data_25332
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25332
_Entry.PDB_ID 2MWK
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 25332
_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 GLN HA H 2 4.930 4.930 4.653 0.277 25332
2 1 1 . 1 1 2 2 GLN H H 2 9.375 9.375 8.687 0.688 25332
3 1 1 . 1 1 3 3 SER HA H 3 4.472 4.472 4.488 -0.016 25332
4 1 1 . 1 1 3 3 SER H H 3 9.226 9.226 8.657 0.569 25332
5 1 1 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.145 -0.190 25332
6 1 1 . 1 1 4 4 HIS H H 4 8.945 8.945 8.481 0.464 25332
7 1 1 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.122 -0.099 25332
8 1 1 . 1 1 5 5 TYR H H 5 9.455 9.455 9.212 0.243 25332
9 1 1 . 1 1 6 6 GLY H H 6 8.762 8.762 7.918 0.844 25332
10 1 1 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.444 -0.139 25332
11 1 1 . 1 1 7 7 GLN H H 7 8.635 8.635 8.501 0.134 25332
12 1 1 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.293 -0.039 25332
13 1 1 . 1 1 8 8 CYS H H 8 8.014 8.014 8.291 -0.277 25332
14 1 1 . 1 1 9 9 GLY H H 9 6.673 6.673 7.348 -0.675 25332
15 1 1 . 1 1 10 10 GLY H H 10 8.677 8.677 8.026 0.651 25332
16 1 1 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.912 -0.140 25332
17 1 1 . 1 1 11 11 ILE H H 11 8.319 8.319 8.160 0.159 25332
18 1 1 . 1 1 12 12 GLY H H 12 9.094 9.094 8.355 0.739 25332
19 1 1 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.697 -0.130 25332
20 1 1 . 1 1 13 13 TYR H H 13 7.953 7.953 7.865 0.088 25332
21 1 1 . 1 1 14 14 SER HA H 14 4.677 4.677 4.445 0.232 25332
22 1 1 . 1 1 14 14 SER H H 14 8.397 8.397 7.769 0.628 25332
23 1 1 . 1 1 15 15 GLY H H 15 5.226 5.226 6.861 -1.635 25332
24 1 1 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.361 0.094 25332
25 1 1 . 1 1 17 17 THR HA H 17 4.683 4.683 4.717 -0.034 25332
26 1 1 . 1 1 17 17 THR H H 17 8.243 8.243 8.332 -0.089 25332
27 1 1 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.188 -0.119 25332
28 1 1 . 1 1 18 18 VAL H H 18 7.449 7.449 7.306 0.143 25332
29 1 1 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.666 -0.261 25332
30 1 1 . 1 1 19 19 CYS H H 19 8.732 8.732 8.711 0.021 25332
31 1 1 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.083 0.284 25332
32 1 1 . 1 1 20 20 ALA H H 20 7.502 7.502 8.303 -0.801 25332
33 1 1 . 1 1 21 21 SER HA H 21 4.182 4.182 4.215 -0.033 25332
34 1 1 . 1 1 21 21 SER H H 21 8.718 8.718 8.687 0.031 25332
35 1 1 . 1 1 22 22 GLY H H 22 8.904 8.904 8.333 0.571 25332
36 1 1 . 1 1 23 23 THR HA H 23 4.669 4.669 4.455 0.214 25332
37 1 1 . 1 1 23 23 THR H H 23 8.194 8.194 7.566 0.628 25332
38 1 1 . 1 1 24 24 THR HA H 24 4.507 4.507 4.563 -0.056 25332
39 1 1 . 1 1 24 24 THR H H 24 9.378 9.378 8.492 0.886 25332
40 1 1 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.648 -0.036 25332
41 1 1 . 1 1 25 25 CYS H H 25 8.874 8.874 8.909 -0.035 25332
42 1 1 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.679 -0.095 25332
43 1 1 . 1 1 26 26 GLN H H 26 9.023 9.023 9.136 -0.113 25332
44 1 1 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.973 0.108 25332
45 1 1 . 1 1 27 27 VAL H H 27 8.679 8.679 8.562 0.117 25332
46 1 1 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.553 0.176 25332
47 1 1 . 1 1 28 28 LEU H H 28 8.651 8.651 8.437 0.214 25332
48 1 1 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.036 -0.117 25332
49 1 1 . 1 1 29 29 ASN H H 29 8.627 8.627 7.837 0.790 25332
50 1 1 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.499 -0.292 25332
51 1 1 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.654 -0.265 25332
52 1 1 . 1 1 31 31 TYR H H 31 8.704 8.704 7.671 1.033 25332
53 1 1 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.783 -0.183 25332
54 1 1 . 1 1 32 32 TYR H H 32 7.920 7.920 7.937 -0.017 25332
55 1 1 . 1 1 33 33 SER HA H 33 5.198 5.198 4.800 0.398 25332
56 1 1 . 1 1 33 33 SER H H 33 6.664 6.664 8.834 -2.170 25332
57 1 1 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.889 -0.104 25332
58 1 1 . 1 1 34 34 GLN H H 34 9.106 9.106 8.786 0.320 25332
59 1 1 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.256 -0.168 25332
60 1 1 . 1 1 35 35 CYS H H 35 8.483 8.483 8.745 -0.262 25332
61 1 2 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.426 0.504 25332
62 1 2 . 1 1 2 2 GLN H H 2 9.375 9.375 8.757 0.618 25332
63 1 2 . 1 1 3 3 SER HA H 3 4.472 4.472 4.512 -0.040 25332
64 1 2 . 1 1 3 3 SER H H 3 9.226 9.226 7.787 1.439 25332
65 1 2 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.548 -0.593 25332
66 1 2 . 1 1 4 4 HIS H H 4 8.945 8.945 8.623 0.322 25332
67 1 2 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.202 -0.179 25332
68 1 2 . 1 1 5 5 TYR H H 5 9.455 9.455 8.967 0.488 25332
69 1 2 . 1 1 6 6 GLY H H 6 8.762 8.762 7.602 1.160 25332
70 1 2 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.756 -0.451 25332
71 1 2 . 1 1 7 7 GLN H H 7 8.635 8.635 8.328 0.307 25332
72 1 2 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.400 -0.146 25332
73 1 2 . 1 1 8 8 CYS H H 8 8.014 8.014 8.642 -0.628 25332
74 1 2 . 1 1 9 9 GLY H H 9 6.673 6.673 7.329 -0.656 25332
75 1 2 . 1 1 10 10 GLY H H 10 8.677 8.677 7.906 0.771 25332
76 1 2 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.963 -0.191 25332
77 1 2 . 1 1 11 11 ILE H H 11 8.319 8.319 8.550 -0.231 25332
78 1 2 . 1 1 12 12 GLY H H 12 9.094 9.094 8.424 0.670 25332
79 1 2 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.712 -0.145 25332
80 1 2 . 1 1 13 13 TYR H H 13 7.953 7.953 7.549 0.404 25332
81 1 2 . 1 1 14 14 SER HA H 14 4.677 4.677 4.587 0.090 25332
82 1 2 . 1 1 14 14 SER H H 14 8.397 8.397 7.875 0.522 25332
83 1 2 . 1 1 15 15 GLY H H 15 5.226 5.226 6.757 -1.531 25332
84 1 2 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.333 0.122 25332
85 1 2 . 1 1 17 17 THR HA H 17 4.683 4.683 4.665 0.018 25332
86 1 2 . 1 1 17 17 THR H H 17 8.243 8.243 8.402 -0.159 25332
87 1 2 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.213 -0.144 25332
