data_19557
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19557
_Entry.PDB_ID 2MFP
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 19557
_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 8.312 8.312 8.167 0.145 19557
2 1 1 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.606 0.099 19557
3 1 1 . 1 1 3 3 CYS H H 3 7.987 7.987 8.596 -0.609 19557
4 1 1 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.827 -0.072 19557
5 1 1 . 1 1 4 4 ASP H H 4 9.311 9.311 8.334 0.977 19557
6 1 1 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.360 0.095 19557
7 1 1 . 1 1 5 5 ASP H H 5 8.710 8.710 8.555 0.155 19557
8 1 1 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.276 0.333 19557
9 1 1 . 1 1 6 6 LYS H H 6 8.652 8.652 8.489 0.163 19557
10 1 1 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.446 0.037 19557
11 1 1 . 1 1 7 7 CYS H H 7 7.698 7.698 7.767 -0.069 19557
12 1 1 . 1 1 8 8 GLY H H 8 8.756 8.756 7.585 1.171 19557
13 1 1 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.592 -0.176 19557
14 1 1 . 1 1 9 9 CYS H H 9 8.516 8.516 7.247 1.269 19557
15 1 1 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.384 -0.240 19557
16 1 1 . 1 1 10 10 ALA H H 10 8.503 8.503 8.099 0.404 19557
17 1 1 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.366 -0.134 19557
18 1 1 . 1 1 11 11 VAL H H 11 7.998 7.998 8.369 -0.371 19557
19 1 1 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.472 0.274 19557
20 1 1 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.696 -0.138 19557
21 1 1 . 1 1 13 13 CYS H H 13 8.505 8.505 8.614 -0.109 19557
22 1 1 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.579 -0.038 19557
23 1 1 . 1 1 15 15 GLY H H 15 8.816 8.816 8.124 0.692 19557
24 1 1 . 1 1 16 16 GLY H H 16 8.392 8.392 7.970 0.422 19557
25 1 1 . 1 1 17 17 THR HA H 17 4.285 4.285 4.044 0.241 19557
26 1 1 . 1 1 18 18 GLY H H 18 8.328 8.328 7.817 0.511 19557
27 1 1 . 1 1 19 19 CYS HA H 19 4.319 4.319 5.054 -0.735 19557
28 1 1 . 1 1 19 19 CYS H H 19 7.270 7.270 7.789 -0.519 19557
29 1 1 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.424 -0.034 19557
30 1 1 . 1 1 20 20 ARG H H 20 8.235 8.235 7.863 0.372 19557
31 1 1 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.984 -0.558 19557
32 1 1 . 1 1 21 21 CYS H H 21 8.472 8.472 8.254 0.218 19557
33 1 1 . 1 1 22 22 THR HA H 22 4.280 4.280 4.541 -0.261 19557
34 1 1 . 1 1 22 22 THR H H 22 7.885 7.885 7.808 0.077 19557
35 1 1 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.333 0.000 19557
36 1 1 . 1 1 24 24 ALA H H 24 8.028 8.028 8.050 -0.022 19557
37 1 1 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.432 -0.076 19557
38 1 1 . 1 1 25 25 ARG H H 25 7.983 7.983 8.782 -0.799 19557
39 1 1 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.063 0.224 19557
40 1 1 . 1 1 30 30 ALA H H 30 8.295 8.295 8.597 -0.302 19557
41 1 2 . 1 1 2 2 GLY H H 2 8.312 8.312 7.935 0.377 19557
42 1 2 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.773 -0.068 19557
43 1 2 . 1 1 3 3 CYS H H 3 7.987 7.987 8.332 -0.345 19557
44 1 2 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.781 -0.026 19557
45 1 2 . 1 1 4 4 ASP H H 4 9.311 9.311 8.410 0.901 19557
46 1 2 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.364 0.091 19557
47 1 2 . 1 1 5 5 ASP H H 5 8.710 8.710 8.672 0.038 19557
48 1 2 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.268 0.341 19557
49 1 2 . 1 1 6 6 LYS H H 6 8.652 8.652 8.176 0.476 19557
50 1 2 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.499 -0.016 19557
51 1 2 . 1 1 7 7 CYS H H 7 7.698 7.698 7.885 -0.187 19557
