data_18536
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18536
_Entry.PDB_ID 2LUR
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 18536
_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 H H 2 8.196 8.196 8.208 -0.012 18536
2 1 1 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.839 -0.320 18536
3 1 1 . 1 1 3 3 GLU H H 3 7.892 7.892 7.844 0.048 18536
4 1 1 . 1 1 4 4 THR HA H 4 4.597 4.597 4.634 -0.037 18536
5 1 1 . 1 1 4 4 THR H H 4 8.143 8.143 8.268 -0.125 18536
6 1 1 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.958 -0.206 18536
7 1 1 . 1 1 5 5 CYS H H 5 8.564 8.564 8.501 0.063 18536
8 1 1 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.524 0.438 18536
9 1 1 . 1 1 6 6 VAL H H 6 8.369 8.369 7.645 0.724 18536
10 1 1 . 1 1 7 7 GLY H H 7 8.803 8.803 8.275 0.528 18536
11 1 1 . 1 1 8 8 GLY H H 8 8.267 8.267 8.143 0.124 18536
12 1 1 . 1 1 9 9 THR HA H 9 4.624 4.624 4.520 0.104 18536
13 1 1 . 1 1 9 9 THR H H 9 7.680 7.680 7.763 -0.083 18536
14 1 1 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.660 0.085 18536
15 1 1 . 1 1 10 10 CYS H H 10 8.068 8.068 8.689 -0.621 18536
16 1 1 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.729 -0.139 18536
17 1 1 . 1 1 11 11 ASN H H 11 8.739 8.739 8.649 0.090 18536
18 1 1 . 1 1 12 12 THR HA H 12 4.531 4.531 4.792 -0.261 18536
19 1 1 . 1 1 12 12 THR H H 12 7.972 7.972 7.852 0.120 18536
20 1 1 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.316 -0.090 18536
21 1 1 . 1 1 14 14 GLY H H 14 8.579 8.579 8.458 0.121 18536
22 1 1 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.626 0.285 18536
23 1 1 . 1 1 15 15 CYS H H 15 7.677 7.677 7.802 -0.125 18536
24 1 1 . 1 1 16 16 THR HA H 16 4.464 4.464 4.741 -0.277 18536
25 1 1 . 1 1 16 16 THR H H 16 9.017 9.017 8.450 0.567 18536
26 1 1 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.506 0.082 18536
27 1 1 . 1 1 17 17 CYS H H 17 9.050 9.050 8.847 0.203 18536
28 1 1 . 1 1 18 18 SER HA H 18 4.661 4.661 4.811 -0.150 18536
29 1 1 . 1 1 18 18 SER H H 18 8.938 8.938 8.594 0.344 18536
30 1 1 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.633 -0.526 18536
31 1 1 . 1 1 19 19 TRP H H 19 8.380 8.380 7.727 0.653 18536
32 1 1 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.737 0.629 18536
33 1 1 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.097 0.139 18536
34 1 1 . 1 1 21 21 VAL H H 21 8.226 8.226 7.376 0.850 18536
35 1 1 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.797 0.190 18536
36 1 1 . 1 1 22 22 CYS H H 22 7.975 7.975 8.218 -0.243 18536
37 1 1 . 1 1 23 23 GLY H H 23 8.748 8.748 8.908 -0.160 18536
38 1 1 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.169 -0.398 18536
39 1 1 . 1 1 24 24 HIS H H 24 8.346 8.346 8.013 0.333 18536
40 1 1 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.698 -0.237 18536
41 1 1 . 1 1 25 25 PHE H H 25 8.411 8.411 8.830 -0.419 18536
42 1 1 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.023 -0.144 18536
43 1 1 . 1 1 26 26 ARG H H 26 8.274 8.274 8.320 -0.046 18536
44 1 1 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.634 0.043 18536
45 1 1 . 1 1 27 27 TRP H H 27 7.699 7.699 7.583 0.116 18536
46 1 1 . 1 1 28 28 GLY H H 28 7.922 7.922 8.742 -0.820 18536
47 1 2 . 1 1 2 2 GLY H H 2 8.196 8.196 8.406 -0.210 18536
48 1 2 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.697 -0.178 18536
49 1 2 . 1 1 3 3 GLU H H 3 7.892 7.892 7.980 -0.088 18536
50 1 2 . 1 1 4 4 THR HA H 4 4.597 4.597 4.489 0.108 18536
51 1 2 . 1 1 4 4 THR H H 4 8.143 8.143 8.252 -0.109 18536
52 1 2 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.744 0.008 18536
53 1 2 . 1 1 5 5 CYS H H 5 8.564 8.564 8.875 -0.311 18536
54 1 2 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.468 0.494 18536
55 1 2 . 1 1 6 6 VAL H H 6 8.369 8.369 8.106 0.263 18536
56 1 2 . 1 1 7 7 GLY H H 7 8.803 8.803 8.291 0.512 18536
57 1 2 . 1 1 8 8 GLY H H 8 8.267 8.267 7.866 0.401 18536
58 1 2 . 1 1 9 9 THR HA H 9 4.624 4.624 4.507 0.117 18536
59 1 2 . 1 1 9 9 THR H H 9 7.680 7.680 8.047 -0.367 18536
60 1 2 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.890 -0.145 18536
61 1 2 . 1 1 10 10 CYS H H 10 8.068 8.068 8.140 -0.072 18536
62 1 2 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.870 -0.280 18536
63 1 2 . 1 1 11 11 ASN H H 11 8.739 8.739 8.246 0.493 18536
64 1 2 . 1 1 12 12 THR HA H 12 4.531 4.531 4.793 -0.262 18536
65 1 2 . 1 1 12 12 THR H H 12 7.972 7.972 8.230 -0.258 18536
66 1 2 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.379 -0.153 18536
67 1 2 . 1 1 14 14 GLY H H 14 8.579 8.579 8.484 0.095 18536
68 1 2 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.821 0.090 18536
69 1 2 . 1 1 15 15 CYS H H 15 7.677 7.677 7.845 -0.168 18536
70 1 2 . 1 1 16 16 THR HA H 16 4.464 4.464 4.602 -0.138 18536
71 1 2 . 1 1 16 16 THR H H 16 9.017 9.017 8.000 1.018 18536
72 1 2 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.720 -0.132 18536
73 1 2 . 1 1 17 17 CYS H H 17 9.050 9.050 8.226 0.824 18536
74 1 2 . 1 1 18 18 SER HA H 18 4.661 4.661 4.841 -0.180 18536
75 1 2 . 1 1 18 18 SER H H 18 8.938 8.938 8.640 0.298 18536
76 1 2 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.530 -0.423 18536
77 1 2 . 1 1 19 19 TRP H H 19 8.380 8.380 7.828 0.552 18536
78 1 2 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.780 0.586 18536
79 1 2 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.808 0.428 18536
80 1 2 . 1 1 21 21 VAL H H 21 8.226 8.226 7.459 0.767 18536
81 1 2 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.653 0.334 18536
82 1 2 . 1 1 22 22 CYS H H 22 7.975 7.975 8.094 -0.119 18536
83 1 2 . 1 1 23 23 GLY H H 23 8.748 8.748 8.731 0.017 18536
84 1 2 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.972 -0.201 18536
85 1 2 . 1 1 24 24 HIS H H 24 8.346 8.346 8.129 0.217 18536
86 1 2 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.644 -0.183 18536
87 1 2 . 1 1 25 25 PHE H H 25 8.411 8.411 8.809 -0.398 18536
88 1 2 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.944 -0.065 18536
89 1 2 . 1 1 26 26 ARG H H 26 8.274 8.274 8.319 -0.045 18536
90 1 2 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.563 0.114 18536
91 1 2 . 1 1 27 27 TRP H H 27 7.699 7.699 7.537 0.162 18536
92 1 2 . 1 1 28 28 GLY H H 28 7.922 7.922 8.683 -0.761 18536
93 1 3 . 1 1 2 2 GLY H H 2 8.196 8.196 8.390 -0.194 18536
94 1 3 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.788 -0.269 18536
95 1 3 . 1 1 3 3 GLU H H 3 7.892 7.892 7.846 0.046 18536
96 1 3 . 1 1 4 4 THR HA H 4 4.597 4.597 4.486 0.111 18536
97 1 3 . 1 1 4 4 THR H H 4 8.143 8.143 8.364 -0.221 18536
98 1 3 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.811 -0.059 18536
99 1 3 . 1 1 5 5 CYS H H 5 8.564 8.564 8.620 -0.056 18536
100 1 3 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.466 0.496 18536
101 1 3 . 1 1 6 6 VAL H H 6 8.369 8.369 8.346 0.023 18536
102 1 3 . 1 1 7 7 GLY H H 7 8.803 8.803 8.330 0.473 18536
103 1 3 . 1 1 8 8 GLY H H 8 8.267 8.267 7.994 0.273 18536
104 1 3 . 1 1 9 9 THR HA H 9 4.624 4.624 4.568 0.056 18536
105 1 3 . 1 1 9 9 THR H H 9 7.680 7.680 7.898 -0.218 18536
106 1 3 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.725 0.020 18536
107 1 3 . 1 1 10 10 CYS H H 10 8.068 8.068 8.532 -0.464 18536
108 1 3 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.904 -0.314 18536
109 1 3 . 1 1 11 11 ASN H H 11 8.739 8.739 8.373 0.366 18536
110 1 3 . 1 1 12 12 THR HA H 12 4.531 4.531 4.773 -0.242 18536
111 1 3 . 1 1 12 12 THR H H 12 7.972 7.972 8.000 -0.028 18536
112 1 3 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.348 -0.122 18536
113 1 3 . 1 1 14 14 GLY H H 14 8.579 8.579 8.402 0.177 18536
114 1 3 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.787 0.124 18536
115 1 3 . 1 1 15 15 CYS H H 15 7.677 7.677 7.914 -0.237 18536
116 1 3 . 1 1 16 16 THR HA H 16 4.464 4.464 4.603 -0.139 18536
117 1 3 . 1 1 16 16 THR H H 16 9.017 9.017 8.151 0.866 18536
118 1 3 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.621 -0.033 18536
119 1 3 . 1 1 17 17 CYS H H 17 9.050 9.050 8.290 0.760 18536
120 1 3 . 1 1 18 18 SER HA H 18 4.661 4.661 4.780 -0.119 18536
121 1 3 . 1 1 18 18 SER H H 18 8.938 8.938 8.528 0.410 18536
122 1 3 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.630 -0.523 18536
123 1 3 . 1 1 19 19 TRP H H 19 8.380 8.380 7.676 0.704 18536
124 1 3 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.751 0.615 18536
125 1 3 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.853 0.383 18536
126 1 3 . 1 1 21 21 VAL H H 21 8.226 8.226 7.406 0.820 18536
127 1 3 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.684 0.303 18536
128 1 3 . 1 1 22 22 CYS H H 22 7.975 7.975 8.076 -0.101 18536
129 1 3 . 1 1 23 23 GLY H H 23 8.748 8.748 8.707 0.041 18536
130 1 3 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.943 -0.172 18536
131 1 3 . 1 1 24 24 HIS H H 24 8.346 8.346 8.010 0.336 18536
132 1 3 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.698 -0.237 18536
133 1 3 . 1 1 25 25 PHE H H 25 8.411 8.411 8.829 -0.418 18536
