -2.012 26057
197 1 4 . 1 1 11 11 ALA H H 11 8.193 8.193 7.678 0.515 26057
198 1 4 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.005 0.153 26057
199 1 4 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.824 -1.770 26057
200 1 4 . 1 1 12 12 LEU H H 12 7.868 7.868 7.988 -0.120 26057
201 1 4 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.105 -0.212 26057
202 1 4 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.849 0.360 26057
203 1 4 . 1 1 13 13 ILE CB C 13 36.118 36.118 37.084 -0.966 26057
204 1 4 . 1 1 13 13 ILE H H 13 7.939 7.939 8.340 -0.401 26057
205 1 4 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.701 0.828 26057
206 1 4 . 1 1 14 14 HIS CA C 14 55.534 55.534 60.074 -4.540 26057
207 1 4 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.192 -3.537 26057
208 1 4 . 1 1 14 14 HIS H H 14 8.306 8.306 8.187 0.119 26057
209 1 4 . 1 1 15 15 LYS HA H 15 4.067 4.067 4.136 -0.069 26057
210 1 4 . 1 1 15 15 LYS CA C 15 58.353 58.353 57.431 0.922 26057
211 1 4 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.902 -4.045 26057
212 1 4 . 1 1 15 15 LYS H H 15 8.046 8.046 7.930 0.116 26057
213 1 4 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.115 -0.032 26057
214 1 4 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.586 -2.552 26057
215 1 4 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.365 -2.478 26057
216 1 4 . 1 1 16 16 LYS H H 16 7.896 7.896 7.741 0.155 26057
217 1 4 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.936 -0.300 26057
218 1 4 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.870 -0.444 26057
219 1 4 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.514 -2.086 26057
220 1 4 . 1 1 17 17 TYR H H 17 7.926 7.926 7.353 0.573 26057
221 1 5 . 1 1 2 2 GLY CA C 2 43.423 43.423 45.198 -1.775 26057
222 1 5 . 1 1 2 2 GLY H H 2 8.193 8.193 8.030 0.163 26057
223 1 5 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.614 -0.317 26057
224 1 5 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.529 0.020 26057
225 1 5 . 1 1 3 3 LEU CB C 3 40.522 40.522 43.583 -3.061 26057
226 1 5 . 1 1 3 3 LEU H H 3 8.165 8.165 7.750 0.415 26057
227 1 5 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.309 -0.203 26057
228 1 5 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.623 0.618 26057
229 1 5 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.212 0.133 26057
230 1 5 . 1 1 4 4 ARG H H 4 8.213 8.213 8.933 -0.720 26057
231 1 5 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.865 -2.624 26057
232 1 5 . 1 1 5 5 GLY H H 5 8.290 8.290 8.424 -0.134 26057
233 1 5 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.570 -0.420 26057
234 1 5 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.236 1.412 26057
235 1 5 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.144 -1.077 26057
236 1 5 . 1 1 6 6 LEU H H 6 8.087 8.087 8.467 -0.380 26057
237 1 5 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.479 -0.100 26057
238 1 5 . 1 1 7 7 GLY H H 7 8.512 8.512 8.257 0.255 26057
239 1 5 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.851 0.300 26057
240 1 5 . 1 1 8 8 ARG CA C 8 56.560 56.560 59.020 -2.460 26057
241 1 5 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.194 -2.268 26057
242 1 5 . 1 1 8 8 ARG H H 8 7.806 7.806 8.463 -0.657 26057
243 1 5 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.304 -0.513 26057
244 1 5 . 1 1 9 9 LYS H H 9 7.826 7.826 8.182 -0.356 26057
245 1 5 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.270 -0.499 26057
246 1 5 . 1 1 10 10 ILE CA C 10 62.700 62.700 59.775 2.925 26057
247 1 5 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.673 -0.028 26057
248 1 5 . 1 1 10 10 ILE H H 10 8.099 8.099 7.771 0.329 26057
249 1 5 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.164 -0.021 26057
250 1 5 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.431 -2.366 26057
251 1 5 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.355 -1.944 26057
252 1 5 . 1 1 11 11 ALA H H 11 8.193 8.193 8.108 0.085 26057