52 1 2 . 1 1 8 8 GLY H H 8 8.756 8.756 7.973 0.783 19557
53 1 2 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.498 -0.082 19557
54 1 2 . 1 1 9 9 CYS H H 9 8.516 8.516 7.509 1.007 19557
55 1 2 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.247 -0.103 19557
56 1 2 . 1 1 10 10 ALA H H 10 8.503 8.503 7.955 0.548 19557
57 1 2 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.392 -0.160 19557
58 1 2 . 1 1 11 11 VAL H H 11 7.998 7.998 8.330 -0.332 19557
59 1 2 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.503 0.243 19557
60 1 2 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.672 -0.114 19557
61 1 2 . 1 1 13 13 CYS H H 13 8.505 8.505 8.406 0.099 19557
62 1 2 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.560 -0.019 19557
63 1 2 . 1 1 15 15 GLY H H 15 8.816 8.816 7.685 1.131 19557
64 1 2 . 1 1 16 16 GLY H H 16 8.392 8.392 7.869 0.523 19557
65 1 2 . 1 1 17 17 THR HA H 17 4.285 4.285 4.079 0.206 19557
66 1 2 . 1 1 18 18 GLY H H 18 8.328 8.328 7.909 0.419 19557
67 1 2 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.810 -0.491 19557
68 1 2 . 1 1 19 19 CYS H H 19 7.270 7.270 7.796 -0.526 19557
69 1 2 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.388 0.002 19557
70 1 2 . 1 1 20 20 ARG H H 20 8.235 8.235 8.232 0.003 19557
71 1 2 . 1 1 21 21 CYS HA H 21 4.426 4.426 5.210 -0.784 19557
72 1 2 . 1 1 21 21 CYS H H 21 8.472 8.472 8.621 -0.149 19557
73 1 2 . 1 1 22 22 THR HA H 22 4.280 4.280 4.317 -0.037 19557
74 1 2 . 1 1 22 22 THR H H 22 7.885 7.885 7.896 -0.011 19557
75 1 2 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.536 -0.203 19557
76 1 2 . 1 1 24 24 ALA H H 24 8.028 8.028 8.045 -0.017 19557
77 1 2 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.313 0.043 19557
78 1 2 . 1 1 25 25 ARG H H 25 7.983 7.983 8.687 -0.704 19557
79 1 2 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.503 -0.216 19557
80 1 2 . 1 1 30 30 ALA H H 30 8.295 8.295 8.675 -0.380 19557
81 1 3 . 1 1 2 2 GLY H H 2 8.312 8.312 8.345 -0.033 19557
82 1 3 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.386 0.319 19557
83 1 3 . 1 1 3 3 CYS H H 3 7.987 7.987 8.308 -0.321 19557
84 1 3 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.716 0.039 19557
85 1 3 . 1 1 4 4 ASP H H 4 9.311 9.311 8.184 1.127 19557
86 1 3 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.475 -0.020 19557
87 1 3 . 1 1 5 5 ASP H H 5 8.710 8.710 8.650 0.060 19557
88 1 3 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.284 0.325 19557
89 1 3 . 1 1 6 6 LYS H H 6 8.652 8.652 7.952 0.700 19557
90 1 3 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.499 -0.016 19557
91 1 3 . 1 1 7 7 CYS H H 7 7.698 7.698 7.683 0.015 19557
92 1 3 . 1 1 8 8 GLY H H 8 8.756 8.756 7.537 1.219 19557
93 1 3 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.567 -0.151 19557
94 1 3 . 1 1 9 9 CYS H H 9 8.516 8.516 7.472 1.044 19557
95 1 3 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.260 -0.116 19557
96 1 3 . 1 1 10 10 ALA H H 10 8.503 8.503 8.275 0.228 19557
97 1 3 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.356 -0.124 19557
98 1 3 . 1 1 11 11 VAL H H 11 7.998 7.998 8.188 -0.190 19557
99 1 3 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.437 0.309 19557
100 1 3 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.688 -0.130 19557
101 1 3 . 1 1 13 13 CYS H H 13 8.505 8.505 8.640 -0.135 19557
102 1 3 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.505 0.035 19557
103 1 3 . 1 1 15 15 GLY H H 15 8.816 8.816 7.958 0.858 19557
104 1 3 . 1 1 16 16 GLY H H 16 8.392 8.392 7.682 0.710 19557