134 1 3 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.105 -0.226 18536
135 1 3 . 1 1 26 26 ARG H H 26 8.274 8.274 8.277 -0.003 18536
136 1 3 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.658 0.019 18536
137 1 3 . 1 1 27 27 TRP H H 27 7.699 7.699 7.539 0.160 18536
138 1 3 . 1 1 28 28 GLY H H 28 7.922 7.922 8.633 -0.711 18536
139 1 4 . 1 1 2 2 GLY H H 2 8.196 8.196 8.304 -0.108 18536
140 1 4 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.816 -0.297 18536
141 1 4 . 1 1 3 3 GLU H H 3 7.892 7.892 7.826 0.066 18536
142 1 4 . 1 1 4 4 THR HA H 4 4.597 4.597 4.601 -0.004 18536
143 1 4 . 1 1 4 4 THR H H 4 8.143 8.143 8.349 -0.206 18536
144 1 4 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.963 -0.211 18536
145 1 4 . 1 1 5 5 CYS H H 5 8.564 8.564 8.534 0.030 18536
146 1 4 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.723 0.239 18536
147 1 4 . 1 1 6 6 VAL H H 6 8.369 8.369 8.499 -0.130 18536
148 1 4 . 1 1 7 7 GLY H H 7 8.803 8.803 8.129 0.674 18536
149 1 4 . 1 1 8 8 GLY H H 8 8.267 8.267 7.914 0.353 18536
150 1 4 . 1 1 9 9 THR HA H 9 4.624 4.624 4.500 0.124 18536
151 1 4 . 1 1 9 9 THR H H 9 7.680 7.680 7.929 -0.249 18536
152 1 4 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.630 0.115 18536
153 1 4 . 1 1 10 10 CYS H H 10 8.068 8.068 8.110 -0.042 18536
154 1 4 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.651 -0.061 18536
155 1 4 . 1 1 11 11 ASN H H 11 8.739 8.739 8.280 0.459 18536
156 1 4 . 1 1 12 12 THR HA H 12 4.531 4.531 4.720 -0.189 18536
157 1 4 . 1 1 12 12 THR H H 12 7.972 7.972 7.949 0.024 18536
158 1 4 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.395 -0.169 18536
159 1 4 . 1 1 14 14 GLY H H 14 8.579 8.579 8.543 0.036 18536
160 1 4 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.857 0.054 18536
161 1 4 . 1 1 15 15 CYS H H 15 7.677 7.677 7.863 -0.186 18536
162 1 4 . 1 1 16 16 THR HA H 16 4.464 4.464 4.815 -0.351 18536
163 1 4 . 1 1 16 16 THR H H 16 9.017 9.017 8.609 0.408 18536
164 1 4 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.610 -0.022 18536
165 1 4 . 1 1 17 17 CYS H H 17 9.050 9.050 8.793 0.257 18536
166 1 4 . 1 1 18 18 SER HA H 18 4.661 4.661 4.802 -0.141 18536
167 1 4 . 1 1 18 18 SER H H 18 8.938 8.938 8.582 0.356 18536
168 1 4 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.644 -0.537 18536
169 1 4 . 1 1 19 19 TRP H H 19 8.380 8.380 8.042 0.338 18536
170 1 4 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.758 0.608 18536
171 1 4 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.093 0.143 18536
172 1 4 . 1 1 21 21 VAL H H 21 8.226 8.226 7.443 0.783 18536
173 1 4 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.897 0.090 18536
174 1 4 . 1 1 22 22 CYS H H 22 7.975 7.975 8.196 -0.221 18536
175 1 4 . 1 1 23 23 GLY H H 23 8.748 8.748 8.865 -0.117 18536
176 1 4 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.293 -0.522 18536
177 1 4 . 1 1 24 24 HIS H H 24 8.346 8.346 7.842 0.504 18536
178 1 4 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.737 -0.276 18536
179 1 4 . 1 1 25 25 PHE H H 25 8.411 8.411 8.932 -0.521 18536
180 1 4 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.085 -0.206 18536
181 1 4 . 1 1 26 26 ARG H H 26 8.274 8.274 8.311 -0.037 18536
182 1 4 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.563 0.114 18536
183 1 4 . 1 1 27 27 TRP H H 27 7.699 7.699 7.543 0.156 18536
184 1 4 . 1 1 28 28 GLY H H 28 7.922 7.922 8.775 -0.853 18536
185 1 5 . 1 1 2 2 GLY H H 2 8.196 8.196 8.203 -0.007 18536
186 1 5 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.725 -0.206 18536
187 1 5 . 1 1 3 3 GLU H H 3 7.892 7.892 7.876 0.016 18536
188 1 5 . 1 1 4 4 THR HA H 4 4.597 4.597 4.682 -0.085 18536
189 1 5 . 1 1 4 4 THR H H 4 8.143 8.143 8.256 -0.113 18536
190 1 5 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.945 -0.193 18536
191 1 5 . 1 1 5 5 CYS H H 5 8.564 8.564 8.550 0.014 18536
192 1 5 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.692 0.270 18536
193 1 5 . 1 1 6 6 VAL H H 6 8.369 8.369 7.972 0.397 18536
194 1 5 . 1 1 7 7 GLY H H 7 8.803 8.803 8.284 0.519 18536
195 1 5 . 1 1 8 8 GLY H H 8 8.267 8.267 8.141 0.126 18536
196 1 5 . 1 1 9 9 THR HA H 9 4.624 4.624 4.604 0.020 18536
197 1 5 . 1 1 9 9 THR H H 9 7.680 7.680 7.683 -0.003 18536
198 1 5 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.644 0.101 18536
199 1 5 . 1 1 10 10 CYS H H 10 8.068 8.068 8.763 -0.695 18536
200 1 5 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.695 -0.105 18536
201 1 5 . 1 1 11 11 ASN H H 11 8.739 8.739 8.502 0.237 18536
202 1 5 . 1 1 12 12 THR HA H 12 4.531 4.531 4.803 -0.272 18536
203 1 5 . 1 1 12 12 THR H H 12 7.972 7.972 7.859 0.113 18536
204 1 5 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.314 -0.088 18536
205 1 5 . 1 1 14 14 GLY H H 14 8.579 8.579 8.513 0.066 18536
206 1 5 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.690 0.221 18536
207 1 5 . 1 1 15 15 CYS H H 15 7.677 7.677 7.882 -0.205 18536
208 1 5 . 1 1 16 16 THR HA H 16 4.464 4.464 4.648 -0.184 18536
209 1 5 . 1 1 16 16 THR H H 16 9.017 9.017 8.402 0.615 18536
210 1 5 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.514 0.074 18536
211 1 5 . 1 1 17 17 CYS H H 17 9.050 9.050 8.897 0.153 18536
212 1 5 . 1 1 18 18 SER HA H 18 4.661 4.661 4.829 -0.168 18536
213 1 5 . 1 1 18 18 SER H H 18 8.938 8.938 8.498 0.440 18536
214 1 5 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.621 -0.514 18536
215 1 5 . 1 1 19 19 TRP H H 19 8.380 8.380 7.808 0.572 18536
216 1 5 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.718 0.648 18536
217 1 5 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.073 0.163 18536
218 1 5 . 1 1 21 21 VAL H H 21 8.226 8.226 7.472 0.754 18536
219 1 5 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.873 0.114 18536
220 1 5 . 1 1 22 22 CYS H H 22 7.975 7.975 8.216 -0.241 18536
221 1 5 . 1 1 23 23 GLY H H 23 8.748 8.748 8.804 -0.056 18536
222 1 5 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.006 -0.235 18536
223 1 5 . 1 1 24 24 HIS H H 24 8.346 8.346 7.885 0.461 18536
224 1 5 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.635 -0.174 18536
225 1 5 . 1 1 25 25 PHE H H 25 8.411 8.411 8.891 -0.480 18536
226 1 5 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.940 -0.061 18536
227 1 5 . 1 1 26 26 ARG H H 26 8.274 8.274 8.307 -0.033 18536
228 1 5 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.581 0.096 18536
229 1 5 . 1 1 27 27 TRP H H 27 7.699 7.699 7.544 0.155 18536
230 1 5 . 1 1 28 28 GLY H H 28 7.922 7.922 8.648 -0.726 18536
231 1 6 . 1 1 2 2 GLY H H 2 8.196 8.196 8.331 -0.135 18536
232 1 6 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.679 -0.160 18536
233 1 6 . 1 1 3 3 GLU H H 3 7.892 7.892 7.981 -0.089 18536
234 1 6 . 1 1 4 4 THR HA H 4 4.597 4.597 4.481 0.116 18536
235 1 6 . 1 1 4 4 THR H H 4 8.143 8.143 8.156 -0.013 18536
236 1 6 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.739 0.013 18536
237 1 6 . 1 1 5 5 CYS H H 5 8.564 8.564 8.727 -0.163 18536
238 1 6 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.504 0.458 18536
239 1 6 . 1 1 6 6 VAL H H 6 8.369 8.369 8.376 -0.007 18536
240 1 6 . 1 1 7 7 GLY H H 7 8.803 8.803 8.251 0.552 18536
241 1 6 . 1 1 8 8 GLY H H 8 8.267 8.267 7.982 0.285 18536
242 1 6 . 1 1 9 9 THR HA H 9 4.624 4.624 4.506 0.118 18536
243 1 6 . 1 1 9 9 THR H H 9 7.680 7.680 7.811 -0.131 18536
244 1 6 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.785 -0.040 18536
245 1 6 . 1 1 10 10 CYS H H 10 8.068 8.068 8.641 -0.573 18536
246 1 6 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.822 -0.232 18536
247 1 6 . 1 1 11 11 ASN H H 11 8.739 8.739 8.691 0.048 18536
248 1 6 . 1 1 12 12 THR HA H 12 4.531 4.531 4.689 -0.158 18536
249 1 6 . 1 1 12 12 THR H H 12 7.972 7.972 7.783 0.189 18536
250 1 6 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.344 -0.118 18536
251 1 6 . 1 1 14 14 GLY H H 14 8.579 8.579 8.507 0.072 18536
252 1 6 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.716 0.195 18536
253 1 6 . 1 1 15 15 CYS H H 15 7.677 7.677 7.907 -0.230 18536
254 1 6 . 1 1 16 16 THR HA H 16 4.464 4.464 4.643 -0.179 18536
255 1 6 . 1 1 16 16 THR H H 16 9.017 9.017 8.059 0.958 18536
256 1 6 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.565 0.023 18536
257 1 6 . 1 1 17 17 CYS H H 17 9.050 9.050 8.368 0.682 18536
258 1 6 . 1 1 18 18 SER HA H 18 4.661 4.661 4.836 -0.175 18536
259 1 6 . 1 1 18 18 SER H H 18 8.938 8.938 8.556 0.382 18536
260 1 6 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.549 -0.442 18536
261 1 6 . 1 1 19 19 TRP H H 19 8.380 8.380 7.716 0.664 18536
262 1 6 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.758 0.608 18536
263 1 6 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.892 0.344 18536
264 1 6 . 1 1 21 21 VAL H H 21 8.226 8.226 7.372 0.854 18536
265 1 6 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.642 0.345 18536
266 1 6 . 1 1 22 22 CYS H H 22 7.975 7.975 8.069 -0.094 18536
267 1 6 . 1 1 23 23 GLY H H 23 8.748 8.748 8.790 -0.042 18536
268 1 6 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.905 -0.134 18536