253 1 5 . 1 1 12 12 LEU HA H 12 4.158 4.158 3.964 0.194 26057
254 1 5 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.736 -1.683 26057
255 1 5 . 1 1 12 12 LEU H H 12 7.868 7.868 7.990 -0.122 26057
256 1 5 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.071 -0.178 26057
257 1 5 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.222 0.988 26057
258 1 5 . 1 1 13 13 ILE CB C 13 36.118 36.118 36.824 -0.706 26057
259 1 5 . 1 1 13 13 ILE H H 13 7.939 7.939 8.272 -0.333 26057
260 1 5 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.533 0.996 26057
261 1 5 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.552 -4.018 26057
262 1 5 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.057 -3.402 26057
263 1 5 . 1 1 14 14 HIS H H 14 8.306 8.306 7.970 0.336 26057
264 1 5 . 1 1 15 15 LYS HA H 15 4.067 4.067 3.930 0.137 26057
265 1 5 . 1 1 15 15 LYS CA C 15 58.353 58.353 58.196 0.157 26057
266 1 5 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.845 -3.988 26057
267 1 5 . 1 1 15 15 LYS H H 15 8.046 8.046 7.788 0.258 26057
268 1 5 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.087 -0.004 26057
269 1 5 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.288 -2.254 26057
270 1 5 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.344 -2.457 26057
271 1 5 . 1 1 16 16 LYS H H 16 7.896 7.896 7.509 0.387 26057
272 1 5 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.954 -0.318 26057
273 1 5 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.373 0.053 26057
274 1 5 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.572 -2.144 26057
275 1 5 . 1 1 17 17 TYR H H 17 7.926 7.926 7.382 0.544 26057
276 1 6 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.993 -1.570 26057
277 1 6 . 1 1 2 2 GLY H H 2 8.193 8.193 8.034 0.159 26057
278 1 6 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.704 -0.407 26057
279 1 6 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.696 -0.147 26057
280 1 6 . 1 1 3 3 LEU CB C 3 40.522 40.522 43.124 -2.602 26057
281 1 6 . 1 1 3 3 LEU H H 3 8.165 8.165 8.036 0.129 26057
282 1 6 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.317 -0.211 26057
283 1 6 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.890 0.351 26057
284 1 6 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.370 -0.025 26057
285 1 6 . 1 1 4 4 ARG H H 4 8.213 8.213 8.934 -0.721 26057
286 1 6 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.841 -2.600 26057
287 1 6 . 1 1 5 5 GLY H H 5 8.290 8.290 8.458 -0.168 26057
288 1 6 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.652 -0.502 26057
289 1 6 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.190 1.458 26057
290 1 6 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.250 -1.183 26057
291 1 6 . 1 1 6 6 LEU H H 6 8.087 8.087 8.396 -0.309 26057
292 1 6 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.663 -0.284 26057
293 1 6 . 1 1 7 7 GLY H H 7 8.512 8.512 8.206 0.306 26057
294 1 6 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.922 0.229 26057
295 1 6 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.578 -2.018 26057
296 1 6 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.170 -2.244 26057
297 1 6 . 1 1 8 8 ARG H H 8 7.806 7.806 8.277 -0.471 26057
298 1 6 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.245 -0.454 26057
299 1 6 . 1 1 9 9 LYS H H 9 7.826 7.826 8.044 -0.218 26057
300 1 6 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.300 -0.529 26057
301 1 6 . 1 1 10 10 ILE CA C 10 62.700 62.700 59.302 3.398 26057
302 1 6 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.299 0.346 26057
303 1 6 . 1 1 10 10 ILE H H 10 8.099 8.099 7.980 0.119 26057
304 1 6 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.228 -0.085 26057
305 1 6 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.151 -2.086 26057
306 1 6 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.457 -2.047 26057
307 1 6 . 1 1 11 11 ALA H H 11 8.193 8.193 8.209 -0.016 26057
308 1 6 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.030 0.128 26057