105 1 3 . 1 1 17 17 THR HA H 17 4.285 4.285 4.059 0.226 19557
106 1 3 . 1 1 18 18 GLY H H 18 8.328 8.328 8.624 -0.296 19557
107 1 3 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.726 -0.407 19557
108 1 3 . 1 1 19 19 CYS H H 19 7.270 7.270 8.077 -0.807 19557
109 1 3 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.333 0.057 19557
110 1 3 . 1 1 20 20 ARG H H 20 8.235 8.235 7.944 0.291 19557
111 1 3 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.630 -0.204 19557
112 1 3 . 1 1 21 21 CYS H H 21 8.472 8.472 8.668 -0.196 19557
113 1 3 . 1 1 22 22 THR HA H 22 4.280 4.280 4.140 0.140 19557
114 1 3 . 1 1 22 22 THR H H 22 7.885 7.885 7.757 0.128 19557
115 1 3 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.157 0.176 19557
116 1 3 . 1 1 24 24 ALA H H 24 8.028 8.028 8.194 -0.166 19557
117 1 3 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.248 0.108 19557
118 1 3 . 1 1 25 25 ARG H H 25 7.983 7.983 8.337 -0.354 19557
119 1 3 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.544 -0.257 19557
120 1 3 . 1 1 30 30 ALA H H 30 8.295 8.295 8.097 0.198 19557
121 1 4 . 1 1 2 2 GLY H H 2 8.312 8.312 8.274 0.038 19557
122 1 4 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.871 -0.166 19557
123 1 4 . 1 1 3 3 CYS H H 3 7.987 7.987 8.488 -0.501 19557
124 1 4 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.827 -0.072 19557
125 1 4 . 1 1 4 4 ASP H H 4 9.311 9.311 8.124 1.187 19557
126 1 4 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.527 -0.072 19557
127 1 4 . 1 1 5 5 ASP H H 5 8.710 8.710 8.557 0.153 19557
128 1 4 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.253 0.356 19557
129 1 4 . 1 1 6 6 LYS H H 6 8.652 8.652 8.079 0.573 19557
130 1 4 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.564 -0.081 19557
131 1 4 . 1 1 7 7 CYS H H 7 7.698 7.698 7.745 -0.047 19557
132 1 4 . 1 1 8 8 GLY H H 8 8.756 8.756 7.656 1.100 19557
133 1 4 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.773 -0.357 19557
134 1 4 . 1 1 9 9 CYS H H 9 8.516 8.516 7.400 1.116 19557
135 1 4 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.272 -0.128 19557
136 1 4 . 1 1 10 10 ALA H H 10 8.503 8.503 7.970 0.533 19557
137 1 4 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.447 -0.215 19557
138 1 4 . 1 1 11 11 VAL H H 11 7.998 7.998 8.280 -0.282 19557
139 1 4 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.442 0.304 19557
140 1 4 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.671 -0.113 19557
141 1 4 . 1 1 13 13 CYS H H 13 8.505 8.505 8.446 0.059 19557
142 1 4 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.505 0.036 19557
143 1 4 . 1 1 15 15 GLY H H 15 8.816 8.816 7.989 0.827 19557
144 1 4 . 1 1 16 16 GLY H H 16 8.392 8.392 8.053 0.339 19557
145 1 4 . 1 1 17 17 THR HA H 17 4.285 4.285 4.147 0.138 19557
146 1 4 . 1 1 18 18 GLY H H 18 8.328 8.328 7.961 0.367 19557
147 1 4 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.906 -0.587 19557
148 1 4 . 1 1 19 19 CYS H H 19 7.270 7.270 7.895 -0.625 19557
149 1 4 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.378 0.012 19557
150 1 4 . 1 1 20 20 ARG H H 20 8.235 8.235 7.963 0.272 19557
151 1 4 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.861 -0.435 19557
152 1 4 . 1 1 21 21 CYS H H 21 8.472 8.472 8.393 0.080 19557
153 1 4 . 1 1 22 22 THR HA H 22 4.280 4.280 4.417 -0.137 19557
154 1 4 . 1 1 22 22 THR H H 22 7.885 7.885 7.858 0.027 19557
155 1 4 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.678 -0.345 19557
156 1 4 . 1 1 24 24 ALA H H 24 8.028 8.028 7.563 0.465 19557
157 1 4 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.279 0.077 19557