269 1 6 . 1 1 24 24 HIS H H 24 8.346 8.346 8.006 0.340 18536
270 1 6 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.513 -0.052 18536
271 1 6 . 1 1 25 25 PHE H H 25 8.411 8.411 8.776 -0.365 18536
272 1 6 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.024 -0.145 18536
273 1 6 . 1 1 26 26 ARG H H 26 8.274 8.274 8.264 0.010 18536
274 1 6 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.572 0.105 18536
275 1 6 . 1 1 27 27 TRP H H 27 7.699 7.699 7.574 0.125 18536
276 1 6 . 1 1 28 28 GLY H H 28 7.922 7.922 8.756 -0.834 18536
277 1 7 . 1 1 2 2 GLY H H 2 8.196 8.196 8.236 -0.040 18536
278 1 7 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.828 -0.309 18536
279 1 7 . 1 1 3 3 GLU H H 3 7.892 7.892 7.833 0.059 18536
280 1 7 . 1 1 4 4 THR HA H 4 4.597 4.597 4.564 0.033 18536
281 1 7 . 1 1 4 4 THR H H 4 8.143 8.143 8.270 -0.127 18536
282 1 7 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.934 -0.182 18536
283 1 7 . 1 1 5 5 CYS H H 5 8.564 8.564 8.437 0.127 18536
284 1 7 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.595 0.367 18536
285 1 7 . 1 1 6 6 VAL H H 6 8.369 8.369 7.678 0.691 18536
286 1 7 . 1 1 7 7 GLY H H 7 8.803 8.803 8.346 0.457 18536
287 1 7 . 1 1 8 8 GLY H H 8 8.267 8.267 8.204 0.063 18536
288 1 7 . 1 1 9 9 THR HA H 9 4.624 4.624 4.530 0.094 18536
289 1 7 . 1 1 9 9 THR H H 9 7.680 7.680 7.756 -0.076 18536
290 1 7 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.666 0.079 18536
291 1 7 . 1 1 10 10 CYS H H 10 8.068 8.068 8.641 -0.573 18536
292 1 7 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.957 -0.367 18536
293 1 7 . 1 1 11 11 ASN H H 11 8.739 8.739 8.770 -0.031 18536
294 1 7 . 1 1 12 12 THR HA H 12 4.531 4.531 4.769 -0.238 18536
295 1 7 . 1 1 12 12 THR H H 12 7.972 7.972 7.802 0.170 18536
296 1 7 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.360 -0.134 18536
297 1 7 . 1 1 14 14 GLY H H 14 8.579 8.579 8.471 0.108 18536
298 1 7 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.621 0.290 18536
299 1 7 . 1 1 15 15 CYS H H 15 7.677 7.677 7.788 -0.111 18536
300 1 7 . 1 1 16 16 THR HA H 16 4.464 4.464 4.785 -0.321 18536
301 1 7 . 1 1 16 16 THR H H 16 9.017 9.017 8.625 0.392 18536
302 1 7 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.570 0.018 18536
303 1 7 . 1 1 17 17 CYS H H 17 9.050 9.050 8.729 0.321 18536
304 1 7 . 1 1 18 18 SER HA H 18 4.661 4.661 4.785 -0.124 18536
305 1 7 . 1 1 18 18 SER H H 18 8.938 8.938 8.611 0.327 18536
306 1 7 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.568 -0.461 18536
307 1 7 . 1 1 19 19 TRP H H 19 8.380 8.380 7.824 0.556 18536
308 1 7 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.714 0.652 18536
309 1 7 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.087 0.149 18536
310 1 7 . 1 1 21 21 VAL H H 21 8.226 8.226 7.461 0.765 18536
311 1 7 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.810 0.177 18536
312 1 7 . 1 1 22 22 CYS H H 22 7.975 7.975 8.236 -0.261 18536
313 1 7 . 1 1 23 23 GLY H H 23 8.748 8.748 8.795 -0.047 18536
314 1 7 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.029 -0.258 18536
315 1 7 . 1 1 24 24 HIS H H 24 8.346 8.346 8.107 0.239 18536
316 1 7 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.591 -0.130 18536
317 1 7 . 1 1 25 25 PHE H H 25 8.411 8.411 8.700 -0.289 18536
318 1 7 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.957 -0.078 18536
319 1 7 . 1 1 26 26 ARG H H 26 8.274 8.274 8.332 -0.058 18536
320 1 7 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.562 0.115 18536
321 1 7 . 1 1 27 27 TRP H H 27 7.699 7.699 7.539 0.160 18536
322 1 7 . 1 1 28 28 GLY H H 28 7.922 7.922 8.730 -0.808 18536
323 1 8 . 1 1 2 2 GLY H H 2 8.196 8.196 8.230 -0.034 18536
324 1 8 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.739 -0.220 18536
325 1 8 . 1 1 3 3 GLU H H 3 7.892 7.892 7.977 -0.085 18536
326 1 8 . 1 1 4 4 THR HA H 4 4.597 4.597 4.516 0.081 18536
327 1 8 . 1 1 4 4 THR H H 4 8.143 8.143 8.293 -0.150 18536
328 1 8 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.769 -0.017 18536
329 1 8 . 1 1 5 5 CYS H H 5 8.564 8.564 8.956 -0.392 18536
330 1 8 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.278 0.684 18536
331 1 8 . 1 1 6 6 VAL H H 6 8.369 8.369 7.696 0.673 18536
332 1 8 . 1 1 7 7 GLY H H 7 8.803 8.803 8.394 0.409 18536
333 1 8 . 1 1 8 8 GLY H H 8 8.267 8.267 8.055 0.212 18536
334 1 8 . 1 1 9 9 THR HA H 9 4.624 4.624 4.580 0.044 18536
335 1 8 . 1 1 9 9 THR H H 9 7.680 7.680 7.721 -0.041 18536
336 1 8 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.808 -0.063 18536
337 1 8 . 1 1 10 10 CYS H H 10 8.068 8.068 8.614 -0.546 18536
338 1 8 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.557 0.033 18536
339 1 8 . 1 1 11 11 ASN H H 11 8.739 8.739 8.116 0.623 18536
340 1 8 . 1 1 12 12 THR HA H 12 4.531 4.531 4.830 -0.299 18536
341 1 8 . 1 1 12 12 THR H H 12 7.972 7.972 8.166 -0.194 18536
342 1 8 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.365 -0.139 18536
343 1 8 . 1 1 14 14 GLY H H 14 8.579 8.579 8.519 0.060 18536
344 1 8 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.714 0.197 18536
345 1 8 . 1 1 15 15 CYS H H 15 7.677 7.677 7.800 -0.123 18536
346 1 8 . 1 1 16 16 THR HA H 16 4.464 4.464 4.633 -0.169 18536
347 1 8 . 1 1 16 16 THR H H 16 9.017 9.017 8.110 0.907 18536
348 1 8 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.287 0.301 18536
349 1 8 . 1 1 17 17 CYS H H 17 9.050 9.050 8.890 0.160 18536
350 1 8 . 1 1 18 18 SER HA H 18 4.661 4.661 4.771 -0.110 18536
351 1 8 . 1 1 18 18 SER H H 18 8.938 8.938 8.503 0.435 18536
352 1 8 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.511 -0.404 18536
353 1 8 . 1 1 19 19 TRP H H 19 8.380 8.380 7.904 0.476 18536
354 1 8 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.767 0.599 18536
355 1 8 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.836 0.400 18536
356 1 8 . 1 1 21 21 VAL H H 21 8.226 8.226 7.464 0.762 18536
357 1 8 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.677 0.310 18536
358 1 8 . 1 1 22 22 CYS H H 22 7.975 7.975 8.111 -0.136 18536
359 1 8 . 1 1 23 23 GLY H H 23 8.748 8.748 8.758 -0.010 18536
360 1 8 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.028 -0.257 18536
361 1 8 . 1 1 24 24 HIS H H 24 8.346 8.346 7.675 0.671 18536
362 1 8 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.714 -0.253 18536
363 1 8 . 1 1 25 25 PHE H H 25 8.411 8.411 8.778 -0.367 18536
364 1 8 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.942 -0.063 18536
365 1 8 . 1 1 26 26 ARG H H 26 8.274 8.274 8.208 0.066 18536
366 1 8 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.582 0.095 18536
367 1 8 . 1 1 27 27 TRP H H 27 7.699 7.699 7.553 0.146 18536
368 1 8 . 1 1 28 28 GLY H H 28 7.922 7.922 8.823 -0.901 18536
369 1 9 . 1 1 2 2 GLY H H 2 8.196 8.196 8.311 -0.115 18536
370 1 9 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.742 -0.223 18536
371 1 9 . 1 1 3 3 GLU H H 3 7.892 7.892 7.850 0.042 18536
372 1 9 . 1 1 4 4 THR HA H 4 4.597 4.597 4.568 0.029 18536
373 1 9 . 1 1 4 4 THR H H 4 8.143 8.143 8.270 -0.127 18536
374 1 9 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.951 -0.199 18536
375 1 9 . 1 1 5 5 CYS H H 5 8.564 8.564 8.445 0.119 18536
376 1 9 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.689 0.273 18536
377 1 9 . 1 1 6 6 VAL H H 6 8.369 8.369 7.370 0.999 18536
378 1 9 . 1 1 7 7 GLY H H 7 8.803 8.803 8.328 0.475 18536
379 1 9 . 1 1 8 8 GLY H H 8 8.267 8.267 8.172 0.095 18536
380 1 9 . 1 1 9 9 THR HA H 9 4.624 4.624 4.565 0.059 18536
381 1 9 . 1 1 9 9 THR H H 9 7.680 7.680 7.659 0.021 18536
382 1 9 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.648 0.097 18536
383 1 9 . 1 1 10 10 CYS H H 10 8.068 8.068 8.602 -0.534 18536
384 1 9 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.653 -0.063 18536
385 1 9 . 1 1 11 11 ASN H H 11 8.739 8.739 8.513 0.226 18536
386 1 9 . 1 1 12 12 THR HA H 12 4.531 4.531 4.784 -0.253 18536
387 1 9 . 1 1 12 12 THR H H 12 7.972 7.972 7.952 0.020 18536
388 1 9 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.332 -0.106 18536
389 1 9 . 1 1 14 14 GLY H H 14 8.579 8.579 8.487 0.092 18536
390 1 9 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.641 0.270 18536
391 1 9 . 1 1 15 15 CYS H H 15 7.677 7.677 7.733 -0.056 18536
392 1 9 . 1 1 16 16 THR HA H 16 4.464 4.464 4.692 -0.228 18536
393 1 9 . 1 1 16 16 THR H H 16 9.017 9.017 8.285 0.732 18536
394 1 9 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.233 0.355 18536
395 1 9 . 1 1 17 17 CYS H H 17 9.050 9.050 9.069 -0.019 18536
396 1 9 . 1 1 18 18 SER HA H 18 4.661 4.661 4.824 -0.163 18536
397 1 9 . 1 1 18 18 SER H H 18 8.938 8.938 8.498 0.440 18536
398 1 9 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.626 -0.519 18536
399 1 9 . 1 1 19 19 TRP H H 19 8.380 8.380 7.757 0.623 18536
400 1 9 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.708 0.658 18536
401 1 9 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.090 0.146 18536
402 1 9 . 1 1 21 21 VAL H H 21 8.226 8.226 7.392 0.834 18536