309 1 6 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.822 -1.769 26057
310 1 6 . 1 1 12 12 LEU H H 12 7.868 7.868 8.088 -0.220 26057
311 1 6 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.099 -0.206 26057
312 1 6 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.590 0.620 26057
313 1 6 . 1 1 13 13 ILE CB C 13 36.118 36.118 37.005 -0.888 26057
314 1 6 . 1 1 13 13 ILE H H 13 7.939 7.939 7.972 -0.033 26057
315 1 6 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.466 1.063 26057
316 1 6 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.952 -4.418 26057
317 1 6 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.092 -3.437 26057
318 1 6 . 1 1 14 14 HIS H H 14 8.306 8.306 8.571 -0.265 26057
319 1 6 . 1 1 15 15 LYS HA H 15 4.067 4.067 4.290 -0.223 26057
320 1 6 . 1 1 15 15 LYS CA C 15 58.353 58.353 56.877 1.476 26057
321 1 6 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.709 -3.852 26057
322 1 6 . 1 1 15 15 LYS H H 15 8.046 8.046 7.665 0.381 26057
323 1 6 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.145 -0.062 26057
324 1 6 . 1 1 16 16 LYS CA C 16 56.034 56.034 57.384 -1.350 26057
325 1 6 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.229 -2.342 26057
326 1 6 . 1 1 16 16 LYS H H 16 7.896 7.896 7.664 0.232 26057
327 1 6 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.992 -0.356 26057
328 1 6 . 1 1 17 17 TYR CA C 17 56.426 56.426 57.121 -0.695 26057
329 1 6 . 1 1 17 17 TYR CB C 17 37.428 37.428 40.216 -2.788 26057
330 1 6 . 1 1 17 17 TYR H H 17 7.926 7.926 7.280 0.646 26057
331 1 7 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.934 -1.512 26057
332 1 7 . 1 1 2 2 GLY H H 2 8.193 8.193 8.390 -0.197 26057
333 1 7 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.504 -0.207 26057
334 1 7 . 1 1 3 3 LEU CA C 3 54.549 54.549 55.099 -0.550 26057
335 1 7 . 1 1 3 3 LEU CB C 3 40.522 40.522 42.214 -1.692 26057
336 1 7 . 1 1 3 3 LEU H H 3 8.165 8.165 8.210 -0.045 26057
337 1 7 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.346 -0.240 26057
338 1 7 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.119 1.122 26057
339 1 7 . 1 1 4 4 ARG CB C 4 30.345 30.345 29.448 0.897 26057
340 1 7 . 1 1 4 4 ARG H H 4 8.213 8.213 8.515 -0.302 26057
341 1 7 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.290 -2.049 26057
342 1 7 . 1 1 5 5 GLY H H 5 8.290 8.290 8.133 0.157 26057
343 1 7 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.546 -0.396 26057
344 1 7 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.408 1.240 26057
345 1 7 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.564 -1.497 26057
346 1 7 . 1 1 6 6 LEU H H 6 8.087 8.087 8.012 0.075 26057
347 1 7 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.455 -0.076 26057
348 1 7 . 1 1 7 7 GLY H H 7 8.512 8.512 8.088 0.424 26057
349 1 7 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.843 0.308 26057
350 1 7 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.744 -2.184 26057
351 1 7 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.182 -2.256 26057
352 1 7 . 1 1 8 8 ARG H H 8 7.806 7.806 8.205 -0.399 26057
353 1 7 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.277 -0.486 26057
354 1 7 . 1 1 9 9 LYS H H 9 7.826 7.826 8.268 -0.442 26057
355 1 7 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.091 -0.320 26057
356 1 7 . 1 1 10 10 ILE CA C 10 62.700 62.700 60.707 1.993 26057
357 1 7 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.962 -0.316 26057
358 1 7 . 1 1 10 10 ILE H H 10 8.099 8.099 8.021 0.078 26057
359 1 7 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.144 -0.001 26057
360 1 7 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.288 -2.223 26057
361 1 7 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.608 -2.198 26057
362 1 7 . 1 1 11 11 ALA H H 11 8.193 8.193 7.987 0.206 26057
363 1 7 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.029 0.129 26057
364 1 7 . 1 1 12 12 LEU CB C 12 40.053 40.053 40.830 -0.776 26057
365 1 7 . 1 1 12 12 LEU H H 12 7.868 7.868 8.129 -0.261 26057