88 1 2 . 1 1 18 18 VAL H H 18 7.449 7.449 7.457 -0.008 25332
89 1 2 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.585 -0.180 25332
90 1 2 . 1 1 19 19 CYS H H 19 8.732 8.732 8.749 -0.017 25332
91 1 2 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.078 0.289 25332
92 1 2 . 1 1 20 20 ALA H H 20 7.502 7.502 8.540 -1.038 25332
93 1 2 . 1 1 21 21 SER HA H 21 4.182 4.182 4.236 -0.054 25332
94 1 2 . 1 1 21 21 SER H H 21 8.718 8.718 8.683 0.035 25332
95 1 2 . 1 1 22 22 GLY H H 22 8.904 8.904 7.984 0.920 25332
96 1 2 . 1 1 23 23 THR HA H 23 4.669 4.669 4.497 0.172 25332
97 1 2 . 1 1 23 23 THR H H 23 8.194 8.194 7.711 0.483 25332
98 1 2 . 1 1 24 24 THR HA H 24 4.507 4.507 4.620 -0.113 25332
99 1 2 . 1 1 24 24 THR H H 24 9.378 9.378 8.725 0.653 25332
100 1 2 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.867 -0.255 25332
101 1 2 . 1 1 25 25 CYS H H 25 8.874 8.874 8.722 0.152 25332
102 1 2 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.590 -0.006 25332
103 1 2 . 1 1 26 26 GLN H H 26 9.023 9.023 9.087 -0.064 25332
104 1 2 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.831 0.250 25332
105 1 2 . 1 1 27 27 VAL H H 27 8.679 8.679 8.618 0.061 25332
106 1 2 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.560 0.169 25332
107 1 2 . 1 1 28 28 LEU H H 28 8.651 8.651 8.160 0.491 25332
108 1 2 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.008 -0.089 25332
109 1 2 . 1 1 29 29 ASN H H 29 8.627 8.627 7.664 0.963 25332
110 1 2 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.558 -0.351 25332
111 1 2 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.696 -0.307 25332
112 1 2 . 1 1 31 31 TYR H H 31 8.704 8.704 7.697 1.007 25332
113 1 2 . 1 1 32 32 TYR HA H 32 4.600 4.600 5.223 -0.623 25332
114 1 2 . 1 1 32 32 TYR H H 32 7.920 7.920 7.779 0.141 25332
115 1 2 . 1 1 33 33 SER HA H 33 5.198 5.198 4.750 0.448 25332
116 1 2 . 1 1 33 33 SER H H 33 6.664 6.664 9.364 -2.700 25332
117 1 2 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.680 0.105 25332
118 1 2 . 1 1 34 34 GLN H H 34 9.106 9.106 8.277 0.829 25332
119 1 2 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.417 -0.329 25332
120 1 2 . 1 1 35 35 CYS H H 35 8.483 8.483 8.509 -0.026 25332
121 1 3 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.695 0.235 25332
122 1 3 . 1 1 2 2 GLN H H 2 9.375 9.375 8.577 0.798 25332
123 1 3 . 1 1 3 3 SER HA H 3 4.472 4.472 4.468 0.004 25332
124 1 3 . 1 1 3 3 SER H H 3 9.226 9.226 8.634 0.592 25332
125 1 3 . 1 1 4 4 HIS HA H 4 3.955 3.955 3.987 -0.032 25332
126 1 3 . 1 1 4 4 HIS H H 4 8.945 8.945 8.530 0.415 25332
127 1 3 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.238 -0.215 25332
128 1 3 . 1 1 5 5 TYR H H 5 9.455 9.455 9.236 0.219 25332
129 1 3 . 1 1 6 6 GLY H H 6 8.762 8.762 7.917 0.845 25332
130 1 3 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.879 -0.574 25332
131 1 3 . 1 1 7 7 GLN H H 7 8.635 8.635 8.481 0.154 25332
132 1 3 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.409 -0.155 25332
133 1 3 . 1 1 8 8 CYS H H 8 8.014 8.014 8.233 -0.219 25332
134 1 3 . 1 1 9 9 GLY H H 9 6.673 6.673 7.306 -0.633 25332
135 1 3 . 1 1 10 10 GLY H H 10 8.677 8.677 8.213 0.464 25332
136 1 3 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.964 -0.192 25332
137 1 3 . 1 1 11 11 ILE H H 11 8.319 8.319 8.210 0.109 25332
138 1 3 . 1 1 12 12 GLY H H 12 9.094 9.094 8.331 0.763 25332
139 1 3 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.547 0.020 25332
140 1 3 . 1 1 13 13 TYR H H 13 7.953 7.953 7.521 0.432 25332
141 1 3 . 1 1 14 14 SER HA H 14 4.677 4.677 4.486 0.191 25332
142 1 3 . 1 1 14 14 SER H H 14 8.397 8.397 7.953 0.444 25332
143 1 3 . 1 1 15 15 GLY H H 15 5.226 5.226 6.427 -1.201 25332
144 1 3 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.342 0.113 25332
145 1 3 . 1 1 17 17 THR HA H 17 4.683 4.683 4.723 -0.040 25332
146 1 3 . 1 1 17 17 THR H H 17 8.243 8.243 8.378 -0.135 25332
147 1 3 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.217 -0.148 25332
148 1 3 . 1 1 18 18 VAL H H 18 7.449 7.449 7.416 0.033 25332
149 1 3 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.555 -0.150 25332
150 1 3 . 1 1 19 19 CYS H H 19 8.732 8.732 8.826 -0.094 25332
151 1 3 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.064 0.303 25332
152 1 3 . 1 1 20 20 ALA H H 20 7.502 7.502 8.373 -0.871 25332
153 1 3 . 1 1 21 21 SER HA H 21 4.182 4.182 4.193 -0.011 25332
154 1 3 . 1 1 21 21 SER H H 21 8.718 8.718 8.668 0.050 25332
155 1 3 . 1 1 22 22 GLY H H 22 8.904 8.904 8.137 0.767 25332
156 1 3 . 1 1 23 23 THR HA H 23 4.669 4.669 4.594 0.075 25332
157 1 3 . 1 1 23 23 THR H H 23 8.194 8.194 7.611 0.583 25332
158 1 3 . 1 1 24 24 THR HA H 24 4.507 4.507 4.614 -0.107 25332
159 1 3 . 1 1 24 24 THR H H 24 9.378 9.378 8.266 1.112 25332
160 1 3 . 1 1 25 25 CYS HA H 25 4.612 4.612 5.047 -0.435 25332
161 1 3 . 1 1 25 25 CYS H H 25 8.874 8.874 8.951 -0.077 25332
162 1 3 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.608 -0.024 25332
163 1 3 . 1 1 26 26 GLN H H 26 9.023 9.023 9.020 0.003 25332
164 1 3 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.963 0.118 25332
165 1 3 . 1 1 27 27 VAL H H 27 8.679 8.679 8.496 0.183 25332
166 1 3 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.553 0.176 25332
167 1 3 . 1 1 28 28 LEU H H 28 8.651 8.651 8.306 0.345 25332
168 1 3 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.007 -0.088 25332
169 1 3 . 1 1 29 29 ASN H H 29 8.627 8.627 7.692 0.935 25332
170 1 3 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.504 -0.297 25332
171 1 3 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.655 -0.266 25332
172 1 3 . 1 1 31 31 TYR H H 31 8.704 8.704 7.701 1.003 25332
173 1 3 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.830 -0.230 25332
174 1 3 . 1 1 32 32 TYR H H 32 7.920 7.920 7.858 0.062 25332
175 1 3 . 1 1 33 33 SER HA H 33 5.198 5.198 4.760 0.438 25332
176 1 3 . 1 1 33 33 SER H H 33 6.664 6.664 8.914 -2.250 25332