403 1 9 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.720 0.267 18536
404 1 9 . 1 1 22 22 CYS H H 22 7.975 7.975 8.163 -0.188 18536
405 1 9 . 1 1 23 23 GLY H H 23 8.748 8.748 8.816 -0.068 18536
406 1 9 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.462 0.309 18536
407 1 9 . 1 1 24 24 HIS H H 24 8.346 8.346 7.871 0.475 18536
408 1 9 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.863 -0.402 18536
409 1 9 . 1 1 25 25 PHE H H 25 8.411 8.411 7.996 0.415 18536
410 1 9 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.102 -0.223 18536
411 1 9 . 1 1 26 26 ARG H H 26 8.274 8.274 8.132 0.142 18536
412 1 9 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.589 0.088 18536
413 1 9 . 1 1 27 27 TRP H H 27 7.699 7.699 7.476 0.223 18536
414 1 9 . 1 1 28 28 GLY H H 28 7.922 7.922 8.683 -0.761 18536
415 1 10 . 1 1 2 2 GLY H H 2 8.196 8.196 8.325 -0.129 18536
416 1 10 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.828 -0.309 18536
417 1 10 . 1 1 3 3 GLU H H 3 7.892 7.892 7.800 0.092 18536
418 1 10 . 1 1 4 4 THR HA H 4 4.597 4.597 4.535 0.062 18536
419 1 10 . 1 1 4 4 THR H H 4 8.143 8.143 8.267 -0.124 18536
420 1 10 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.907 -0.155 18536
421 1 10 . 1 1 5 5 CYS H H 5 8.564 8.564 8.414 0.150 18536
422 1 10 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.634 0.328 18536
423 1 10 . 1 1 6 6 VAL H H 6 8.369 8.369 7.767 0.602 18536
424 1 10 . 1 1 7 7 GLY H H 7 8.803 8.803 8.356 0.447 18536
425 1 10 . 1 1 8 8 GLY H H 8 8.267 8.267 8.159 0.108 18536
426 1 10 . 1 1 9 9 THR HA H 9 4.624 4.624 4.497 0.127 18536
427 1 10 . 1 1 9 9 THR H H 9 7.680 7.680 7.760 -0.080 18536
428 1 10 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.655 0.090 18536
429 1 10 . 1 1 10 10 CYS H H 10 8.068 8.068 8.701 -0.633 18536
430 1 10 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.841 -0.251 18536
431 1 10 . 1 1 11 11 ASN H H 11 8.739 8.739 8.702 0.037 18536
432 1 10 . 1 1 12 12 THR HA H 12 4.531 4.531 4.766 -0.235 18536
433 1 10 . 1 1 12 12 THR H H 12 7.972 7.972 7.812 0.160 18536
434 1 10 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.314 -0.088 18536
435 1 10 . 1 1 14 14 GLY H H 14 8.579 8.579 8.478 0.101 18536
436 1 10 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.690 0.221 18536
437 1 10 . 1 1 15 15 CYS H H 15 7.677 7.677 7.730 -0.053 18536
438 1 10 . 1 1 16 16 THR HA H 16 4.464 4.464 4.694 -0.230 18536
439 1 10 . 1 1 16 16 THR H H 16 9.017 9.017 8.451 0.566 18536
440 1 10 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.527 0.061 18536
441 1 10 . 1 1 17 17 CYS H H 17 9.050 9.050 8.710 0.340 18536
442 1 10 . 1 1 18 18 SER HA H 18 4.661 4.661 4.795 -0.134 18536
443 1 10 . 1 1 18 18 SER H H 18 8.938 8.938 8.541 0.397 18536
444 1 10 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.554 -0.447 18536
445 1 10 . 1 1 19 19 TRP H H 19 8.380 8.380 7.811 0.569 18536
446 1 10 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.693 0.673 18536
447 1 10 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.050 0.186 18536
448 1 10 . 1 1 21 21 VAL H H 21 8.226 8.226 7.389 0.837 18536
449 1 10 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.772 0.215 18536
450 1 10 . 1 1 22 22 CYS H H 22 7.975 7.975 8.178 -0.203 18536
451 1 10 . 1 1 23 23 GLY H H 23 8.748 8.748 8.720 0.028 18536
452 1 10 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.547 0.224 18536
453 1 10 . 1 1 24 24 HIS H H 24 8.346 8.346 7.831 0.515 18536
454 1 10 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.769 -0.308 18536
455 1 10 . 1 1 25 25 PHE H H 25 8.411 8.411 8.070 0.341 18536
456 1 10 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.096 -0.217 18536
457 1 10 . 1 1 26 26 ARG H H 26 8.274 8.274 8.169 0.105 18536
458 1 10 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.628 0.049 18536
459 1 10 . 1 1 27 27 TRP H H 27 7.699 7.699 7.499 0.200 18536
460 1 10 . 1 1 28 28 GLY H H 28 7.922 7.922 8.573 -0.651 18536
461 1 11 . 1 1 2 2 GLY H H 2 8.196 8.196 8.383 -0.187 18536
462 1 11 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.823 -0.304 18536
463 1 11 . 1 1 3 3 GLU H H 3 7.892 7.892 7.722 0.170 18536
464 1 11 . 1 1 4 4 THR HA H 4 4.597 4.597 4.623 -0.026 18536
465 1 11 . 1 1 4 4 THR H H 4 8.143 8.143 8.346 -0.203 18536
466 1 11 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.959 -0.207 18536
467 1 11 . 1 1 5 5 CYS H H 5 8.564 8.564 8.396 0.168 18536
468 1 11 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.739 0.223 18536
469 1 11 . 1 1 6 6 VAL H H 6 8.369 8.369 8.182 0.187 18536
470 1 11 . 1 1 7 7 GLY H H 7 8.803 8.803 8.222 0.581 18536
471 1 11 . 1 1 8 8 GLY H H 8 8.267 8.267 8.148 0.119 18536
472 1 11 . 1 1 9 9 THR HA H 9 4.624 4.624 4.509 0.115 18536
473 1 11 . 1 1 9 9 THR H H 9 7.680 7.680 7.688 -0.008 18536
474 1 11 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.664 0.081 18536
475 1 11 . 1 1 10 10 CYS H H 10 8.068 8.068 8.843 -0.775 18536
476 1 11 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.749 -0.159 18536
477 1 11 . 1 1 11 11 ASN H H 11 8.739 8.739 8.486 0.253 18536
478 1 11 . 1 1 12 12 THR HA H 12 4.531 4.531 4.786 -0.255 18536
479 1 11 . 1 1 12 12 THR H H 12 7.972 7.972 7.854 0.118 18536
480 1 11 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.349 -0.123 18536
481 1 11 . 1 1 14 14 GLY H H 14 8.579 8.579 8.317 0.262 18536
482 1 11 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.814 0.097 18536
483 1 11 . 1 1 15 15 CYS H H 15 7.677 7.677 7.956 -0.279 18536
484 1 11 . 1 1 16 16 THR HA H 16 4.464 4.464 4.750 -0.286 18536
485 1 11 . 1 1 16 16 THR H H 16 9.017 9.017 8.280 0.737 18536
486 1 11 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.706 -0.118 18536
487 1 11 . 1 1 17 17 CYS H H 17 9.050 9.050 8.625 0.425 18536
488 1 11 . 1 1 18 18 SER HA H 18 4.661 4.661 4.818 -0.157 18536
489 1 11 . 1 1 18 18 SER H H 18 8.938 8.938 8.475 0.463 18536
490 1 11 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.539 -0.432 18536
491 1 11 . 1 1 19 19 TRP H H 19 8.380 8.380 7.743 0.637 18536
492 1 11 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.697 0.669 18536
493 1 11 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.871 0.365 18536
494 1 11 . 1 1 21 21 VAL H H 21 8.226 8.226 7.552 0.674 18536
495 1 11 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.894 0.093 18536
496 1 11 . 1 1 22 22 CYS H H 22 7.975 7.975 8.140 -0.165 18536
497 1 11 . 1 1 23 23 GLY H H 23 8.748 8.748 8.823 -0.075 18536
498 1 11 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.116 -0.345 18536
499 1 11 . 1 1 24 24 HIS H H 24 8.346 8.346 7.827 0.519 18536
500 1 11 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.700 -0.239 18536
501 1 11 . 1 1 25 25 PHE H H 25 8.411 8.411 8.892 -0.481 18536
502 1 11 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.073 -0.194 18536
503 1 11 . 1 1 26 26 ARG H H 26 8.274 8.274 8.332 -0.057 18536
504 1 11 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.670 0.007 18536
505 1 11 . 1 1 27 27 TRP H H 27 7.699 7.699 7.544 0.155 18536
506 1 11 . 1 1 28 28 GLY H H 28 7.922 7.922 8.623 -0.701 18536
507 1 12 . 1 1 2 2 GLY H H 2 8.196 8.196 8.419 -0.223 18536
508 1 12 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.809 -0.290 18536
509 1 12 . 1 1 3 3 GLU H H 3 7.892 7.892 7.961 -0.069 18536
510 1 12 . 1 1 4 4 THR HA H 4 4.597 4.597 4.743 -0.146 18536
511 1 12 . 1 1 4 4 THR H H 4 8.143 8.143 8.260 -0.117 18536
512 1 12 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.957 -0.205 18536
513 1 12 . 1 1 5 5 CYS H H 5 8.564 8.564 8.467 0.097 18536
514 1 12 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.761 0.201 18536
515 1 12 . 1 1 6 6 VAL H H 6 8.369 8.369 8.511 -0.142 18536
516 1 12 . 1 1 7 7 GLY H H 7 8.803 8.803 8.065 0.738 18536
517 1 12 . 1 1 8 8 GLY H H 8 8.267 8.267 7.993 0.274 18536
518 1 12 . 1 1 9 9 THR HA H 9 4.624 4.624 4.556 0.068 18536
519 1 12 . 1 1 9 9 THR H H 9 7.680 7.680 7.880 -0.200 18536
520 1 12 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.615 0.130 18536
521 1 12 . 1 1 10 10 CYS H H 10 8.068 8.068 8.652 -0.584 18536
522 1 12 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.902 -0.312 18536
523 1 12 . 1 1 11 11 ASN H H 11 8.739 8.739 8.766 -0.027 18536
524 1 12 . 1 1 12 12 THR HA H 12 4.531 4.531 4.759 -0.228 18536
525 1 12 . 1 1 12 12 THR H H 12 7.972 7.972 7.751 0.221 18536
526 1 12 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.358 -0.132 18536
527 1 12 . 1 1 14 14 GLY H H 14 8.579 8.579 8.486 0.093 18536
528 1 12 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.631 0.280 18536
529 1 12 . 1 1 15 15 CYS H H 15 7.677 7.677 7.753 -0.076 18536
530 1 12 . 1 1 16 16 THR HA H 16 4.464 4.464 4.776 -0.312 18536
531 1 12 . 1 1 16 16 THR H H 16 9.017 9.017 8.344 0.673 18536
532 1 12 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.657 -0.069 18536
533 1 12 . 1 1 17 17 CYS H H 17 9.050 9.050 8.304 0.746 18536
534 1 12 . 1 1 18 18 SER HA H 18 4.661 4.661 4.793 -0.132 18536
535 1 12 . 1 1 18 18 SER H H 18 8.938 8.938 8.565 0.373 18536