366 1 7 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.060 -0.167 26057
367 1 7 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.710 0.500 26057
368 1 7 . 1 1 13 13 ILE CB C 13 36.118 36.118 37.117 -0.999 26057
369 1 7 . 1 1 13 13 ILE H H 13 7.939 7.939 8.122 -0.183 26057
370 1 7 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.420 1.109 26057
371 1 7 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.835 -4.301 26057
372 1 7 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.226 -3.571 26057
373 1 7 . 1 1 14 14 HIS H H 14 8.306 8.306 8.512 -0.206 26057
374 1 7 . 1 1 15 15 LYS HA H 15 4.067 4.067 3.789 0.278 26057
375 1 7 . 1 1 15 15 LYS CA C 15 58.353 58.353 58.267 0.086 26057
376 1 7 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.884 -4.027 26057
377 1 7 . 1 1 15 15 LYS H H 15 8.046 8.046 7.915 0.131 26057
378 1 7 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.055 0.028 26057
379 1 7 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.113 -2.079 26057
380 1 7 . 1 1 16 16 LYS CB C 16 30.887 30.887 32.820 -1.933 26057
381 1 7 . 1 1 16 16 LYS H H 16 7.896 7.896 7.490 0.406 26057
382 1 7 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.959 -0.323 26057
383 1 7 . 1 1 17 17 TYR CA C 17 56.426 56.426 57.227 -0.801 26057
384 1 7 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.968 -2.540 26057
385 1 7 . 1 1 17 17 TYR H H 17 7.926 7.926 7.126 0.800 26057
386 1 8 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.194 -0.771 26057
387 1 8 . 1 1 2 2 GLY H H 2 8.193 8.193 8.140 0.053 26057
388 1 8 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.877 -0.580 26057
389 1 8 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.211 0.338 26057
390 1 8 . 1 1 3 3 LEU CB C 3 40.522 40.522 43.015 -2.493 26057
391 1 8 . 1 1 3 3 LEU H H 3 8.165 8.165 8.467 -0.302 26057
392 1 8 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.442 -0.336 26057
393 1 8 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.743 0.498 26057
394 1 8 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.845 -0.499 26057
395 1 8 . 1 1 4 4 ARG H H 4 8.213 8.213 8.633 -0.420 26057
396 1 8 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.649 -2.408 26057
397 1 8 . 1 1 5 5 GLY H H 5 8.290 8.290 8.295 -0.005 26057
398 1 8 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.688 -0.538 26057
399 1 8 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.292 1.356 26057
400 1 8 . 1 1 6 6 LEU CB C 6 40.067 40.067 42.133 -2.067 26057
401 1 8 . 1 1 6 6 LEU H H 6 8.087 8.087 8.214 -0.127 26057
402 1 8 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.642 -0.263 26057
403 1 8 . 1 1 7 7 GLY H H 7 8.512 8.512 8.200 0.312 26057
404 1 8 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.853 0.298 26057
405 1 8 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.941 -2.381 26057
406 1 8 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.330 -2.404 26057
407 1 8 . 1 1 8 8 ARG H H 8 7.806 7.806 8.471 -0.665 26057
408 1 8 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.217 -0.426 26057
409 1 8 . 1 1 9 9 LYS H H 9 7.826 7.826 8.203 -0.377 26057
410 1 8 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.257 -0.486 26057
411 1 8 . 1 1 10 10 ILE CA C 10 62.700 62.700 60.260 2.440 26057
412 1 8 . 1 1 10 10 ILE CB C 10 35.645 35.645 36.773 -1.129 26057
413 1 8 . 1 1 10 10 ILE H H 10 8.099 8.099 7.758 0.341 26057
414 1 8 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.122 0.021 26057
415 1 8 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.167 -2.102 26057
416 1 8 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.375 -1.965 26057
417 1 8 . 1 1 11 11 ALA H H 11 8.193 8.193 7.838 0.355 26057
418 1 8 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.138 0.020 26057
419 1 8 . 1 1 12 12 LEU CB C 12 40.053 40.053 42.294 -2.241 26057
420 1 8 . 1 1 12 12 LEU H H 12 7.868 7.868 8.016 -0.148 26057
421 1 8 . 1 1 13 13 ILE HA H 13 3.893 3.893 3.997 -0.104 26057