177 1 3 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.917 -0.132 25332
178 1 3 . 1 1 34 34 GLN H H 34 9.106 9.106 8.232 0.874 25332
179 1 3 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.287 -0.199 25332
180 1 3 . 1 1 35 35 CYS H H 35 8.483 8.483 8.770 -0.287 25332
181 1 4 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.703 0.227 25332
182 1 4 . 1 1 2 2 GLN H H 2 9.375 9.375 8.649 0.726 25332
183 1 4 . 1 1 3 3 SER HA H 3 4.472 4.472 4.421 0.051 25332
184 1 4 . 1 1 3 3 SER H H 3 9.226 9.226 8.677 0.549 25332
185 1 4 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.121 -0.166 25332
186 1 4 . 1 1 4 4 HIS H H 4 8.945 8.945 8.500 0.445 25332
187 1 4 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.163 -0.140 25332
188 1 4 . 1 1 5 5 TYR H H 5 9.455 9.455 9.302 0.153 25332
189 1 4 . 1 1 6 6 GLY H H 6 8.762 8.762 7.982 0.780 25332
190 1 4 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.630 -0.325 25332
191 1 4 . 1 1 7 7 GLN H H 7 8.635 8.635 8.288 0.347 25332
192 1 4 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.224 0.030 25332
193 1 4 . 1 1 8 8 CYS H H 8 8.014 8.014 8.648 -0.634 25332
194 1 4 . 1 1 9 9 GLY H H 9 6.673 6.673 7.480 -0.807 25332
195 1 4 . 1 1 10 10 GLY H H 10 8.677 8.677 8.157 0.520 25332
196 1 4 . 1 1 11 11 ILE HA H 11 3.772 3.772 4.010 -0.238 25332
197 1 4 . 1 1 11 11 ILE H H 11 8.319 8.319 7.639 0.680 25332
198 1 4 . 1 1 12 12 GLY H H 12 9.094 9.094 8.035 1.059 25332
199 1 4 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.635 -0.068 25332
200 1 4 . 1 1 13 13 TYR H H 13 7.953 7.953 8.039 -0.086 25332
201 1 4 . 1 1 14 14 SER HA H 14 4.677 4.677 4.678 -0.001 25332
202 1 4 . 1 1 14 14 SER H H 14 8.397 8.397 7.963 0.434 25332
203 1 4 . 1 1 15 15 GLY H H 15 5.226 5.226 7.531 -2.305 25332
204 1 4 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.426 0.029 25332
205 1 4 . 1 1 17 17 THR HA H 17 4.683 4.683 4.612 0.071 25332
206 1 4 . 1 1 17 17 THR H H 17 8.243 8.243 8.361 -0.118 25332
207 1 4 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.213 -0.144 25332
208 1 4 . 1 1 18 18 VAL H H 18 7.449 7.449 7.496 -0.047 25332
209 1 4 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.452 -0.047 25332
210 1 4 . 1 1 19 19 CYS H H 19 8.732 8.732 8.960 -0.228 25332
211 1 4 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.079 0.288 25332
212 1 4 . 1 1 20 20 ALA H H 20 7.502 7.502 8.271 -0.769 25332
213 1 4 . 1 1 21 21 SER HA H 21 4.182 4.182 4.226 -0.044 25332
214 1 4 . 1 1 21 21 SER H H 21 8.718 8.718 8.673 0.045 25332
215 1 4 . 1 1 22 22 GLY H H 22 8.904 8.904 8.212 0.692 25332
216 1 4 . 1 1 23 23 THR HA H 23 4.669 4.669 4.553 0.116 25332
217 1 4 . 1 1 23 23 THR H H 23 8.194 8.194 7.465 0.729 25332
218 1 4 . 1 1 24 24 THR HA H 24 4.507 4.507 4.632 -0.125 25332
219 1 4 . 1 1 24 24 THR H H 24 9.378 9.378 8.439 0.939 25332
220 1 4 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.974 -0.362 25332
221 1 4 . 1 1 25 25 CYS H H 25 8.874 8.874 8.937 -0.063 25332
222 1 4 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.621 -0.037 25332
223 1 4 . 1 1 26 26 GLN H H 26 9.023 9.023 9.130 -0.107 25332
224 1 4 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.970 0.111 25332
225 1 4 . 1 1 27 27 VAL H H 27 8.679 8.679 8.460 0.219 25332
226 1 4 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.528 0.201 25332
227 1 4 . 1 1 28 28 LEU H H 28 8.651 8.651 8.461 0.190 25332
228 1 4 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.157 -0.238 25332
229 1 4 . 1 1 29 29 ASN H H 29 8.627 8.627 7.935 0.692 25332
230 1 4 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.539 -0.332 25332
231 1 4 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.693 -0.304 25332
232 1 4 . 1 1 31 31 TYR H H 31 8.704 8.704 8.849 -0.145 25332
233 1 4 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.618 -0.018 25332
234 1 4 . 1 1 32 32 TYR H H 32 7.920 7.920 7.856 0.064 25332
235 1 4 . 1 1 33 33 SER HA H 33 5.198 5.198 4.643 0.555 25332
236 1 4 . 1 1 33 33 SER H H 33 6.664 6.664 7.604 -0.940 25332
237 1 4 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.869 -0.084 25332
238 1 4 . 1 1 34 34 GLN H H 34 9.106 9.106 8.258 0.848 25332
239 1 4 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.137 -0.049 25332
240 1 4 . 1 1 35 35 CYS H H 35 8.483 8.483 8.822 -0.339 25332
241 1 5 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.697 0.233 25332
242 1 5 . 1 1 2 2 GLN H H 2 9.375 9.375 8.651 0.724 25332
243 1 5 . 1 1 3 3 SER HA H 3 4.472 4.472 4.435 0.037 25332
244 1 5 . 1 1 3 3 SER H H 3 9.226 9.226 8.640 0.586 25332
245 1 5 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.151 -0.196 25332
246 1 5 . 1 1 4 4 HIS H H 4 8.945 8.945 8.502 0.443 25332
247 1 5 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.189 -0.166 25332
248 1 5 . 1 1 5 5 TYR H H 5 9.455 9.455 9.277 0.178 25332
249 1 5 . 1 1 6 6 GLY H H 6 8.762 8.762 7.855 0.907 25332
250 1 5 . 1 1 7 7 GLN HA H 7 4.305 4.305 5.007 -0.702 25332
251 1 5 . 1 1 7 7 GLN H H 7 8.635 8.635 8.227 0.408 25332
252 1 5 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.255 -0.001 25332
253 1 5 . 1 1 8 8 CYS H H 8 8.014 8.014 8.869 -0.855 25332
254 1 5 . 1 1 9 9 GLY H H 9 6.673 6.673 7.620 -0.947 25332
255 1 5 . 1 1 10 10 GLY H H 10 8.677 8.677 8.000 0.677 25332
256 1 5 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.916 -0.144 25332
257 1 5 . 1 1 11 11 ILE H H 11 8.319 8.319 7.921 0.398 25332
258 1 5 . 1 1 12 12 GLY H H 12 9.094 9.094 8.073 1.021 25332
259 1 5 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.628 -0.061 25332
260 1 5 . 1 1 13 13 TYR H H 13 7.953 7.953 7.742 0.211 25332
261 1 5 . 1 1 14 14 SER HA H 14 4.677 4.677 4.652 0.025 25332
262 1 5 . 1 1 14 14 SER H H 14 8.397 8.397 7.894 0.503 25332
263 1 5 . 1 1 15 15 GLY H H 15 5.226 5.226 7.365 -2.139 25332
264 1 5 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.433 0.022 25332
265 1 5 . 1 1 17 17 THR HA H 17 4.683 4.683 4.726 -0.043 25332