536 1 12 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.554 -0.447 18536
537 1 12 . 1 1 19 19 TRP H H 19 8.380 8.380 8.049 0.331 18536
538 1 12 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.761 0.605 18536
539 1 12 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.085 0.151 18536
540 1 12 . 1 1 21 21 VAL H H 21 8.226 8.226 7.465 0.761 18536
541 1 12 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.860 0.127 18536
542 1 12 . 1 1 22 22 CYS H H 22 7.975 7.975 8.129 -0.154 18536
543 1 12 . 1 1 23 23 GLY H H 23 8.748 8.748 8.885 -0.137 18536
544 1 12 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.216 -0.445 18536
545 1 12 . 1 1 24 24 HIS H H 24 8.346 8.346 8.102 0.244 18536
546 1 12 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.659 -0.198 18536
547 1 12 . 1 1 25 25 PHE H H 25 8.411 8.411 8.884 -0.473 18536
548 1 12 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.069 -0.190 18536
549 1 12 . 1 1 26 26 ARG H H 26 8.274 8.274 8.291 -0.017 18536
550 1 12 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.654 0.023 18536
551 1 12 . 1 1 27 27 TRP H H 27 7.699 7.699 7.559 0.140 18536
552 1 12 . 1 1 28 28 GLY H H 28 7.922 7.922 8.598 -0.676 18536
553 1 13 . 1 1 2 2 GLY H H 2 8.196 8.196 8.316 -0.120 18536
554 1 13 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.785 -0.266 18536
555 1 13 . 1 1 3 3 GLU H H 3 7.892 7.892 7.846 0.046 18536
556 1 13 . 1 1 4 4 THR HA H 4 4.597 4.597 4.632 -0.035 18536
557 1 13 . 1 1 4 4 THR H H 4 8.143 8.143 8.417 -0.274 18536
558 1 13 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.899 -0.147 18536
559 1 13 . 1 1 5 5 CYS H H 5 8.564 8.564 8.408 0.156 18536
560 1 13 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.760 0.202 18536
561 1 13 . 1 1 6 6 VAL H H 6 8.369 8.369 8.242 0.127 18536
562 1 13 . 1 1 7 7 GLY H H 7 8.803 8.803 8.271 0.532 18536
563 1 13 . 1 1 8 8 GLY H H 8 8.267 8.267 8.115 0.152 18536
564 1 13 . 1 1 9 9 THR HA H 9 4.624 4.624 4.573 0.051 18536
565 1 13 . 1 1 9 9 THR H H 9 7.680 7.680 7.643 0.037 18536
566 1 13 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.697 0.048 18536
567 1 13 . 1 1 10 10 CYS H H 10 8.068 8.068 8.817 -0.749 18536
568 1 13 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.703 -0.113 18536
569 1 13 . 1 1 11 11 ASN H H 11 8.739 8.739 8.573 0.166 18536
570 1 13 . 1 1 12 12 THR HA H 12 4.531 4.531 4.729 -0.198 18536
571 1 13 . 1 1 12 12 THR H H 12 7.972 7.972 7.843 0.129 18536
572 1 13 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.315 -0.089 18536
573 1 13 . 1 1 14 14 GLY H H 14 8.579 8.579 8.476 0.103 18536
574 1 13 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.737 0.174 18536
575 1 13 . 1 1 15 15 CYS H H 15 7.677 7.677 7.826 -0.149 18536
576 1 13 . 1 1 16 16 THR HA H 16 4.464 4.464 4.649 -0.185 18536
577 1 13 . 1 1 16 16 THR H H 16 9.017 9.017 8.439 0.578 18536
578 1 13 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.523 0.065 18536
579 1 13 . 1 1 17 17 CYS H H 17 9.050 9.050 8.345 0.705 18536
580 1 13 . 1 1 18 18 SER HA H 18 4.661 4.661 4.789 -0.128 18536
581 1 13 . 1 1 18 18 SER H H 18 8.938 8.938 8.508 0.430 18536
582 1 13 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.482 -0.375 18536
583 1 13 . 1 1 19 19 TRP H H 19 8.380 8.380 7.760 0.620 18536
584 1 13 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.705 0.661 18536
585 1 13 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.883 0.353 18536
586 1 13 . 1 1 21 21 VAL H H 21 8.226 8.226 7.535 0.691 18536
587 1 13 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.859 0.128 18536
588 1 13 . 1 1 22 22 CYS H H 22 7.975 7.975 8.166 -0.191 18536
589 1 13 . 1 1 23 23 GLY H H 23 8.748 8.748 8.832 -0.084 18536
590 1 13 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.063 -0.292 18536
591 1 13 . 1 1 24 24 HIS H H 24 8.346 8.346 7.831 0.515 18536
592 1 13 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.600 -0.139 18536
593 1 13 . 1 1 25 25 PHE H H 25 8.411 8.411 8.802 -0.391 18536
594 1 13 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.134 -0.255 18536
595 1 13 . 1 1 26 26 ARG H H 26 8.274 8.274 8.279 -0.005 18536
596 1 13 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.571 0.106 18536
597 1 13 . 1 1 27 27 TRP H H 27 7.699 7.699 7.428 0.271 18536
598 1 13 . 1 1 28 28 GLY H H 28 7.922 7.922 8.781 -0.859 18536
599 1 14 . 1 1 2 2 GLY H H 2 8.196 8.196 8.565 -0.369 18536
600 1 14 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.691 -0.172 18536
601 1 14 . 1 1 3 3 GLU H H 3 7.892 7.892 7.791 0.101 18536
602 1 14 . 1 1 4 4 THR HA H 4 4.597 4.597 4.452 0.145 18536
603 1 14 . 1 1 4 4 THR H H 4 8.143 8.143 8.250 -0.107 18536
604 1 14 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.686 0.066 18536
605 1 14 . 1 1 5 5 CYS H H 5 8.564 8.564 8.693 -0.129 18536
606 1 14 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.559 0.403 18536
607 1 14 . 1 1 6 6 VAL H H 6 8.369 8.369 7.545 0.824 18536
608 1 14 . 1 1 7 7 GLY H H 7 8.803 8.803 8.193 0.610 18536
609 1 14 . 1 1 8 8 GLY H H 8 8.267 8.267 8.042 0.225 18536
610 1 14 . 1 1 9 9 THR HA H 9 4.624 4.624 4.544 0.080 18536
611 1 14 . 1 1 9 9 THR H H 9 7.680 7.680 7.893 -0.213 18536
612 1 14 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.776 -0.031 18536
613 1 14 . 1 1 10 10 CYS H H 10 8.068 8.068 8.231 -0.163 18536
614 1 14 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.667 -0.077 18536
615 1 14 . 1 1 11 11 ASN H H 11 8.739 8.739 8.215 0.524 18536
616 1 14 . 1 1 12 12 THR HA H 12 4.531 4.531 4.781 -0.250 18536
617 1 14 . 1 1 12 12 THR H H 12 7.972 7.972 7.948 0.024 18536
618 1 14 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.347 -0.121 18536
619 1 14 . 1 1 14 14 GLY H H 14 8.579 8.579 8.487 0.092 18536
620 1 14 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.773 0.138 18536
621 1 14 . 1 1 15 15 CYS H H 15 7.677 7.677 7.852 -0.175 18536
622 1 14 . 1 1 16 16 THR HA H 16 4.464 4.464 4.673 -0.209 18536
623 1 14 . 1 1 16 16 THR H H 16 9.017 9.017 8.104 0.913 18536
624 1 14 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.723 -0.135 18536
625 1 14 . 1 1 17 17 CYS H H 17 9.050 9.050 8.793 0.257 18536
626 1 14 . 1 1 18 18 SER HA H 18 4.661 4.661 4.717 -0.056 18536
627 1 14 . 1 1 18 18 SER H H 18 8.938 8.938 8.427 0.511 18536
628 1 14 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.533 -0.426 18536
629 1 14 . 1 1 19 19 TRP H H 19 8.380 8.380 8.007 0.373 18536
630 1 14 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.746 0.620 18536
631 1 14 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.101 0.135 18536
632 1 14 . 1 1 21 21 VAL H H 21 8.226 8.226 7.560 0.666 18536
633 1 14 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.723 0.264 18536
634 1 14 . 1 1 22 22 CYS H H 22 7.975 7.975 8.080 -0.105 18536
635 1 14 . 1 1 23 23 GLY H H 23 8.748 8.748 8.796 -0.048 18536
636 1 14 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.972 -0.201 18536
637 1 14 . 1 1 24 24 HIS H H 24 8.346 8.346 8.135 0.211 18536
638 1 14 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.578 -0.117 18536
639 1 14 . 1 1 25 25 PHE H H 25 8.411 8.411 8.760 -0.349 18536
640 1 14 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.098 -0.219 18536
641 1 14 . 1 1 26 26 ARG H H 26 8.274 8.274 8.279 -0.005 18536
642 1 14 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.542 0.135 18536
643 1 14 . 1 1 27 27 TRP H H 27 7.699 7.699 7.538 0.161 18536
644 1 14 . 1 1 28 28 GLY H H 28 7.922 7.922 8.705 -0.783 18536
645 1 15 . 1 1 2 2 GLY H H 2 8.196 8.196 8.354 -0.158 18536
646 1 15 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.847 -0.328 18536
647 1 15 . 1 1 3 3 GLU H H 3 7.892 7.892 8.009 -0.117 18536
648 1 15 . 1 1 4 4 THR HA H 4 4.597 4.597 4.616 -0.019 18536
649 1 15 . 1 1 4 4 THR H H 4 8.143 8.143 8.490 -0.347 18536
650 1 15 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.947 -0.195 18536
651 1 15 . 1 1 5 5 CYS H H 5 8.564 8.564 8.301 0.263 18536
652 1 15 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.766 0.196 18536
653 1 15 . 1 1 6 6 VAL H H 6 8.369 8.369 8.073 0.296 18536
654 1 15 . 1 1 7 7 GLY H H 7 8.803 8.803 8.243 0.560 18536
655 1 15 . 1 1 8 8 GLY H H 8 8.267 8.267 8.026 0.241 18536
656 1 15 . 1 1 9 9 THR HA H 9 4.624 4.624 4.527 0.097 18536
657 1 15 . 1 1 9 9 THR H H 9 7.680 7.680 7.842 -0.162 18536
658 1 15 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.653 0.092 18536
659 1 15 . 1 1 10 10 CYS H H 10 8.068 8.068 8.681 -0.613 18536
660 1 15 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.736 -0.146 18536
661 1 15 . 1 1 11 11 ASN H H 11 8.739 8.739 8.562 0.177 18536
662 1 15 . 1 1 12 12 THR HA H 12 4.531 4.531 4.714 -0.183 18536
663 1 15 . 1 1 12 12 THR H H 12 7.972 7.972 7.845 0.127 18536
664 1 15 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.318 -0.092 18536
665 1 15 . 1 1 14 14 GLY H H 14 8.579 8.579 8.474 0.105 18536
666 1 15 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.724 0.187 18536
667 1 15 . 1 1 15 15 CYS H H 15 7.677 7.677 7.834 -0.157 18536
668 1 15 . 1 1 16 16 THR HA H 16 4.464 4.464 4.668 -0.204 18536