158 1 4 . 1 1 25 25 ARG H H 25 7.983 7.983 8.606 -0.623 19557
159 1 4 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.247 0.040 19557
160 1 4 . 1 1 30 30 ALA H H 30 8.295 8.295 8.538 -0.243 19557
161 1 5 . 1 1 2 2 GLY H H 2 8.312 8.312 8.103 0.209 19557
162 1 5 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.714 -0.009 19557
163 1 5 . 1 1 3 3 CYS H H 3 7.987 7.987 8.553 -0.566 19557
164 1 5 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.812 -0.057 19557
165 1 5 . 1 1 4 4 ASP H H 4 9.311 9.311 8.339 0.972 19557
166 1 5 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.409 0.046 19557
167 1 5 . 1 1 5 5 ASP H H 5 8.710 8.710 8.582 0.128 19557
168 1 5 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.100 0.509 19557
169 1 5 . 1 1 6 6 LYS H H 6 8.652 8.652 8.169 0.483 19557
170 1 5 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.510 -0.027 19557
171 1 5 . 1 1 7 7 CYS H H 7 7.698 7.698 7.719 -0.021 19557
172 1 5 . 1 1 8 8 GLY H H 8 8.756 8.756 7.550 1.206 19557
173 1 5 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.639 -0.223 19557
174 1 5 . 1 1 9 9 CYS H H 9 8.516 8.516 7.404 1.112 19557
175 1 5 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.358 -0.214 19557
176 1 5 . 1 1 10 10 ALA H H 10 8.503 8.503 8.250 0.253 19557
177 1 5 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.380 -0.148 19557
178 1 5 . 1 1 11 11 VAL H H 11 7.998 7.998 8.371 -0.373 19557
179 1 5 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.512 0.234 19557
180 1 5 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.665 -0.107 19557
181 1 5 . 1 1 13 13 CYS H H 13 8.505 8.505 8.568 -0.063 19557
182 1 5 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.596 -0.055 19557
183 1 5 . 1 1 15 15 GLY H H 15 8.816 8.816 7.425 1.391 19557
184 1 5 . 1 1 16 16 GLY H H 16 8.392 8.392 8.347 0.045 19557
185 1 5 . 1 1 17 17 THR HA H 17 4.285 4.285 4.136 0.149 19557
186 1 5 . 1 1 18 18 GLY H H 18 8.328 8.328 7.749 0.579 19557
187 1 5 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.932 -0.613 19557
188 1 5 . 1 1 19 19 CYS H H 19 7.270 7.270 7.524 -0.254 19557
189 1 5 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.224 0.166 19557
190 1 5 . 1 1 20 20 ARG H H 20 8.235 8.235 8.069 0.166 19557
191 1 5 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.685 -0.259 19557
192 1 5 . 1 1 21 21 CYS H H 21 8.472 8.472 8.483 -0.011 19557
193 1 5 . 1 1 22 22 THR HA H 22 4.280 4.280 4.500 -0.220 19557
194 1 5 . 1 1 22 22 THR H H 22 7.885 7.885 7.828 0.057 19557
195 1 5 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.412 -0.079 19557
196 1 5 . 1 1 24 24 ALA H H 24 8.028 8.028 8.112 -0.084 19557
197 1 5 . 1 1 25 25 ARG HA H 25 4.356 4.356 3.969 0.387 19557
198 1 5 . 1 1 25 25 ARG H H 25 7.983 7.983 8.465 -0.482 19557
199 1 5 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.526 -0.239 19557
200 1 5 . 1 1 30 30 ALA H H 30 8.295 8.295 8.105 0.190 19557
201 1 6 . 1 1 2 2 GLY H H 2 8.312 8.312 8.153 0.159 19557
202 1 6 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.599 0.106 19557
203 1 6 . 1 1 3 3 CYS H H 3 7.987 7.987 8.058 -0.071 19557
204 1 6 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.742 0.013 19557
205 1 6 . 1 1 4 4 ASP H H 4 9.311 9.311 8.495 0.816 19557
206 1 6 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.458 -0.003 19557
207 1 6 . 1 1 5 5 ASP H H 5 8.710 8.710 8.595 0.115 19557
208 1 6 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.060 0.549 19557
209 1 6 . 1 1 6 6 LYS H H 6 8.652 8.652 7.949 0.703 19557