422 1 8 . 1 1 13 13 ILE CA C 13 62.210 62.210 60.983 1.226 26057
423 1 8 . 1 1 13 13 ILE CB C 13 36.118 36.118 36.036 0.082 26057
424 1 8 . 1 1 13 13 ILE H H 13 7.939 7.939 8.273 -0.334 26057
425 1 8 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.719 0.810 26057
426 1 8 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.312 -3.778 26057
427 1 8 . 1 1 14 14 HIS CB C 14 26.655 26.655 29.955 -3.300 26057
428 1 8 . 1 1 14 14 HIS H H 14 8.306 8.306 7.494 0.812 26057
429 1 8 . 1 1 15 15 LYS HA H 15 4.067 4.067 3.772 0.295 26057
430 1 8 . 1 1 15 15 LYS CA C 15 58.353 58.353 58.123 0.230 26057
431 1 8 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.914 -4.057 26057
432 1 8 . 1 1 15 15 LYS H H 15 8.046 8.046 7.581 0.465 26057
433 1 8 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.005 0.078 26057
434 1 8 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.235 -2.201 26057
435 1 8 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.072 -2.185 26057
436 1 8 . 1 1 16 16 LYS H H 16 7.896 7.896 7.559 0.337 26057
437 1 8 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.812 -0.176 26057
438 1 8 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.042 0.384 26057
439 1 8 . 1 1 17 17 TYR CB C 17 37.428 37.428 38.712 -1.284 26057
440 1 8 . 1 1 17 17 TYR H H 17 7.926 7.926 6.900 1.026 26057
441 1 9 . 1 1 2 2 GLY CA C 2 43.423 43.423 44.289 -0.866 26057
442 1 9 . 1 1 2 2 GLY H H 2 8.193 8.193 8.095 0.098 26057
443 1 9 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.711 -0.414 26057
444 1 9 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.622 -0.073 26057
445 1 9 . 1 1 3 3 LEU CB C 3 40.522 40.522 42.377 -1.855 26057
446 1 9 . 1 1 3 3 LEU H H 3 8.165 8.165 8.174 -0.009 26057
447 1 9 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.345 -0.239 26057
448 1 9 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.086 1.155 26057
449 1 9 . 1 1 4 4 ARG CB C 4 30.345 30.345 29.241 1.104 26057
450 1 9 . 1 1 4 4 ARG H H 4 8.213 8.213 8.501 -0.288 26057
451 1 9 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.449 -2.208 26057
452 1 9 . 1 1 5 5 GLY H H 5 8.290 8.290 8.325 -0.035 26057
453 1 9 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.741 -0.591 26057
454 1 9 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.058 1.590 26057
455 1 9 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.916 -1.849 26057
456 1 9 . 1 1 6 6 LEU H H 6 8.087 8.087 8.042 0.045 26057
457 1 9 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.613 -0.234 26057
458 1 9 . 1 1 7 7 GLY H H 7 8.512 8.512 8.193 0.319 26057
459 1 9 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.828 0.323 26057
460 1 9 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.758 -2.198 26057
461 1 9 . 1 1 8 8 ARG CB C 8 27.926 27.926 30.151 -2.225 26057
462 1 9 . 1 1 8 8 ARG H H 8 7.806 7.806 8.359 -0.553 26057
463 1 9 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.196 -0.405 26057
464 1 9 . 1 1 9 9 LYS H H 9 7.826 7.826 8.156 -0.330 26057
465 1 9 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.412 -0.641 26057
466 1 9 . 1 1 10 10 ILE CA C 10 62.700 62.700 58.791 3.909 26057
467 1 9 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.195 0.450 26057
468 1 9 . 1 1 10 10 ILE H H 10 8.099 8.099 7.830 0.269 26057
469 1 9 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.158 -0.015 26057
470 1 9 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.306 -2.241 26057
471 1 9 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.347 -1.937 26057
472 1 9 . 1 1 11 11 ALA H H 11 8.193 8.193 7.799 0.394 26057
473 1 9 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.076 0.082 26057
474 1 9 . 1 1 12 12 LEU CB C 12 40.053 40.053 42.319 -2.266 26057
475 1 9 . 1 1 12 12 LEU H H 12 7.868 7.868 7.975 -0.107 26057
476 1 9 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.024 -0.131 26057
477 1 9 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.559 0.651 26057
478 1 9 . 1 1 13 13 ILE CB C 13 36.118 36.118 36.751 -0.633 26057