266 1 5 . 1 1 17 17 THR H H 17 8.243 8.243 8.354 -0.111 25332
267 1 5 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.229 -0.160 25332
268 1 5 . 1 1 18 18 VAL H H 18 7.449 7.449 7.487 -0.038 25332
269 1 5 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.640 -0.235 25332
270 1 5 . 1 1 19 19 CYS H H 19 8.732 8.732 8.463 0.269 25332
271 1 5 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.074 0.293 25332
272 1 5 . 1 1 20 20 ALA H H 20 7.502 7.502 8.299 -0.797 25332
273 1 5 . 1 1 21 21 SER HA H 21 4.182 4.182 4.237 -0.055 25332
274 1 5 . 1 1 21 21 SER H H 21 8.718 8.718 8.616 0.102 25332
275 1 5 . 1 1 22 22 GLY H H 22 8.904 8.904 8.279 0.625 25332
276 1 5 . 1 1 23 23 THR HA H 23 4.669 4.669 4.480 0.189 25332
277 1 5 . 1 1 23 23 THR H H 23 8.194 8.194 7.461 0.733 25332
278 1 5 . 1 1 24 24 THR HA H 24 4.507 4.507 4.522 -0.015 25332
279 1 5 . 1 1 24 24 THR H H 24 9.378 9.378 8.503 0.875 25332
280 1 5 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.787 -0.175 25332
281 1 5 . 1 1 25 25 CYS H H 25 8.874 8.874 8.916 -0.042 25332
282 1 5 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.649 -0.065 25332
283 1 5 . 1 1 26 26 GLN H H 26 9.023 9.023 8.954 0.069 25332
284 1 5 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.825 0.256 25332
285 1 5 . 1 1 27 27 VAL H H 27 8.679 8.679 8.608 0.071 25332
286 1 5 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.467 0.262 25332
287 1 5 . 1 1 28 28 LEU H H 28 8.651 8.651 8.165 0.486 25332
288 1 5 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.001 -0.082 25332
289 1 5 . 1 1 29 29 ASN H H 29 8.627 8.627 7.632 0.995 25332
290 1 5 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.566 -0.359 25332
291 1 5 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.676 -0.287 25332
292 1 5 . 1 1 31 31 TYR H H 31 8.704 8.704 7.789 0.915 25332
293 1 5 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.793 -0.193 25332
294 1 5 . 1 1 32 32 TYR H H 32 7.920 7.920 7.646 0.274 25332
295 1 5 . 1 1 33 33 SER HA H 33 5.198 5.198 4.625 0.573 25332
296 1 5 . 1 1 33 33 SER H H 33 6.664 6.664 8.703 -2.039 25332
297 1 5 . 1 1 34 34 GLN HA H 34 4.785 4.785 5.105 -0.320 25332
298 1 5 . 1 1 34 34 GLN H H 34 9.106 9.106 8.325 0.781 25332
299 1 5 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.123 -0.035 25332
300 1 5 . 1 1 35 35 CYS H H 35 8.483 8.483 8.441 0.042 25332
301 1 6 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.692 0.238 25332
302 1 6 . 1 1 2 2 GLN H H 2 9.375 9.375 8.595 0.780 25332
303 1 6 . 1 1 3 3 SER HA H 3 4.472 4.472 4.489 -0.017 25332
304 1 6 . 1 1 3 3 SER H H 3 9.226 9.226 8.658 0.568 25332
305 1 6 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.181 -0.226 25332
306 1 6 . 1 1 4 4 HIS H H 4 8.945 8.945 8.500 0.445 25332
307 1 6 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.137 -0.114 25332
308 1 6 . 1 1 5 5 TYR H H 5 9.455 9.455 9.262 0.193 25332
309 1 6 . 1 1 6 6 GLY H H 6 8.762 8.762 7.960 0.802 25332
310 1 6 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.461 -0.156 25332
311 1 6 . 1 1 7 7 GLN H H 7 8.635 8.635 8.459 0.176 25332
312 1 6 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.311 -0.057 25332
313 1 6 . 1 1 8 8 CYS H H 8 8.014 8.014 8.416 -0.402 25332
314 1 6 . 1 1 9 9 GLY H H 9 6.673 6.673 7.293 -0.620 25332
315 1 6 . 1 1 10 10 GLY H H 10 8.677 8.677 8.178 0.499 25332
316 1 6 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.991 -0.219 25332
317 1 6 . 1 1 11 11 ILE H H 11 8.319 8.319 8.206 0.113 25332
318 1 6 . 1 1 12 12 GLY H H 12 9.094 9.094 8.240 0.854 25332
319 1 6 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.489 0.078 25332
320 1 6 . 1 1 13 13 TYR H H 13 7.953 7.953 7.729 0.224 25332
321 1 6 . 1 1 14 14 SER HA H 14 4.677 4.677 4.438 0.239 25332
322 1 6 . 1 1 14 14 SER H H 14 8.397 8.397 7.872 0.525 25332
323 1 6 . 1 1 15 15 GLY H H 15 5.226 5.226 5.811 -0.585 25332
324 1 6 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.330 0.124 25332
325 1 6 . 1 1 17 17 THR HA H 17 4.683 4.683 4.614 0.069 25332
326 1 6 . 1 1 17 17 THR H H 17 8.243 8.243 8.538 -0.295 25332
327 1 6 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.178 -0.109 25332
328 1 6 . 1 1 18 18 VAL H H 18 7.449 7.449 7.329 0.120 25332
329 1 6 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.768 -0.363 25332
330 1 6 . 1 1 19 19 CYS H H 19 8.732 8.732 8.810 -0.078 25332
331 1 6 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.068 0.299 25332
332 1 6 . 1 1 20 20 ALA H H 20 7.502 7.502 8.312 -0.810 25332
333 1 6 . 1 1 21 21 SER HA H 21 4.182 4.182 4.253 -0.071 25332
334 1 6 . 1 1 21 21 SER H H 21 8.718 8.718 8.675 0.043 25332
335 1 6 . 1 1 22 22 GLY H H 22 8.904 8.904 8.209 0.695 25332
336 1 6 . 1 1 23 23 THR HA H 23 4.669 4.669 4.489 0.180 25332
337 1 6 . 1 1 23 23 THR H H 23 8.194 8.194 7.632 0.562 25332
338 1 6 . 1 1 24 24 THR HA H 24 4.507 4.507 4.484 0.023 25332
339 1 6 . 1 1 24 24 THR H H 24 9.378 9.378 7.696 1.682 25332
340 1 6 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.570 0.042 25332
341 1 6 . 1 1 25 25 CYS H H 25 8.874 8.874 8.987 -0.113 25332
342 1 6 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.603 -0.019 25332
343 1 6 . 1 1 26 26 GLN H H 26 9.023 9.023 9.105 -0.082 25332
344 1 6 . 1 1 27 27 VAL HA H 27 4.081 4.081 4.040 0.041 25332
345 1 6 . 1 1 27 27 VAL H H 27 8.679 8.679 8.470 0.209 25332
346 1 6 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.667 0.062 25332
347 1 6 . 1 1 28 28 LEU H H 28 8.651 8.651 8.793 -0.142 25332
348 1 6 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.123 -0.204 25332
349 1 6 . 1 1 29 29 ASN H H 29 8.627 8.627 8.072 0.555 25332
350 1 6 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.442 -0.235 25332
351 1 6 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.717 -0.328 25332
352 1 6 . 1 1 31 31 TYR H H 31 8.704 8.704 8.785 -0.081 25332
353 1 6 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.718 -0.118 25332