210 1 6 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.361 0.122 19557
211 1 6 . 1 1 7 7 CYS H H 7 7.698 7.698 7.781 -0.083 19557
212 1 6 . 1 1 8 8 GLY H H 8 8.756 8.756 7.907 0.849 19557
213 1 6 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.595 -0.179 19557
214 1 6 . 1 1 9 9 CYS H H 9 8.516 8.516 7.670 0.846 19557
215 1 6 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.306 -0.163 19557
216 1 6 . 1 1 10 10 ALA H H 10 8.503 8.503 8.360 0.143 19557
217 1 6 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.367 -0.135 19557
218 1 6 . 1 1 11 11 VAL H H 11 7.998 7.998 8.250 -0.252 19557
219 1 6 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.598 0.148 19557
220 1 6 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.679 -0.121 19557
221 1 6 . 1 1 13 13 CYS H H 13 8.505 8.505 8.341 0.164 19557
222 1 6 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.380 0.161 19557
223 1 6 . 1 1 15 15 GLY H H 15 8.816 8.816 7.988 0.828 19557
224 1 6 . 1 1 16 16 GLY H H 16 8.392 8.392 7.622 0.770 19557
225 1 6 . 1 1 17 17 THR HA H 17 4.285 4.285 4.085 0.200 19557
226 1 6 . 1 1 18 18 GLY H H 18 8.328 8.328 7.925 0.403 19557
227 1 6 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.695 -0.376 19557
228 1 6 . 1 1 19 19 CYS H H 19 7.270 7.270 7.618 -0.348 19557
229 1 6 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.410 -0.020 19557
230 1 6 . 1 1 20 20 ARG H H 20 8.235 8.235 8.950 -0.715 19557
231 1 6 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.838 -0.412 19557
232 1 6 . 1 1 21 21 CYS H H 21 8.472 8.472 7.644 0.828 19557
233 1 6 . 1 1 22 22 THR HA H 22 4.280 4.280 4.451 -0.171 19557
234 1 6 . 1 1 22 22 THR H H 22 7.885 7.885 7.631 0.254 19557
235 1 6 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.612 -0.279 19557
236 1 6 . 1 1 24 24 ALA H H 24 8.028 8.028 7.586 0.442 19557
237 1 6 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.541 -0.185 19557
238 1 6 . 1 1 25 25 ARG H H 25 7.983 7.983 8.621 -0.638 19557
239 1 6 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.495 -0.208 19557
240 1 6 . 1 1 30 30 ALA H H 30 8.295 8.295 7.725 0.570 19557
241 1 7 . 1 1 2 2 GLY H H 2 8.312 8.312 8.298 0.014 19557
242 1 7 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.648 0.057 19557
243 1 7 . 1 1 3 3 CYS H H 3 7.987 7.987 7.912 0.075 19557
244 1 7 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.682 0.073 19557
245 1 7 . 1 1 4 4 ASP H H 4 9.311 9.311 8.034 1.277 19557
246 1 7 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.446 0.009 19557
247 1 7 . 1 1 5 5 ASP H H 5 8.710 8.710 8.565 0.145 19557
248 1 7 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.149 0.460 19557
249 1 7 . 1 1 6 6 LYS H H 6 8.652 8.652 8.239 0.413 19557
250 1 7 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.473 0.010 19557
251 1 7 . 1 1 7 7 CYS H H 7 7.698 7.698 7.799 -0.101 19557
252 1 7 . 1 1 8 8 GLY H H 8 8.756 8.756 7.516 1.240 19557
253 1 7 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.634 -0.218 19557
254 1 7 . 1 1 9 9 CYS H H 9 8.516 8.516 7.314 1.202 19557
255 1 7 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.246 -0.102 19557
256 1 7 . 1 1 10 10 ALA H H 10 8.503 8.503 7.979 0.524 19557
257 1 7 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.414 -0.182 19557
258 1 7 . 1 1 11 11 VAL H H 11 7.998 7.998 8.159 -0.161 19557
259 1 7 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.447 0.299 19557
260 1 7 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.719 -0.161 19557
261 1 7 . 1 1 13 13 CYS H H 13 8.505 8.505 8.594 -0.089 19557
262 1 7 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.600 -0.059 19557