669 1 15 . 1 1 16 16 THR H H 16 9.017 9.017 8.504 0.513 18536
670 1 15 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.468 0.120 18536
671 1 15 . 1 1 17 17 CYS H H 17 9.050 9.050 8.419 0.631 18536
672 1 15 . 1 1 18 18 SER HA H 18 4.661 4.661 4.751 -0.090 18536
673 1 15 . 1 1 18 18 SER H H 18 8.938 8.938 8.583 0.355 18536
674 1 15 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.526 -0.419 18536
675 1 15 . 1 1 19 19 TRP H H 19 8.380 8.380 7.796 0.584 18536
676 1 15 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.689 0.677 18536
677 1 15 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.855 0.381 18536
678 1 15 . 1 1 21 21 VAL H H 21 8.226 8.226 7.470 0.756 18536
679 1 15 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.818 0.169 18536
680 1 15 . 1 1 22 22 CYS H H 22 7.975 7.975 8.187 -0.212 18536
681 1 15 . 1 1 23 23 GLY H H 23 8.748 8.748 8.757 -0.009 18536
682 1 15 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.227 -0.456 18536
683 1 15 . 1 1 24 24 HIS H H 24 8.346 8.346 7.971 0.375 18536
684 1 15 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.594 -0.133 18536
685 1 15 . 1 1 25 25 PHE H H 25 8.411 8.411 8.853 -0.442 18536
686 1 15 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.094 -0.215 18536
687 1 15 . 1 1 26 26 ARG H H 26 8.274 8.274 8.311 -0.037 18536
688 1 15 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.554 0.123 18536
689 1 15 . 1 1 27 27 TRP H H 27 7.699 7.699 7.538 0.161 18536
690 1 15 . 1 1 28 28 GLY H H 28 7.922 7.922 8.714 -0.792 18536
691 1 16 . 1 1 2 2 GLY H H 2 8.196 8.196 8.251 -0.055 18536
692 1 16 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.818 -0.299 18536
693 1 16 . 1 1 3 3 GLU H H 3 7.892 7.892 7.842 0.050 18536
694 1 16 . 1 1 4 4 THR HA H 4 4.597 4.597 4.580 0.017 18536
695 1 16 . 1 1 4 4 THR H H 4 8.143 8.143 8.259 -0.116 18536
696 1 16 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.922 -0.170 18536
697 1 16 . 1 1 5 5 CYS H H 5 8.564 8.564 8.451 0.113 18536
698 1 16 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.603 0.359 18536
699 1 16 . 1 1 6 6 VAL H H 6 8.369 8.369 7.612 0.757 18536
700 1 16 . 1 1 7 7 GLY H H 7 8.803 8.803 8.285 0.518 18536
701 1 16 . 1 1 8 8 GLY H H 8 8.267 8.267 8.182 0.085 18536
702 1 16 . 1 1 9 9 THR HA H 9 4.624 4.624 4.549 0.075 18536
703 1 16 . 1 1 9 9 THR H H 9 7.680 7.680 7.681 -0.001 18536
704 1 16 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.668 0.077 18536
705 1 16 . 1 1 10 10 CYS H H 10 8.068 8.068 8.565 -0.497 18536
706 1 16 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.641 -0.051 18536
707 1 16 . 1 1 11 11 ASN H H 11 8.739 8.739 8.267 0.472 18536
708 1 16 . 1 1 12 12 THR HA H 12 4.531 4.531 4.779 -0.248 18536
709 1 16 . 1 1 12 12 THR H H 12 7.972 7.972 8.106 -0.134 18536
710 1 16 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.348 -0.122 18536
711 1 16 . 1 1 14 14 GLY H H 14 8.579 8.579 8.444 0.135 18536
712 1 16 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.567 0.344 18536
713 1 16 . 1 1 15 15 CYS H H 15 7.677 7.677 7.803 -0.126 18536
714 1 16 . 1 1 16 16 THR HA H 16 4.464 4.464 4.694 -0.230 18536
715 1 16 . 1 1 16 16 THR H H 16 9.017 9.017 8.419 0.598 18536
716 1 16 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.503 0.085 18536
717 1 16 . 1 1 17 17 CYS H H 17 9.050 9.050 8.354 0.696 18536
718 1 16 . 1 1 18 18 SER HA H 18 4.661 4.661 4.850 -0.189 18536
719 1 16 . 1 1 18 18 SER H H 18 8.938 8.938 8.561 0.377 18536
720 1 16 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.601 -0.494 18536
721 1 16 . 1 1 19 19 TRP H H 19 8.380 8.380 7.657 0.723 18536
722 1 16 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.721 0.645 18536
723 1 16 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.122 0.114 18536
724 1 16 . 1 1 21 21 VAL H H 21 8.226 8.226 7.436 0.789 18536
725 1 16 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.881 0.106 18536
726 1 16 . 1 1 22 22 CYS H H 22 7.975 7.975 8.259 -0.284 18536
727 1 16 . 1 1 23 23 GLY H H 23 8.748 8.748 8.880 -0.132 18536
728 1 16 . 1 1 24 24 HIS HA H 24 4.771 4.771 5.216 -0.445 18536
729 1 16 . 1 1 24 24 HIS H H 24 8.346 8.346 8.073 0.273 18536
730 1 16 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.749 -0.288 18536
731 1 16 . 1 1 25 25 PHE H H 25 8.411 8.411 8.932 -0.521 18536
732 1 16 . 1 1 26 26 ARG HA H 26 3.879 3.879 3.883 -0.004 18536
733 1 16 . 1 1 26 26 ARG H H 26 8.274 8.274 8.474 -0.200 18536
734 1 16 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.563 0.114 18536
735 1 16 . 1 1 27 27 TRP H H 27 7.699 7.699 7.884 -0.185 18536
736 1 16 . 1 1 28 28 GLY H H 28 7.922 7.922 8.496 -0.574 18536
737 1 17 . 1 1 2 2 GLY H H 2 8.196 8.196 8.328 -0.132 18536
738 1 17 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.782 -0.263 18536
739 1 17 . 1 1 3 3 GLU H H 3 7.892 7.892 7.794 0.098 18536
740 1 17 . 1 1 4 4 THR HA H 4 4.597 4.597 4.459 0.138 18536
741 1 17 . 1 1 4 4 THR H H 4 8.143 8.143 8.214 -0.071 18536
742 1 17 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.793 -0.041 18536
743 1 17 . 1 1 5 5 CYS H H 5 8.564 8.564 8.618 -0.054 18536
744 1 17 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.421 0.541 18536
745 1 17 . 1 1 6 6 VAL H H 6 8.369 8.369 8.073 0.296 18536
746 1 17 . 1 1 7 7 GLY H H 7 8.803 8.803 8.082 0.721 18536
747 1 17 . 1 1 8 8 GLY H H 8 8.267 8.267 8.287 -0.020 18536
748 1 17 . 1 1 9 9 THR HA H 9 4.624 4.624 4.549 0.075 18536
749 1 17 . 1 1 9 9 THR H H 9 7.680 7.680 7.927 -0.247 18536
750 1 17 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.613 0.132 18536
751 1 17 . 1 1 10 10 CYS H H 10 8.068 8.068 8.414 -0.346 18536
752 1 17 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.886 -0.296 18536
753 1 17 . 1 1 11 11 ASN H H 11 8.739 8.739 8.423 0.316 18536
754 1 17 . 1 1 12 12 THR HA H 12 4.531 4.531 4.727 -0.196 18536
755 1 17 . 1 1 12 12 THR H H 12 7.972 7.972 8.197 -0.225 18536
756 1 17 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.389 -0.163 18536
757 1 17 . 1 1 14 14 GLY H H 14 8.579 8.579 8.605 -0.026 18536
758 1 17 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.784 0.127 18536
759 1 17 . 1 1 15 15 CYS H H 15 7.677 7.677 7.896 -0.219 18536
760 1 17 . 1 1 16 16 THR HA H 16 4.464 4.464 4.568 -0.104 18536
761 1 17 . 1 1 16 16 THR H H 16 9.017 9.017 7.931 1.086 18536
762 1 17 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.652 -0.064 18536
763 1 17 . 1 1 17 17 CYS H H 17 9.050 9.050 8.254 0.796 18536
764 1 17 . 1 1 18 18 SER HA H 18 4.661 4.661 4.812 -0.151 18536
765 1 17 . 1 1 18 18 SER H H 18 8.938 8.938 8.544 0.394 18536
766 1 17 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.532 -0.425 18536
767 1 17 . 1 1 19 19 TRP H H 19 8.380 8.380 7.615 0.765 18536
768 1 17 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.768 0.598 18536
769 1 17 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.864 0.372 18536
770 1 17 . 1 1 21 21 VAL H H 21 8.226 8.226 7.393 0.833 18536
771 1 17 . 1 1 22 22 CYS HA H 22 4.987 4.987 5.097 -0.110 18536
772 1 17 . 1 1 22 22 CYS H H 22 7.975 7.975 8.066 -0.091 18536
773 1 17 . 1 1 23 23 GLY H H 23 8.748 8.748 8.771 -0.023 18536
774 1 17 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.429 0.342 18536
775 1 17 . 1 1 24 24 HIS H H 24 8.346 8.346 8.066 0.280 18536
776 1 17 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.749 -0.288 18536
777 1 17 . 1 1 25 25 PHE H H 25 8.411 8.411 8.040 0.371 18536
778 1 17 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.102 -0.223 18536
779 1 17 . 1 1 26 26 ARG H H 26 8.274 8.274 8.110 0.164 18536
780 1 17 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.628 0.049 18536
781 1 17 . 1 1 27 27 TRP H H 27 7.699 7.699 7.501 0.198 18536
782 1 17 . 1 1 28 28 GLY H H 28 7.922 7.922 8.562 -0.640 18536
783 1 18 . 1 1 2 2 GLY H H 2 8.196 8.196 8.403 -0.207 18536
784 1 18 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.596 -0.077 18536
785 1 18 . 1 1 3 3 GLU H H 3 7.892 7.892 8.189 -0.297 18536
786 1 18 . 1 1 4 4 THR HA H 4 4.597 4.597 4.467 0.130 18536
787 1 18 . 1 1 4 4 THR H H 4 8.143 8.143 8.179 -0.036 18536
788 1 18 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.882 -0.130 18536
789 1 18 . 1 1 5 5 CYS H H 5 8.564 8.564 8.680 -0.116 18536
790 1 18 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.490 0.472 18536
791 1 18 . 1 1 6 6 VAL H H 6 8.369 8.369 7.468 0.901 18536
792 1 18 . 1 1 7 7 GLY H H 7 8.803 8.803 8.365 0.438 18536
793 1 18 . 1 1 8 8 GLY H H 8 8.267 8.267 7.979 0.288 18536
794 1 18 . 1 1 9 9 THR HA H 9 4.624 4.624 4.593 0.031 18536
795 1 18 . 1 1 9 9 THR H H 9 7.680 7.680 7.773 -0.093 18536
796 1 18 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.803 -0.058 18536
797 1 18 . 1 1 10 10 CYS H H 10 8.068 8.068 8.622 -0.554 18536
798 1 18 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.489 0.101 18536
799 1 18 . 1 1 11 11 ASN H H 11 8.739 8.739 8.330 0.409 18536
800 1 18 . 1 1 12 12 THR HA H 12 4.531 4.531 4.748 -0.217 18536
801 1 18 . 1 1 12 12 THR H H 12 7.972 7.972 7.942 0.030 18536