354 1 6 . 1 1 32 32 TYR H H 32 7.920 7.920 7.825 0.095 25332
355 1 6 . 1 1 33 33 SER HA H 33 5.198 5.198 4.885 0.313 25332
356 1 6 . 1 1 33 33 SER H H 33 6.664 6.664 8.813 -2.149 25332
357 1 6 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.872 -0.087 25332
358 1 6 . 1 1 34 34 GLN H H 34 9.106 9.106 8.329 0.777 25332
359 1 6 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.060 0.028 25332
360 1 6 . 1 1 35 35 CYS H H 35 8.483 8.483 8.711 -0.228 25332
361 1 7 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.699 0.231 25332
362 1 7 . 1 1 2 2 GLN H H 2 9.375 9.375 8.568 0.807 25332
363 1 7 . 1 1 3 3 SER HA H 3 4.472 4.472 4.404 0.068 25332
364 1 7 . 1 1 3 3 SER H H 3 9.226 9.226 8.634 0.592 25332
365 1 7 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.077 -0.122 25332
366 1 7 . 1 1 4 4 HIS H H 4 8.945 8.945 8.502 0.443 25332
367 1 7 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.240 -0.217 25332
368 1 7 . 1 1 5 5 TYR H H 5 9.455 9.455 9.270 0.185 25332
369 1 7 . 1 1 6 6 GLY H H 6 8.762 8.762 7.948 0.814 25332
370 1 7 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.572 -0.267 25332
371 1 7 . 1 1 7 7 GLN H H 7 8.635 8.635 8.444 0.191 25332
372 1 7 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.410 -0.156 25332
373 1 7 . 1 1 8 8 CYS H H 8 8.014 8.014 8.396 -0.382 25332
374 1 7 . 1 1 9 9 GLY H H 9 6.673 6.673 7.225 -0.552 25332
375 1 7 . 1 1 10 10 GLY H H 10 8.677 8.677 7.983 0.694 25332
376 1 7 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.924 -0.152 25332
377 1 7 . 1 1 11 11 ILE H H 11 8.319 8.319 8.185 0.134 25332
378 1 7 . 1 1 12 12 GLY H H 12 9.094 9.094 8.366 0.728 25332
379 1 7 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.656 -0.089 25332
380 1 7 . 1 1 13 13 TYR H H 13 7.953 7.953 7.824 0.129 25332
381 1 7 . 1 1 14 14 SER HA H 14 4.677 4.677 4.442 0.235 25332
382 1 7 . 1 1 14 14 SER H H 14 8.397 8.397 7.653 0.744 25332
383 1 7 . 1 1 15 15 GLY H H 15 5.226 5.226 5.849 -0.623 25332
384 1 7 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.307 0.148 25332
385 1 7 . 1 1 17 17 THR HA H 17 4.683 4.683 4.643 0.040 25332
386 1 7 . 1 1 17 17 THR H H 17 8.243 8.243 8.348 -0.105 25332
387 1 7 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.164 -0.095 25332
388 1 7 . 1 1 18 18 VAL H H 18 7.449 7.449 7.384 0.065 25332
389 1 7 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.586 -0.181 25332
390 1 7 . 1 1 19 19 CYS H H 19 8.732 8.732 8.785 -0.053 25332
391 1 7 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.100 0.267 25332
392 1 7 . 1 1 20 20 ALA H H 20 7.502 7.502 8.317 -0.815 25332
393 1 7 . 1 1 21 21 SER HA H 21 4.182 4.182 4.221 -0.039 25332
394 1 7 . 1 1 21 21 SER H H 21 8.718 8.718 8.644 0.074 25332
395 1 7 . 1 1 22 22 GLY H H 22 8.904 8.904 8.124 0.780 25332
396 1 7 . 1 1 23 23 THR HA H 23 4.669 4.669 4.436 0.233 25332
397 1 7 . 1 1 23 23 THR H H 23 8.194 8.194 7.527 0.667 25332
398 1 7 . 1 1 24 24 THR HA H 24 4.507 4.507 4.499 0.008 25332
399 1 7 . 1 1 24 24 THR H H 24 9.378 9.378 7.849 1.529 25332
400 1 7 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.866 -0.254 25332
401 1 7 . 1 1 25 25 CYS H H 25 8.874 8.874 8.940 -0.066 25332
402 1 7 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.623 -0.039 25332
403 1 7 . 1 1 26 26 GLN H H 26 9.023 9.023 9.031 -0.008 25332
404 1 7 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.930 0.151 25332
405 1 7 . 1 1 27 27 VAL H H 27 8.679 8.679 8.566 0.113 25332
406 1 7 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.607 0.122 25332
407 1 7 . 1 1 28 28 LEU H H 28 8.651 8.651 8.430 0.221 25332
408 1 7 . 1 1 29 29 ASN HA H 29 4.919 4.919 4.944 -0.025 25332
409 1 7 . 1 1 29 29 ASN H H 29 8.627 8.627 7.759 0.868 25332
410 1 7 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.512 -0.305 25332
411 1 7 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.644 -0.255 25332
412 1 7 . 1 1 31 31 TYR H H 31 8.704 8.704 7.670 1.034 25332
413 1 7 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.765 -0.165 25332
414 1 7 . 1 1 32 32 TYR H H 32 7.920 7.920 7.971 -0.051 25332
415 1 7 . 1 1 33 33 SER HA H 33 5.198 5.198 4.917 0.281 25332
416 1 7 . 1 1 33 33 SER H H 33 6.664 6.664 8.722 -2.058 25332
417 1 7 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.924 -0.139 25332
418 1 7 . 1 1 34 34 GLN H H 34 9.106 9.106 8.411 0.695 25332
419 1 7 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.118 -0.030 25332
420 1 7 . 1 1 35 35 CYS H H 35 8.483 8.483 8.400 0.083 25332
421 1 8 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.423 0.507 25332
422 1 8 . 1 1 2 2 GLN H H 2 9.375 9.375 8.738 0.637 25332
423 1 8 . 1 1 3 3 SER HA H 3 4.472 4.472 4.554 -0.082 25332
424 1 8 . 1 1 3 3 SER H H 3 9.226 9.226 7.920 1.306 25332
425 1 8 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.784 -0.829 25332
426 1 8 . 1 1 4 4 HIS H H 4 8.945 8.945 8.422 0.523 25332
427 1 8 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.126 -0.103 25332
428 1 8 . 1 1 5 5 TYR H H 5 9.455 9.455 9.239 0.216 25332
429 1 8 . 1 1 6 6 GLY H H 6 8.762 8.762 7.920 0.842 25332
430 1 8 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.405 -0.100 25332
431 1 8 . 1 1 7 7 GLN H H 7 8.635 8.635 8.379 0.256 25332
432 1 8 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.232 0.022 25332
433 1 8 . 1 1 8 8 CYS H H 8 8.014 8.014 8.470 -0.456 25332
434 1 8 . 1 1 9 9 GLY H H 9 6.673 6.673 7.236 -0.563 25332
435 1 8 . 1 1 10 10 GLY H H 10 8.677 8.677 8.098 0.579 25332
436 1 8 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.952 -0.180 25332
437 1 8 . 1 1 11 11 ILE H H 11 8.319 8.319 8.265 0.054 25332
438 1 8 . 1 1 12 12 GLY H H 12 9.094 9.094 8.321 0.773 25332
439 1 8 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.555 0.012 25332
440 1 8 . 1 1 13 13 TYR H H 13 7.953 7.953 7.752 0.201 25332
441 1 8 . 1 1 14 14 SER HA H 14 4.677 4.677 4.550 0.127 25332
442 1 8 . 1 1 14 14 SER H H 14 8.397 8.397 8.170 0.227 25332