263 1 7 . 1 1 15 15 GLY H H 15 8.816 8.816 7.687 1.129 19557
264 1 7 . 1 1 16 16 GLY H H 16 8.392 8.392 7.961 0.431 19557
265 1 7 . 1 1 17 17 THR HA H 17 4.285 4.285 4.037 0.248 19557
266 1 7 . 1 1 18 18 GLY H H 18 8.328 8.328 7.903 0.425 19557
267 1 7 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.929 -0.610 19557
268 1 7 . 1 1 19 19 CYS H H 19 7.270 7.270 7.803 -0.533 19557
269 1 7 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.313 0.077 19557
270 1 7 . 1 1 20 20 ARG H H 20 8.235 8.235 8.348 -0.113 19557
271 1 7 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.736 -0.310 19557
272 1 7 . 1 1 21 21 CYS H H 21 8.472 8.472 8.416 0.056 19557
273 1 7 . 1 1 22 22 THR HA H 22 4.280 4.280 4.211 0.069 19557
274 1 7 . 1 1 22 22 THR H H 22 7.885 7.885 8.003 -0.118 19557
275 1 7 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.285 0.048 19557
276 1 7 . 1 1 24 24 ALA H H 24 8.028 8.028 7.587 0.441 19557
277 1 7 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.248 0.108 19557
278 1 7 . 1 1 25 25 ARG H H 25 7.983 7.983 8.567 -0.584 19557
279 1 7 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.542 -0.255 19557
280 1 7 . 1 1 30 30 ALA H H 30 8.295 8.295 8.291 0.004 19557
281 1 8 . 1 1 2 2 GLY H H 2 8.312 8.312 8.304 0.008 19557
282 1 8 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.769 -0.064 19557
283 1 8 . 1 1 3 3 CYS H H 3 7.987 7.987 8.359 -0.372 19557
284 1 8 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.779 -0.024 19557
285 1 8 . 1 1 4 4 ASP H H 4 9.311 9.311 8.029 1.282 19557
286 1 8 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.433 0.022 19557
287 1 8 . 1 1 5 5 ASP H H 5 8.710 8.710 8.588 0.122 19557
288 1 8 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.356 0.253 19557
289 1 8 . 1 1 6 6 LYS H H 6 8.652 8.652 8.841 -0.189 19557
290 1 8 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.292 0.191 19557
291 1 8 . 1 1 7 7 CYS H H 7 7.698 7.698 7.682 0.016 19557
292 1 8 . 1 1 8 8 GLY H H 8 8.756 8.756 7.653 1.103 19557
293 1 8 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.674 -0.258 19557
294 1 8 . 1 1 9 9 CYS H H 9 8.516 8.516 7.432 1.084 19557
295 1 8 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.356 -0.212 19557
296 1 8 . 1 1 10 10 ALA H H 10 8.503 8.503 8.547 -0.044 19557
297 1 8 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.300 -0.068 19557
298 1 8 . 1 1 11 11 VAL H H 11 7.998 7.998 8.325 -0.327 19557
299 1 8 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.537 0.209 19557
300 1 8 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.623 -0.065 19557
301 1 8 . 1 1 13 13 CYS H H 13 8.505 8.505 8.512 -0.007 19557
302 1 8 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.391 0.150 19557
303 1 8 . 1 1 15 15 GLY H H 15 8.816 8.816 8.042 0.774 19557
304 1 8 . 1 1 16 16 GLY H H 16 8.392 8.392 7.994 0.398 19557
305 1 8 . 1 1 17 17 THR HA H 17 4.285 4.285 4.206 0.079 19557
306 1 8 . 1 1 18 18 GLY H H 18 8.328 8.328 8.541 -0.213 19557
307 1 8 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.719 -0.400 19557
308 1 8 . 1 1 19 19 CYS H H 19 7.270 7.270 7.818 -0.548 19557
309 1 8 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.289 0.101 19557
310 1 8 . 1 1 20 20 ARG H H 20 8.235 8.235 8.072 0.163 19557
311 1 8 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.599 -0.173 19557
312 1 8 . 1 1 21 21 CYS H H 21 8.472 8.472 8.711 -0.239 19557
313 1 8 . 1 1 22 22 THR HA H 22 4.280 4.280 4.169 0.111 19557
314 1 8 . 1 1 22 22 THR H H 22 7.885 7.885 8.106 -0.221 19557