802 1 18 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.335 -0.109 18536
803 1 18 . 1 1 14 14 GLY H H 14 8.579 8.579 8.522 0.057 18536
804 1 18 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.667 0.244 18536
805 1 18 . 1 1 15 15 CYS H H 15 7.677 7.677 7.880 -0.203 18536
806 1 18 . 1 1 16 16 THR HA H 16 4.464 4.464 4.625 -0.161 18536
807 1 18 . 1 1 16 16 THR H H 16 9.017 9.017 8.231 0.786 18536
808 1 18 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.716 -0.128 18536
809 1 18 . 1 1 17 17 CYS H H 17 9.050 9.050 8.376 0.674 18536
810 1 18 . 1 1 18 18 SER HA H 18 4.661 4.661 4.735 -0.074 18536
811 1 18 . 1 1 18 18 SER H H 18 8.938 8.938 8.554 0.384 18536
812 1 18 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.523 -0.416 18536
813 1 18 . 1 1 19 19 TRP H H 19 8.380 8.380 7.716 0.664 18536
814 1 18 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.624 0.742 18536
815 1 18 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.940 0.296 18536
816 1 18 . 1 1 21 21 VAL H H 21 8.226 8.226 7.469 0.757 18536
817 1 18 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.810 0.177 18536
818 1 18 . 1 1 22 22 CYS H H 22 7.975 7.975 8.120 -0.145 18536
819 1 18 . 1 1 23 23 GLY H H 23 8.748 8.748 8.898 -0.150 18536
820 1 18 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.990 -0.219 18536
821 1 18 . 1 1 24 24 HIS H H 24 8.346 8.346 8.184 0.162 18536
822 1 18 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.578 -0.117 18536
823 1 18 . 1 1 25 25 PHE H H 25 8.411 8.411 8.774 -0.363 18536
824 1 18 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.095 -0.216 18536
825 1 18 . 1 1 26 26 ARG H H 26 8.274 8.274 8.223 0.051 18536
826 1 18 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.595 0.082 18536
827 1 18 . 1 1 27 27 TRP H H 27 7.699 7.699 7.531 0.168 18536
828 1 18 . 1 1 28 28 GLY H H 28 7.922 7.922 8.677 -0.755 18536
829 1 19 . 1 1 2 2 GLY H H 2 8.196 8.196 8.052 0.144 18536
830 1 19 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.810 -0.291 18536
831 1 19 . 1 1 3 3 GLU H H 3 7.892 7.892 7.815 0.077 18536
832 1 19 . 1 1 4 4 THR HA H 4 4.597 4.597 4.582 0.015 18536
833 1 19 . 1 1 4 4 THR H H 4 8.143 8.143 8.299 -0.156 18536
834 1 19 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.935 -0.183 18536
835 1 19 . 1 1 5 5 CYS H H 5 8.564 8.564 8.462 0.102 18536
836 1 19 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.702 0.260 18536
837 1 19 . 1 1 6 6 VAL H H 6 8.369 8.369 7.811 0.558 18536
838 1 19 . 1 1 7 7 GLY H H 7 8.803 8.803 8.263 0.540 18536
839 1 19 . 1 1 8 8 GLY H H 8 8.267 8.267 8.122 0.145 18536
840 1 19 . 1 1 9 9 THR HA H 9 4.624 4.624 4.523 0.101 18536
841 1 19 . 1 1 9 9 THR H H 9 7.680 7.680 7.697 -0.017 18536
842 1 19 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.657 0.088 18536
843 1 19 . 1 1 10 10 CYS H H 10 8.068 8.068 8.755 -0.687 18536
844 1 19 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.767 -0.177 18536
845 1 19 . 1 1 11 11 ASN H H 11 8.739 8.739 8.698 0.041 18536
846 1 19 . 1 1 12 12 THR HA H 12 4.531 4.531 4.781 -0.250 18536
847 1 19 . 1 1 12 12 THR H H 12 7.972 7.972 8.077 -0.105 18536
848 1 19 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.347 -0.121 18536
849 1 19 . 1 1 14 14 GLY H H 14 8.579 8.579 8.452 0.127 18536
850 1 19 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.499 0.412 18536
851 1 19 . 1 1 15 15 CYS H H 15 7.677 7.677 7.921 -0.244 18536
852 1 19 . 1 1 16 16 THR HA H 16 4.464 4.464 4.594 -0.130 18536
853 1 19 . 1 1 16 16 THR H H 16 9.017 9.017 7.951 1.066 18536
854 1 19 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.154 0.434 18536
855 1 19 . 1 1 17 17 CYS H H 17 9.050 9.050 8.925 0.125 18536
856 1 19 . 1 1 18 18 SER HA H 18 4.661 4.661 4.753 -0.092 18536
857 1 19 . 1 1 18 18 SER H H 18 8.938 8.938 8.486 0.452 18536
858 1 19 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.521 -0.414 18536
859 1 19 . 1 1 19 19 TRP H H 19 8.380 8.380 7.884 0.496 18536
860 1 19 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.702 0.664 18536
861 1 19 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.103 0.133 18536
862 1 19 . 1 1 21 21 VAL H H 21 8.226 8.226 7.497 0.729 18536
863 1 19 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.734 0.253 18536
864 1 19 . 1 1 22 22 CYS H H 22 7.975 7.975 8.182 -0.207 18536
865 1 19 . 1 1 23 23 GLY H H 23 8.748 8.748 8.791 -0.043 18536
866 1 19 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.407 0.364 18536
867 1 19 . 1 1 24 24 HIS H H 24 8.346 8.346 7.842 0.504 18536
868 1 19 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.719 -0.258 18536
869 1 19 . 1 1 25 25 PHE H H 25 8.411 8.411 8.021 0.390 18536
870 1 19 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.092 -0.213 18536
871 1 19 . 1 1 26 26 ARG H H 26 8.274 8.274 8.278 -0.004 18536
872 1 19 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.636 0.041 18536
873 1 19 . 1 1 27 27 TRP H H 27 7.699 7.699 7.499 0.200 18536
874 1 19 . 1 1 28 28 GLY H H 28 7.922 7.922 8.671 -0.749 18536
875 1 20 . 1 1 2 2 GLY H H 2 8.196 8.196 8.432 -0.236 18536
876 1 20 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.771 -0.252 18536
877 1 20 . 1 1 3 3 GLU H H 3 7.892 7.892 7.769 0.123 18536
878 1 20 . 1 1 4 4 THR HA H 4 4.597 4.597 4.572 0.025 18536
879 1 20 . 1 1 4 4 THR H H 4 8.143 8.143 8.294 -0.151 18536
880 1 20 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.969 -0.217 18536
881 1 20 . 1 1 5 5 CYS H H 5 8.564 8.564 8.476 0.088 18536
882 1 20 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.606 0.356 18536
883 1 20 . 1 1 6 6 VAL H H 6 8.369 8.369 7.856 0.513 18536
884 1 20 . 1 1 7 7 GLY H H 7 8.803 8.803 8.401 0.402 18536
885 1 20 . 1 1 8 8 GLY H H 8 8.267 8.267 8.088 0.179 18536
886 1 20 . 1 1 9 9 THR HA H 9 4.624 4.624 4.543 0.081 18536
887 1 20 . 1 1 9 9 THR H H 9 7.680 7.680 7.672 0.008 18536
888 1 20 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.589 0.156 18536
889 1 20 . 1 1 10 10 CYS H H 10 8.068 8.068 8.621 -0.553 18536
890 1 20 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.634 -0.044 18536
891 1 20 . 1 1 11 11 ASN H H 11 8.739 8.739 8.434 0.305 18536
892 1 20 . 1 1 12 12 THR HA H 12 4.531 4.531 4.754 -0.223 18536
893 1 20 . 1 1 12 12 THR H H 12 7.972 7.972 7.984 -0.012 18536
894 1 20 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.318 -0.092 18536
895 1 20 . 1 1 14 14 GLY H H 14 8.579 8.579 8.455 0.124 18536
896 1 20 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.702 0.209 18536
897 1 20 . 1 1 15 15 CYS H H 15 7.677 7.677 7.851 -0.174 18536
898 1 20 . 1 1 16 16 THR HA H 16 4.464 4.464 4.607 -0.143 18536
899 1 20 . 1 1 16 16 THR H H 16 9.017 9.017 8.315 0.702 18536
900 1 20 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.375 0.213 18536
901 1 20 . 1 1 17 17 CYS H H 17 9.050 9.050 8.413 0.637 18536
902 1 20 . 1 1 18 18 SER HA H 18 4.661 4.661 4.839 -0.178 18536
903 1 20 . 1 1 18 18 SER H H 18 8.938 8.938 8.540 0.398 18536
904 1 20 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.549 -0.442 18536
905 1 20 . 1 1 19 19 TRP H H 19 8.380 8.380 7.703 0.677 18536
906 1 20 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.667 0.699 18536
907 1 20 . 1 1 21 21 VAL HA H 21 4.236 4.236 4.119 0.117 18536
908 1 20 . 1 1 21 21 VAL H H 21 8.226 8.226 7.434 0.792 18536
909 1 20 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.822 0.165 18536
910 1 20 . 1 1 22 22 CYS H H 22 7.975 7.975 8.246 -0.271 18536
911 1 20 . 1 1 23 23 GLY H H 23 8.748 8.748 8.845 -0.097 18536
912 1 20 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.515 0.256 18536
913 1 20 . 1 1 24 24 HIS H H 24 8.346 8.346 7.818 0.528 18536
914 1 20 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.755 -0.294 18536
915 1 20 . 1 1 25 25 PHE H H 25 8.411 8.411 8.038 0.373 18536
916 1 20 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.138 -0.259 18536
917 1 20 . 1 1 26 26 ARG H H 26 8.274 8.274 8.148 0.126 18536
918 1 20 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.628 0.049 18536
919 1 20 . 1 1 27 27 TRP H H 27 7.699 7.699 7.499 0.200 18536
920 1 20 . 1 1 28 28 GLY H H 28 7.922 7.922 8.630 -0.708 18536
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 18536
2 1 1 "Average Difference" HA 33 0.258 -0.024 0.261 18536
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18536
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18536
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18536
6 1 1 "Average Difference" HN 25 0.399 -0.089 0.397 18536
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18536
8 1 2 "Average Difference" HA 33 0.258 -0.062 0.254 18536
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18536
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18536
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18536
12 1 2 "Average Difference" HN 25 0.432 -0.109 0.427 18536
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18536
14 1 3 "Average Difference" HA 33 0.258 -0.047 0.258 18536
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18536