479 1 9 . 1 1 13 13 ILE H H 13 7.939 7.939 7.946 -0.007 26057
480 1 9 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.437 1.092 26057
481 1 9 . 1 1 14 14 HIS CA C 14 55.534 55.534 60.054 -4.520 26057
482 1 9 . 1 1 14 14 HIS CB C 14 26.655 26.655 29.960 -3.305 26057
483 1 9 . 1 1 14 14 HIS H H 14 8.306 8.306 8.442 -0.136 26057
484 1 9 . 1 1 15 15 LYS HA H 15 4.067 4.067 3.965 0.102 26057
485 1 9 . 1 1 15 15 LYS CA C 15 58.353 58.353 57.741 0.612 26057
486 1 9 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.747 -3.890 26057
487 1 9 . 1 1 15 15 LYS H H 15 8.046 8.046 7.481 0.565 26057
488 1 9 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.032 0.051 26057
489 1 9 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.038 -2.004 26057
490 1 9 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.320 -2.433 26057
491 1 9 . 1 1 16 16 LYS H H 16 7.896 7.896 7.419 0.477 26057
492 1 9 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.922 -0.286 26057
493 1 9 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.947 -0.521 26057
494 1 9 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.721 -2.293 26057
495 1 9 . 1 1 17 17 TYR H H 17 7.926 7.926 7.203 0.723 26057
496 1 10 . 1 1 2 2 GLY CA C 2 43.423 43.423 45.097 -1.674 26057
497 1 10 . 1 1 2 2 GLY H H 2 8.193 8.193 8.226 -0.033 26057
498 1 10 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.651 -0.354 26057
499 1 10 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.588 -0.039 26057
500 1 10 . 1 1 3 3 LEU CB C 3 40.522 40.522 43.103 -2.581 26057
501 1 10 . 1 1 3 3 LEU H H 3 8.165 8.165 7.996 0.169 26057
502 1 10 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.258 -0.152 26057
503 1 10 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.972 0.269 26057
504 1 10 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.303 0.042 26057
505 1 10 . 1 1 4 4 ARG H H 4 8.213 8.213 8.961 -0.748 26057
506 1 10 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.715 -2.474 26057
507 1 10 . 1 1 5 5 GLY H H 5 8.290 8.290 8.446 -0.156 26057
508 1 10 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.440 -0.290 26057
509 1 10 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.385 1.263 26057
510 1 10 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.495 -1.428 26057
511 1 10 . 1 1 6 6 LEU H H 6 8.087 8.087 8.286 -0.199 26057
512 1 10 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.365 0.014 26057
513 1 10 . 1 1 7 7 GLY H H 7 8.512 8.512 8.038 0.474 26057
514 1 10 . 1 1 8 8 ARG HA H 8 4.151 4.151 4.025 0.126 26057
515 1 10 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.355 -1.795 26057
516 1 10 . 1 1 8 8 ARG CB C 8 27.926 27.926 29.837 -1.911 26057
517 1 10 . 1 1 8 8 ARG H H 8 7.806 7.806 8.323 -0.517 26057
518 1 10 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.228 -0.437 26057
519 1 10 . 1 1 9 9 LYS H H 9 7.826 7.826 8.415 -0.589 26057
520 1 10 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.411 -0.640 26057
521 1 10 . 1 1 10 10 ILE CA C 10 62.700 62.700 59.848 2.852 26057
522 1 10 . 1 1 10 10 ILE CB C 10 35.645 35.645 36.271 -0.626 26057
523 1 10 . 1 1 10 10 ILE H H 10 8.099 8.099 7.719 0.380 26057
524 1 10 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.178 -0.035 26057
525 1 10 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.274 -2.209 26057
526 1 10 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.237 -1.827 26057
527 1 10 . 1 1 11 11 ALA H H 11 8.193 8.193 8.015 0.178 26057
528 1 10 . 1 1 12 12 LEU HA H 12 4.158 4.158 3.985 0.173 26057
529 1 10 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.754 -1.701 26057
530 1 10 . 1 1 12 12 LEU H H 12 7.868 7.868 8.064 -0.196 26057
531 1 10 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.093 -0.200 26057
532 1 10 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.550 0.660 26057
533 1 10 . 1 1 13 13 ILE CB C 13 36.118 36.118 37.077 -0.959 26057
534 1 10 . 1 1 13 13 ILE H H 13 7.939 7.939 8.250 -0.311 26057
535 1 10 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.434 1.095 26057