443 1 8 . 1 1 15 15 GLY H H 15 5.226 5.226 7.059 -1.833 25332
444 1 8 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.398 0.057 25332
445 1 8 . 1 1 17 17 THR HA H 17 4.683 4.683 4.741 -0.058 25332
446 1 8 . 1 1 17 17 THR H H 17 8.243 8.243 8.318 -0.075 25332
447 1 8 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.195 -0.126 25332
448 1 8 . 1 1 18 18 VAL H H 18 7.449 7.449 7.375 0.074 25332
449 1 8 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.474 -0.069 25332
450 1 8 . 1 1 19 19 CYS H H 19 8.732 8.732 8.481 0.251 25332
451 1 8 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.077 0.290 25332
452 1 8 . 1 1 20 20 ALA H H 20 7.502 7.502 8.210 -0.708 25332
453 1 8 . 1 1 21 21 SER HA H 21 4.182 4.182 4.167 0.015 25332
454 1 8 . 1 1 21 21 SER H H 21 8.718 8.718 8.628 0.090 25332
455 1 8 . 1 1 22 22 GLY H H 22 8.904 8.904 8.156 0.748 25332
456 1 8 . 1 1 23 23 THR HA H 23 4.669 4.669 4.457 0.212 25332
457 1 8 . 1 1 23 23 THR H H 23 8.194 8.194 7.531 0.663 25332
458 1 8 . 1 1 24 24 THR HA H 24 4.507 4.507 4.589 -0.082 25332
459 1 8 . 1 1 24 24 THR H H 24 9.378 9.378 7.896 1.482 25332
460 1 8 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.640 -0.028 25332
461 1 8 . 1 1 25 25 CYS H H 25 8.874 8.874 8.949 -0.075 25332
462 1 8 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.633 -0.049 25332
463 1 8 . 1 1 26 26 GLN H H 26 9.023 9.023 9.076 -0.053 25332
464 1 8 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.913 0.168 25332
465 1 8 . 1 1 27 27 VAL H H 27 8.679 8.679 8.623 0.056 25332
466 1 8 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.587 0.142 25332
467 1 8 . 1 1 28 28 LEU H H 28 8.651 8.651 8.356 0.295 25332
468 1 8 . 1 1 29 29 ASN HA H 29 4.919 4.919 4.943 -0.024 25332
469 1 8 . 1 1 29 29 ASN H H 29 8.627 8.627 7.660 0.967 25332
470 1 8 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.441 -0.234 25332
471 1 8 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.646 -0.258 25332
472 1 8 . 1 1 31 31 TYR H H 31 8.704 8.704 7.744 0.960 25332
473 1 8 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.765 -0.165 25332
474 1 8 . 1 1 32 32 TYR H H 32 7.920 7.920 7.844 0.076 25332
475 1 8 . 1 1 33 33 SER HA H 33 5.198 5.198 4.833 0.365 25332
476 1 8 . 1 1 33 33 SER H H 33 6.664 6.664 8.844 -2.180 25332
477 1 8 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.728 0.057 25332
478 1 8 . 1 1 34 34 GLN H H 34 9.106 9.106 8.504 0.602 25332
479 1 8 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.279 -0.191 25332
480 1 8 . 1 1 35 35 CYS H H 35 8.483 8.483 8.617 -0.134 25332
481 1 9 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.433 0.497 25332
482 1 9 . 1 1 2 2 GLN H H 2 9.375 9.375 8.626 0.749 25332
483 1 9 . 1 1 3 3 SER HA H 3 4.472 4.472 4.523 -0.051 25332
484 1 9 . 1 1 3 3 SER H H 3 9.226 9.226 7.759 1.467 25332
485 1 9 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.531 -0.576 25332
486 1 9 . 1 1 4 4 HIS H H 4 8.945 8.945 8.520 0.425 25332
487 1 9 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.252 -0.229 25332
488 1 9 . 1 1 5 5 TYR H H 5 9.455 9.455 9.344 0.111 25332
489 1 9 . 1 1 6 6 GLY H H 6 8.762 8.762 7.847 0.915 25332
490 1 9 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.417 -0.112 25332
491 1 9 . 1 1 7 7 GLN H H 7 8.635 8.635 8.480 0.155 25332
492 1 9 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.411 -0.157 25332
493 1 9 . 1 1 8 8 CYS H H 8 8.014 8.014 8.189 -0.175 25332
494 1 9 . 1 1 9 9 GLY H H 9 6.673 6.673 7.179 -0.506 25332
495 1 9 . 1 1 10 10 GLY H H 10 8.677 8.677 7.906 0.771 25332
496 1 9 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.852 -0.080 25332
497 1 9 . 1 1 11 11 ILE H H 11 8.319 8.319 8.896 -0.577 25332
498 1 9 . 1 1 12 12 GLY H H 12 9.094 9.094 8.241 0.853 25332
499 1 9 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.695 -0.128 25332
500 1 9 . 1 1 13 13 TYR H H 13 7.953 7.953 7.631 0.322 25332
501 1 9 . 1 1 14 14 SER HA H 14 4.677 4.677 4.559 0.118 25332
502 1 9 . 1 1 14 14 SER H H 14 8.397 8.397 8.045 0.352 25332
503 1 9 . 1 1 15 15 GLY H H 15 5.226 5.226 6.428 -1.202 25332
504 1 9 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.348 0.107 25332
505 1 9 . 1 1 17 17 THR HA H 17 4.683 4.683 4.680 0.003 25332
506 1 9 . 1 1 17 17 THR H H 17 8.243 8.243 8.508 -0.265 25332
507 1 9 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.172 -0.103 25332
508 1 9 . 1 1 18 18 VAL H H 18 7.449 7.449 7.394 0.055 25332
509 1 9 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.429 -0.024 25332
510 1 9 . 1 1 19 19 CYS H H 19 8.732 8.732 8.997 -0.265 25332
511 1 9 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.060 0.307 25332
512 1 9 . 1 1 20 20 ALA H H 20 7.502 7.502 8.285 -0.783 25332
513 1 9 . 1 1 21 21 SER HA H 21 4.182 4.182 4.228 -0.046 25332
514 1 9 . 1 1 21 21 SER H H 21 8.718 8.718 8.624 0.094 25332
515 1 9 . 1 1 22 22 GLY H H 22 8.904 8.904 7.972 0.932 25332
516 1 9 . 1 1 23 23 THR HA H 23 4.669 4.669 4.419 0.250 25332
517 1 9 . 1 1 23 23 THR H H 23 8.194 8.194 7.796 0.398 25332
518 1 9 . 1 1 24 24 THR HA H 24 4.507 4.507 4.533 -0.026 25332
519 1 9 . 1 1 24 24 THR H H 24 9.378 9.378 7.923 1.455 25332
520 1 9 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.819 -0.207 25332
521 1 9 . 1 1 25 25 CYS H H 25 8.874 8.874 8.940 -0.066 25332
522 1 9 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.644 -0.060 25332
523 1 9 . 1 1 26 26 GLN H H 26 9.023 9.023 9.108 -0.085 25332
524 1 9 . 1 1 27 27 VAL HA H 27 4.081 4.081 4.056 0.025 25332
525 1 9 . 1 1 27 27 VAL H H 27 8.679 8.679 8.461 0.218 25332
526 1 9 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.610 0.119 25332
527 1 9 . 1 1 28 28 LEU H H 28 8.651 8.651 8.790 -0.139 25332
528 1 9 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.107 -0.188 25332
529 1 9 . 1 1 29 29 ASN H H 29 8.627 8.627 8.091 0.536 25332
530 1 9 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.385 -0.178 25332