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18536
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18536
18 1 3 "Average Difference" HN 25 0.418 -0.112 0.411 18536
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18536
20 1 4 "Average Difference" HA 33 0.261 -0.000 0.265 18536
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18536
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18536
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18536
24 1 4 "Average Difference" HN 25 0.368 -0.071 0.369 18536
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18536
26 1 5 "Average Difference" HA 33 0.234 -0.025 0.236 18536
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18536
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18536
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18536
30 1 5 "Average Difference" HN 25 0.379 -0.083 0.378 18536
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18536
32 1 6 "Average Difference" HA 33 0.241 -0.061 0.236 18536
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18536
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18536
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18536
36 1 6 "Average Difference" HN 25 0.427 -0.099 0.423 18536
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18536
38 1 7 "Average Difference" HA 33 0.253 -0.039 0.253 18536
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18536
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18536
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18536
42 1 7 "Average Difference" HN 25 0.362 -0.081 0.360 18536
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18536
44 1 8 "Average Difference" HA 33 0.274 -0.095 0.260 18536
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18536
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18536
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18536
48 1 8 "Average Difference" HN 25 0.442 -0.105 0.438 18536
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18536
50 1 9 "Average Difference" HA 33 0.275 -0.084 0.266 18536
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18536
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18536
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18536
54 1 9 "Average Difference" HN 25 0.426 -0.164 0.401 18536
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18536
56 1 10 "Average Difference" HA 33 0.259 -0.069 0.253 18536
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18536
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18536
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18536
60 1 10 "Average Difference" HN 25 0.380 -0.149 0.356 18536
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18536
62 1 11 "Average Difference" HA 33 0.256 -0.030 0.258 18536
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18536
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18536
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18536
66 1 11 "Average Difference" HN 25 0.410 -0.101 0.405 18536
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18536
68 1 12 "Average Difference" HA 33 0.267 -0.020 0.270 18536
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18536
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18536
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18536
72 1 12 "Average Difference" HN 25 0.390 -0.072 0.391 18536
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18536
74 1 13 "Average Difference" HA 33 0.237 -0.048 0.236 18536
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18536
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18536
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18536
78 1 13 "Average Difference" HN 25 0.411 -0.097 0.408 18536
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18536
80 1 14 "Average Difference" HA 33 0.241 -0.045 0.240 18536
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18536
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18536
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18536
84 1 14 "Average Difference" HN 25 0.411 -0.122 0.401 18536
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18536
86 1 15 "Average Difference" HA 33 0.255 -0.051 0.253 18536
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18536
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18536
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18536
90 1 15 "Average Difference" HN 25 0.395 -0.084 0.394 18536
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18536
92 1 16 "Average Difference" HA 33 0.254 -0.023 0.257 18536
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18536
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18536
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18536
96 1 16 "Average Difference" HN 25 0.419 -0.111 0.412 18536
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18536
98 1 17 "Average Difference" HA 33 0.268 -0.067 0.264 18536
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18536
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18536
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18536
102 1 17 "Average Difference" HN 25 0.446 -0.169 0.421 18536
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18536
104 1 18 "Average Difference" HA 33 0.238 -0.049 0.237 18536
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18536
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18536
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18536
108 1 18 "Average Difference" HN 25 0.438 -0.114 0.432 18536
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18536
110 1 19 "Average Difference" HA 33 0.264 -0.076 0.256 18536
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18536
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18536
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18536
114 1 19 "Average Difference" HN 25 0.421 -0.139 0.406 18536
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18536
116 1 20 "Average Difference" HA 33 0.257 -0.080 0.248 18536
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18536
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18536
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18536
120 1 20 "Average Difference" HN 25 0.410 -0.159 0.386 18536
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 18536
_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 H H 2 8.196 8.196 8.322 -0.126 18536
2 1 . 1 1 3 3 GLU HA H 3 4.519 4.519 4.771 -0.252 18536
3 1 . 1 1 3 3 GLU H H 3 7.892 7.892 7.878 0.014 18536
4 1 . 1 1 4 4 THR HA H 4 4.597 4.597 4.564 0.033 18536
5 1 . 1 1 4 4 THR H H 4 8.143 8.143 8.288 -0.145 18536
6 1 . 1 1 5 5 CYS HA H 5 4.752 4.752 4.884 -0.132 18536
7 1 . 1 1 5 5 CYS H H 5 8.564 8.564 8.551 0.013 18536
8 1 . 1 1 6 6 VAL HA H 6 3.962 3.962 3.599 0.363 18536
9 1 . 1 1 6 6 VAL H H 6 8.369 8.369 7.941 0.428 18536
10 1 . 1 1 7 7 GLY H H 7 8.803 8.803 8.269 0.534 18536
11 1 . 1 1 8 8 GLY H H 8 8.267 8.267 8.081 0.186 18536
12 1 . 1 1 9 9 THR HA H 9 4.624 4.624 4.542 0.082 18536
13 1 . 1 1 9 9 THR H H 9 7.680 7.680 7.786 -0.106 18536
14 1 . 1 1 10 10 CYS HA H 10 4.745 4.745 4.692 0.053 18536
15 1 . 1 1 10 10 CYS H H 10 8.068 8.068 8.582 -0.514 18536
16 1 . 1 1 11 11 ASN HA H 11 4.590 4.590 4.743 -0.153 18536
17 1 . 1 1 11 11 ASN H H 11 8.739 8.739 8.480 0.259 18536
18 1 . 1 1 12 12 THR HA H 12 4.531 4.531 4.764 -0.233 18536
19 1 . 1 1 12 12 THR H H 12 7.972 7.972 7.948 0.024 18536
20 1 . 1 1 13 13 PRO HA H 13 4.226 4.226 4.345 -0.119 18536
21 1 . 1 1 14 14 GLY H H 14 8.579 8.579 8.479 0.100 18536
22 1 . 1 1 15 15 CYS HA H 15 4.911 4.911 4.703 0.208 18536
23 1 . 1 1 15 15 CYS H H 15 7.677 7.677 7.842 -0.165 18536
24 1 . 1 1 16 16 THR HA H 16 4.464 4.464 4.673 -0.209 18536
25 1 . 1 1 16 16 THR H H 16 9.017 9.017 8.283 0.734 18536
26 1 . 1 1 17 17 CYS HA H 17 4.588 4.588 4.531 0.056 18536
27 1 . 1 1 17 17 CYS H H 17 9.050 9.050 8.581 0.469 18536
28 1 . 1 1 18 18 SER HA H 18 4.661 4.661 4.797 -0.136 18536
29 1 . 1 1 18 18 SER H H 18 8.938 8.938 8.540 0.398 18536
30 1 . 1 1 19 19 TRP HA H 19 4.107 4.107 4.561 -0.454 18536
31 1 . 1 1 19 19 TRP H H 19 8.380 8.380 7.801 0.579 18536
32 1 . 1 1 20 20 PRO HA H 20 3.366 3.366 2.723 0.643 18536
33 1 . 1 1 21 21 VAL HA H 21 4.236 4.236 3.991 0.245 18536
34 1 . 1 1 21 21 VAL H H 21 8.226 8.226 7.452 0.774 18536
35 1 . 1 1 22 22 CYS HA H 22 4.987 4.987 4.801 0.186 18536
36 1 . 1 1 22 22 CYS H H 22 7.975 7.975 8.157 -0.182 18536
37 1 . 1 1 23 23 GLY H H 23 8.748 8.748 8.809 -0.061 18536
38 1 . 1 1 24 24 HIS HA H 24 4.771 4.771 4.925 -0.154 18536
39 1 . 1 1 24 24 HIS H H 24 8.346 8.346 7.961 0.385 18536
40 1 . 1 1 25 25 PHE HA H 25 4.461 4.461 4.677 -0.216 18536
41 1 . 1 1 25 25 PHE H H 25 8.411 8.411 8.630 -0.219 18536
42 1 . 1 1 26 26 ARG HA H 26 3.879 3.879 4.050 -0.171 18536
43 1 . 1 1 26 26 ARG H H 26 8.274 8.274 8.268 0.006 18536
44 1 . 1 1 27 27 TRP HA H 27 4.677 4.677 4.599 0.078 18536
45 1 . 1 1 27 27 TRP H H 27 7.699 7.699 7.545 0.154 18536
46 1 . 1 1 28 28 GLY H H 28 7.922 7.922 8.675 -0.753 18536
stop_
save_