536 1 10 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.378 -3.844 26057
537 1 10 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.024 -3.369 26057
538 1 10 . 1 1 14 14 HIS H H 14 8.306 8.306 8.338 -0.032 26057
539 1 10 . 1 1 15 15 LYS HA H 15 4.067 4.067 4.131 -0.064 26057
540 1 10 . 1 1 15 15 LYS CA C 15 58.353 58.353 57.994 0.359 26057
541 1 10 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.978 -4.121 26057
542 1 10 . 1 1 15 15 LYS H H 15 8.046 8.046 8.152 -0.106 26057
543 1 10 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.136 -0.053 26057
544 1 10 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.123 -2.089 26057
545 1 10 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.501 -2.614 26057
546 1 10 . 1 1 16 16 LYS H H 16 7.896 7.896 7.602 0.294 26057
547 1 10 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.945 -0.309 26057
548 1 10 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.611 -0.185 26057
549 1 10 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.749 -2.321 26057
550 1 10 . 1 1 17 17 TYR H H 17 7.926 7.926 7.440 0.486 26057
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 26057
2 1 1 "Average Difference" HA 19 0.324 0.046 0.329 26057
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26057
4 1 1 "Average Difference" CA 14 2.066 0.536 2.071 26057
5 1 1 "Average Difference" CB 12 2.226 1.807 1.358 26057
6 1 1 "Average Difference" HN 16 0.420 -0.011 0.433 26057
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 26057
8 1 2 "Average Difference" HA 19 0.398 -0.060 0.404 26057
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26057
10 1 2 "Average Difference" CA 14 2.056 0.689 2.010 26057
11 1 2 "Average Difference" CB 12 2.313 1.935 1.324 26057
12 1 2 "Average Difference" HN 16 0.338 -0.003 0.349 26057
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 26057
14 1 3 "Average Difference" HA 19 0.392 -0.033 0.402 26057
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26057
16 1 3 "Average Difference" CA 14 1.971 0.563 1.960 26057
17 1 3 "Average Difference" CB 12 2.257 1.898 1.275 26057
18 1 3 "Average Difference" HN 16 0.311 0.009 0.321 26057
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 26057
20 1 4 "Average Difference" HA 19 0.376 -0.065 0.381 26057
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26057
22 1 4 "Average Difference" CA 14 2.165 0.732 2.115 26057
23 1 4 "Average Difference" CB 12 2.113 1.685 1.331 26057
24 1 4 "Average Difference" HN 16 0.289 0.060 0.292 26057
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 26057
26 1 5 "Average Difference" HA 19 0.387 -0.052 0.394 26057
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26057
28 1 5 "Average Difference" CA 14 1.979 0.673 1.932 26057
29 1 5 "Average Difference" CB 12 2.253 1.885 1.288 26057
30 1 5 "Average Difference" HN 16 0.385 -0.004 0.397 26057
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 26057
32 1 6 "Average Difference" HA 19 0.390 0.018 0.400 26057
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26057
34 1 6 "Average Difference" CA 14 1.999 0.562 1.991 26057
35 1 6 "Average Difference" CB 12 2.261 1.903 1.276 26057
36 1 6 "Average Difference" HN 16 0.335 0.028 0.345 26057
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 26057
38 1 7 "Average Difference" HA 19 0.391 -0.084 0.392 26057
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26057
40 1 7 "Average Difference" CA 14 1.832 0.774 1.723 26057
41 1 7 "Average Difference" CB 12 2.173 1.742 1.357 26057
42 1 7 "Average Difference" HN 16 0.327 -0.015 0.337 26057
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 26057
44 1 8 "Average Difference" HA 19 0.376 -0.026 0.385 26057
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26057
46 1 8 "Average Difference" CA 14 1.803 0.531 1.788 26057
47 1 8 "Average Difference" CB 12 2.244 1.962 1.139 26057
48 1 8 "Average Difference" HN 16 0.460 -0.083 0.467 26057
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 26057