531 1 9 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.741 -0.352 25332
532 1 9 . 1 1 31 31 TYR H H 31 8.704 8.704 8.715 -0.011 25332
533 1 9 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.646 -0.046 25332
534 1 9 . 1 1 32 32 TYR H H 32 7.920 7.920 7.947 -0.027 25332
535 1 9 . 1 1 33 33 SER HA H 33 5.198 5.198 4.890 0.308 25332
536 1 9 . 1 1 33 33 SER H H 33 6.664 6.664 8.854 -2.190 25332
537 1 9 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.823 -0.038 25332
538 1 9 . 1 1 34 34 GLN H H 34 9.106 9.106 8.238 0.868 25332
539 1 9 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.162 -0.074 25332
540 1 9 . 1 1 35 35 CYS H H 35 8.483 8.483 8.859 -0.376 25332
541 1 10 . 1 1 2 2 GLN HA H 2 4.930 4.930 4.650 0.280 25332
542 1 10 . 1 1 2 2 GLN H H 2 9.375 9.375 8.406 0.969 25332
543 1 10 . 1 1 3 3 SER HA H 3 4.472 4.472 4.403 0.069 25332
544 1 10 . 1 1 3 3 SER H H 3 9.226 9.226 8.615 0.611 25332
545 1 10 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.120 -0.165 25332
546 1 10 . 1 1 4 4 HIS H H 4 8.945 8.945 8.521 0.424 25332
547 1 10 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.212 -0.189 25332
548 1 10 . 1 1 5 5 TYR H H 5 9.455 9.455 9.270 0.185 25332
549 1 10 . 1 1 6 6 GLY H H 6 8.762 8.762 7.880 0.882 25332
550 1 10 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.334 -0.029 25332
551 1 10 . 1 1 7 7 GLN H H 7 8.635 8.635 8.467 0.168 25332
552 1 10 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.476 -0.222 25332
553 1 10 . 1 1 8 8 CYS H H 8 8.014 8.014 8.510 -0.496 25332
554 1 10 . 1 1 9 9 GLY H H 9 6.673 6.673 7.388 -0.715 25332
555 1 10 . 1 1 10 10 GLY H H 10 8.677 8.677 8.053 0.624 25332
556 1 10 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.936 -0.164 25332
557 1 10 . 1 1 11 11 ILE H H 11 8.319 8.319 8.443 -0.124 25332
558 1 10 . 1 1 12 12 GLY H H 12 9.094 9.094 8.222 0.872 25332
559 1 10 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.722 -0.155 25332
560 1 10 . 1 1 13 13 TYR H H 13 7.953 7.953 7.613 0.340 25332
561 1 10 . 1 1 14 14 SER HA H 14 4.677 4.677 4.462 0.215 25332
562 1 10 . 1 1 14 14 SER H H 14 8.397 8.397 7.820 0.577 25332
563 1 10 . 1 1 15 15 GLY H H 15 5.226 5.226 5.899 -0.673 25332
564 1 10 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.319 0.136 25332
565 1 10 . 1 1 17 17 THR HA H 17 4.683 4.683 4.586 0.097 25332
566 1 10 . 1 1 17 17 THR H H 17 8.243 8.243 8.512 -0.269 25332
567 1 10 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.096 -0.027 25332
568 1 10 . 1 1 18 18 VAL H H 18 7.449 7.449 7.892 -0.443 25332
569 1 10 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.088 0.317 25332
570 1 10 . 1 1 19 19 CYS H H 19 8.732 8.732 7.848 0.884 25332
571 1 10 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.091 0.276 25332
572 1 10 . 1 1 20 20 ALA H H 20 7.502 7.502 8.284 -0.782 25332
573 1 10 . 1 1 21 21 SER HA H 21 4.182 4.182 4.198 -0.016 25332
574 1 10 . 1 1 21 21 SER H H 21 8.718 8.718 8.682 0.036 25332
575 1 10 . 1 1 22 22 GLY H H 22 8.904 8.904 8.118 0.786 25332
576 1 10 . 1 1 23 23 THR HA H 23 4.669 4.669 4.495 0.174 25332
577 1 10 . 1 1 23 23 THR H H 23 8.194 8.194 7.662 0.532 25332
578 1 10 . 1 1 24 24 THR HA H 24 4.507 4.507 4.600 -0.093 25332
579 1 10 . 1 1 24 24 THR H H 24 9.378 9.378 8.258 1.120 25332
580 1 10 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.708 -0.096 25332
581 1 10 . 1 1 25 25 CYS H H 25 8.874 8.874 8.915 -0.041 25332
582 1 10 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.660 -0.076 25332
583 1 10 . 1 1 26 26 GLN H H 26 9.023 9.023 9.039 -0.016 25332
584 1 10 . 1 1 27 27 VAL HA H 27 4.081 4.081 4.046 0.035 25332
585 1 10 . 1 1 27 27 VAL H H 27 8.679 8.679 8.459 0.220 25332
586 1 10 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.622 0.107 25332
587 1 10 . 1 1 28 28 LEU H H 28 8.651 8.651 8.741 -0.090 25332
588 1 10 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.100 -0.181 25332
589 1 10 . 1 1 29 29 ASN H H 29 8.627 8.627 8.092 0.535 25332
590 1 10 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.447 -0.240 25332
591 1 10 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.708 -0.319 25332
592 1 10 . 1 1 31 31 TYR H H 31 8.704 8.704 8.624 0.080 25332
593 1 10 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.654 -0.054 25332
594 1 10 . 1 1 32 32 TYR H H 32 7.920 7.920 7.880 0.040 25332
595 1 10 . 1 1 33 33 SER HA H 33 5.198 5.198 4.917 0.281 25332
596 1 10 . 1 1 33 33 SER H H 33 6.664 6.664 8.789 -2.125 25332
597 1 10 . 1 1 34 34 GLN HA H 34 4.785 4.785 5.005 -0.220 25332
598 1 10 . 1 1 34 34 GLN H H 34 9.106 9.106 8.468 0.638 25332
599 1 10 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.174 -0.086 25332
600 1 10 . 1 1 35 35 CYS H H 35 8.483 8.483 8.606 -0.123 25332
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 25332
2 1 1 "Average Difference" HA 40 0.255 0.079 0.245 25332
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25332
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25332
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25332
6 1 1 "Average Difference" HN 32 0.690 -0.121 0.690 25332
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25332
8 1 2 "Average Difference" HA 40 0.314 0.102 0.301 25332
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25332
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25332
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25332
12 1 2 "Average Difference" HN 32 0.824 -0.168 0.820 25332
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25332
14 1 3 "Average Difference" HA 40 0.277 0.098 0.262 25332
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25332
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25332
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25332
18 1 3 "Average Difference" HN 32 0.706 -0.169 0.696 25332
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25332
20 1 4 "Average Difference" HA 40 0.294 0.107 0.277 25332
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25332
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25332
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25332
24 1 4 "Average Difference" HN 32 0.686 -0.110 0.688 25332
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25332
26 1 5 "Average Difference" HA 40 0.290 0.083 0.281 25332
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25332
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25332
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25332
30 1 5 "Average Difference" HN 32 0.782 -0.166 0.777 25332
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25332
32 1 6 "Average Difference" HA 40 0.247 0.065 0.241 25332
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25332
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25332
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25332
36 1 6 "Average Difference" HN 32 0.664 -0.135 0.661 25332
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25332
38 1 7 "Average Difference" HA 40 0.250 0.073 0.243 25332
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25332
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25332
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25332
42 1 7 "Average Difference" HN 32 0.686 -0.215 0.662 25332
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25332
44 1 8 "Average Difference" HA 40 0.280 0.065 0.276 25332
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25332
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25332
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25332
48 1 8 "Average Difference" HN 32 0.770 -0.181 0.761 25332
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25332
50 1 9 "Average Difference" HA 40 0.264 0.075 0.257 25332
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25332
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25332
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25332
54 1 9 "Average Difference" HN 32 0.736 -0.125 0.737 25332
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25332
56 1 10 "Average Difference" HA 40 0.254 0.064 0.249 25332
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25332
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25332
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25332
60 1 10 "Average Difference" HN 32 0.668 -0.145 0.662 25332
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 25332
_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 GLN HA H 2 4.930 4.930 4.607 0.323 25332
2 1 . 1 1 2 2 GLN H H 2 9.375 9.375 8.625 0.750 25332
3 1 . 1 1 3 3 SER HA H 3 4.472 4.472 4.470 0.002 25332
4 1 . 1 1 3 3 SER H H 3 9.226 9.226 8.398 0.828 25332
5 1 . 1 1 4 4 HIS HA H 4 3.955 3.955 4.264 -0.309 25332
6 1 . 1 1 4 4 HIS H H 4 8.945 8.945 8.510 0.435 25332
7 1 . 1 1 5 5 TYR HA H 5 4.023 4.023 4.188 -0.165 25332
8 1 . 1 1 5 5 TYR H H 5 9.455 9.455 9.238 0.217 25332
9 1 . 1 1 6 6 GLY H H 6 8.762 8.762 7.883 0.879 25332
10 1 . 1 1 7 7 GLN HA H 7 4.305 4.305 4.591 -0.285 25332
11 1 . 1 1 7 7 GLN H H 7 8.635 8.635 8.405 0.230 25332
12 1 . 1 1 8 8 CYS HA H 8 5.254 5.254 5.342 -0.088 25332
13 1 . 1 1 8 8 CYS H H 8 8.014 8.014 8.466 -0.452 25332
14 1 . 1 1 9 9 GLY H H 9 6.673 6.673 7.340 -0.667 25332
15 1 . 1 1 10 10 GLY H H 10 8.677 8.677 8.052 0.625 25332
16 1 . 1 1 11 11 ILE HA H 11 3.772 3.772 3.942 -0.170 25332
17 1 . 1 1 11 11 ILE H H 11 8.319 8.319 8.248 0.072 25332
18 1 . 1 1 12 12 GLY H H 12 9.094 9.094 8.261 0.833 25332
19 1 . 1 1 13 13 TYR HA H 13 4.567 4.567 4.634 -0.067 25332
20 1 . 1 1 13 13 TYR H H 13 7.953 7.953 7.726 0.227 25332
21 1 . 1 1 14 14 SER HA H 14 4.677 4.677 4.530 0.147 25332
22 1 . 1 1 14 14 SER H H 14 8.397 8.397 7.901 0.496 25332
23 1 . 1 1 15 15 GLY H H 15 5.226 5.226 6.599 -1.373 25332
24 1 . 1 1 16 16 PRO HA H 16 4.455 4.455 4.360 0.095 25332
25 1 . 1 1 17 17 THR HA H 17 4.683 4.683 4.671 0.012 25332
26 1 . 1 1 17 17 THR H H 17 8.243 8.243 8.405 -0.162 25332
27 1 . 1 1 18 18 VAL HA H 18 4.069 4.069 4.186 -0.117 25332
28 1 . 1 1 18 18 VAL H H 18 7.449 7.449 7.454 -0.005 25332
29 1 . 1 1 19 19 CYS HA H 19 4.405 4.405 4.524 -0.119 25332
30 1 . 1 1 19 19 CYS H H 19 8.732 8.732 8.663 0.069 25332
31 1 . 1 1 20 20 ALA HA H 20 4.367 4.367 4.077 0.290 25332
32 1 . 1 1 20 20 ALA H H 20 7.502 7.502 8.319 -0.817 25332
33 1 . 1 1 21 21 SER HA H 21 4.182 4.182 4.217 -0.035 25332
34 1 . 1 1 21 21 SER H H 21 8.718 8.718 8.658 0.060 25332
35 1 . 1 1 22 22 GLY H H 22 8.904 8.904 8.152 0.752 25332
36 1 . 1 1 23 23 THR HA H 23 4.669 4.669 4.487 0.181 25332
37 1 . 1 1 23 23 THR H H 23 8.194 8.194 7.596 0.598 25332
38 1 . 1 1 24 24 THR HA H 24 4.507 4.507 4.566 -0.059 25332
39 1 . 1 1 24 24 THR H H 24 9.378 9.378 8.205 1.173 25332
40 1 . 1 1 25 25 CYS HA H 25 4.612 4.612 4.793 -0.181 25332
41 1 . 1 1 25 25 CYS H H 25 8.874 8.874 8.917 -0.043 25332
42 1 . 1 1 26 26 GLN HA H 26 4.584 4.584 4.631 -0.047 25332
43 1 . 1 1 26 26 GLN H H 26 9.023 9.023 9.069 -0.046 25332
44 1 . 1 1 27 27 VAL HA H 27 4.081 4.081 3.955 0.126 25332
45 1 . 1 1 27 27 VAL H H 27 8.679 8.679 8.532 0.147 25332
46 1 . 1 1 28 28 LEU HA H 28 4.729 4.729 4.575 0.154 25332
47 1 . 1 1 28 28 LEU H H 28 8.651 8.651 8.464 0.187 25332
48 1 . 1 1 29 29 ASN HA H 29 4.919 4.919 5.043 -0.124 25332
49 1 . 1 1 29 29 ASN H H 29 8.627 8.627 7.843 0.784 25332
50 1 . 1 1 30 30 PRO HA H 30 4.207 4.207 4.489 -0.282 25332
51 1 . 1 1 31 31 TYR HA H 31 4.389 4.389 4.683 -0.294 25332
52 1 . 1 1 31 31 TYR H H 31 8.704 8.704 8.125 0.580 25332
53 1 . 1 1 32 32 TYR HA H 32 4.600 4.600 4.780 -0.180 25332
54 1 . 1 1 32 32 TYR H H 32 7.920 7.920 7.854 0.066 25332
55 1 . 1 1 33 33 SER HA H 33 5.198 5.198 4.802 0.396 25332
56 1 . 1 1 33 33 SER H H 33 6.664 6.664 8.744 -2.080 25332
57 1 . 1 1 34 34 GLN HA H 34 4.785 4.785 4.881 -0.096 25332
58 1 . 1 1 34 34 GLN H H 34 9.106 9.106 8.383 0.723 25332
59 1 . 1 1 35 35 CYS HA H 35 5.088 5.088 5.201 -0.113 25332
60 1 . 1 1 35 35 CYS H H 35 8.483 8.483 8.648 -0.165 25332
stop_
save_