50 1 9 "Average Difference" HA 19 0.401 -0.013 0.412 26057
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26057
52 1 9 "Average Difference" CA 14 2.074 0.496 2.089 26057
53 1 9 "Average Difference" CB 12 2.231 1.761 1.431 26057
54 1 9 "Average Difference" HN 16 0.348 -0.089 0.348 26057
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 26057
56 1 10 "Average Difference" HA 19 0.383 0.000 0.393 26057
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26057
58 1 10 "Average Difference" CA 14 1.824 0.635 1.774 26057
59 1 10 "Average Difference" CB 12 2.245 1.951 1.158 26057
60 1 10 "Average Difference" HN 16 0.366 0.057 0.373 26057
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 26057
_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 GLY CA C 2 43.423 43.423 44.699 -1.276 26057
2 1 . 1 1 2 2 GLY H H 2 8.193 8.193 8.190 0.003 26057
3 1 . 1 1 3 3 LEU HA H 3 4.297 4.297 4.673 -0.376 26057
4 1 . 1 1 3 3 LEU CA C 3 54.549 54.549 54.480 0.069 26057
5 1 . 1 1 3 3 LEU CB C 3 40.522 40.522 42.942 -2.420 26057
6 1 . 1 1 3 3 LEU H H 3 8.165 8.165 8.119 0.046 26057
7 1 . 1 1 4 4 ARG HA H 4 4.106 4.106 4.310 -0.204 26057
8 1 . 1 1 4 4 ARG CA C 4 56.241 56.241 55.735 0.506 26057
9 1 . 1 1 4 4 ARG CB C 4 30.345 30.345 30.046 0.299 26057
10 1 . 1 1 4 4 ARG H H 4 8.213 8.213 8.706 -0.493 26057
11 1 . 1 1 5 5 GLY CA C 5 44.241 44.241 46.647 -2.406 26057
12 1 . 1 1 5 5 GLY H H 5 8.290 8.290 8.373 -0.083 26057
13 1 . 1 1 6 6 LEU HA H 6 4.150 4.150 4.584 -0.434 26057
14 1 . 1 1 6 6 LEU CA C 6 55.648 55.648 54.306 1.342 26057
15 1 . 1 1 6 6 LEU CB C 6 40.067 40.067 41.491 -1.424 26057
16 1 . 1 1 6 6 LEU H H 6 8.087 8.087 8.278 -0.191 26057
17 1 . 1 1 7 7 GLY CA C 7 45.379 45.379 45.604 -0.225 26057
18 1 . 1 1 7 7 GLY H H 7 8.512 8.512 8.157 0.355 26057
19 1 . 1 1 8 8 ARG HA H 8 4.151 4.151 3.857 0.294 26057
20 1 . 1 1 8 8 ARG CA C 8 56.560 56.560 58.793 -2.233 26057
21 1 . 1 1 8 8 ARG CB C 8 27.926 27.926 29.980 -2.054 26057
22 1 . 1 1 8 8 ARG H H 8 7.806 7.806 8.306 -0.499 26057
23 1 . 1 1 9 9 LYS HA H 9 3.791 3.791 4.231 -0.440 26057
24 1 . 1 1 9 9 LYS H H 9 7.826 7.826 8.185 -0.359 26057
25 1 . 1 1 10 10 ILE HA H 10 3.771 3.771 4.296 -0.525 26057
26 1 . 1 1 10 10 ILE CA C 10 62.700 62.700 59.531 3.169 26057
27 1 . 1 1 10 10 ILE CB C 10 35.645 35.645 35.691 -0.046 26057
28 1 . 1 1 10 10 ILE H H 10 8.099 8.099 7.890 0.210 26057
29 1 . 1 1 11 11 ALA HA H 11 4.143 4.143 4.188 -0.045 26057
30 1 . 1 1 11 11 ALA CA C 11 53.065 53.065 55.273 -2.208 26057
31 1 . 1 1 11 11 ALA CB C 11 16.410 16.410 18.426 -2.016 26057
32 1 . 1 1 11 11 ALA H H 11 8.193 8.193 7.877 0.316 26057
33 1 . 1 1 12 12 LEU HA H 12 4.158 4.158 4.041 0.117 26057
34 1 . 1 1 12 12 LEU CB C 12 40.053 40.053 41.852 -1.799 26057
35 1 . 1 1 12 12 LEU H H 12 7.868 7.868 8.037 -0.169 26057
36 1 . 1 1 13 13 ILE HA H 13 3.893 3.893 4.086 -0.193 26057
37 1 . 1 1 13 13 ILE CA C 13 62.210 62.210 61.386 0.824 26057
38 1 . 1 1 13 13 ILE CB C 13 36.118 36.118 36.853 -0.735 26057
39 1 . 1 1 13 13 ILE H H 13 7.939 7.939 8.155 -0.216 26057
40 1 . 1 1 14 14 HIS HA H 14 4.529 4.529 3.576 0.953 26057
41 1 . 1 1 14 14 HIS CA C 14 55.534 55.534 59.767 -4.233 26057
42 1 . 1 1 14 14 HIS CB C 14 26.655 26.655 30.063 -3.408 26057
43 1 . 1 1 14 14 HIS H H 14 8.306 8.306 8.229 0.077 26057
44 1 . 1 1 15 15 LYS HA H 15 4.067 4.067 4.017 0.050 26057
45 1 . 1 1 15 15 LYS CA C 15 58.353 58.353 57.830 0.523 26057
46 1 . 1 1 15 15 LYS CB C 15 27.857 27.857 31.819 -3.962 26057
47 1 . 1 1 15 15 LYS H H 15 8.046 8.046 7.834 0.212 26057
48 1 . 1 1 16 16 LYS HA H 16 4.083 4.083 4.102 -0.019 26057
49 1 . 1 1 16 16 LYS CA C 16 56.034 56.034 58.143 -2.109 26057
50 1 . 1 1 16 16 LYS CB C 16 30.887 30.887 33.269 -2.382 26057
51 1 . 1 1 16 16 LYS H H 16 7.896 7.896 7.626 0.270 26057
52 1 . 1 1 17 17 TYR HA H 17 4.636 4.636 4.937 -0.301 26057
53 1 . 1 1 17 17 TYR CA C 17 56.426 56.426 56.835 -0.409 26057
54 1 . 1 1 17 17 TYR CB C 17 37.428 37.428 39.717 -2.289 26057
55 1 . 1 1 17 17 TYR H H 17 7.926 7.926 7.323 0.603 26057
stop_
save_