315 1 8 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.096 0.237 19557
316 1 8 . 1 1 24 24 ALA H H 24 8.028 8.028 8.006 0.022 19557
317 1 8 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.384 -0.028 19557
318 1 8 . 1 1 25 25 ARG H H 25 7.983 7.983 8.441 -0.458 19557
319 1 8 . 1 1 30 30 ALA HA H 30 4.287 4.287 3.947 0.340 19557
320 1 8 . 1 1 30 30 ALA H H 30 8.295 8.295 8.440 -0.145 19557
321 1 9 . 1 1 2 2 GLY H H 2 8.312 8.312 7.959 0.353 19557
322 1 9 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.909 -0.204 19557
323 1 9 . 1 1 3 3 CYS H H 3 7.987 7.987 8.260 -0.273 19557
324 1 9 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.725 0.030 19557
325 1 9 . 1 1 4 4 ASP H H 4 9.311 9.311 8.249 1.062 19557
326 1 9 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.354 0.101 19557
327 1 9 . 1 1 5 5 ASP H H 5 8.710 8.710 8.579 0.131 19557
328 1 9 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.381 0.228 19557
329 1 9 . 1 1 6 6 LYS H H 6 8.652 8.652 8.667 -0.015 19557
330 1 9 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.564 -0.081 19557
331 1 9 . 1 1 7 7 CYS H H 7 7.698 7.698 7.831 -0.133 19557
332 1 9 . 1 1 8 8 GLY H H 8 8.756 8.756 7.864 0.892 19557
333 1 9 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.830 -0.414 19557
334 1 9 . 1 1 9 9 CYS H H 9 8.516 8.516 7.218 1.298 19557
335 1 9 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.317 -0.173 19557
336 1 9 . 1 1 10 10 ALA H H 10 8.503 8.503 7.982 0.521 19557
337 1 9 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.433 -0.201 19557
338 1 9 . 1 1 11 11 VAL H H 11 7.998 7.998 8.322 -0.324 19557
339 1 9 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.545 0.201 19557
340 1 9 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.710 -0.152 19557
341 1 9 . 1 1 13 13 CYS H H 13 8.505 8.505 8.426 0.079 19557
342 1 9 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.501 0.040 19557
343 1 9 . 1 1 15 15 GLY H H 15 8.816 8.816 8.241 0.575 19557
344 1 9 . 1 1 16 16 GLY H H 16 8.392 8.392 7.891 0.501 19557
345 1 9 . 1 1 17 17 THR HA H 17 4.285 4.285 4.196 0.089 19557
346 1 9 . 1 1 18 18 GLY H H 18 8.328 8.328 8.018 0.310 19557
347 1 9 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.829 -0.510 19557
348 1 9 . 1 1 19 19 CYS H H 19 7.270 7.270 7.864 -0.594 19557
349 1 9 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.286 0.104 19557
350 1 9 . 1 1 20 20 ARG H H 20 8.235 8.235 7.843 0.392 19557
351 1 9 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.735 -0.309 19557
352 1 9 . 1 1 21 21 CYS H H 21 8.472 8.472 8.609 -0.137 19557
353 1 9 . 1 1 22 22 THR HA H 22 4.280 4.280 4.368 -0.088 19557
354 1 9 . 1 1 22 22 THR H H 22 7.885 7.885 7.649 0.236 19557
355 1 9 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.534 -0.201 19557
356 1 9 . 1 1 24 24 ALA H H 24 8.028 8.028 7.072 0.956 19557
357 1 9 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.477 -0.121 19557
358 1 9 . 1 1 25 25 ARG H H 25 7.983 7.983 8.474 -0.491 19557
359 1 9 . 1 1 30 30 ALA HA H 30 4.287 4.287 5.039 -0.752 19557
360 1 9 . 1 1 30 30 ALA H H 30 8.295 8.295 7.900 0.395 19557
361 1 10 . 1 1 2 2 GLY H H 2 8.312 8.312 8.133 0.179 19557
362 1 10 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.686 0.019 19557
363 1 10 . 1 1 3 3 CYS H H 3 7.987 7.987 8.533 -0.546 19557
364 1 10 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.849 -0.094 19557
365 1 10 . 1 1 4 4 ASP H H 4 9.311 9.311 8.393 0.918 19557
366 1 10 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.426 0.029 19557
367 1 10 . 1 1 5 5 ASP H H 5 8.710 8.710 8.516 0.194 19557
368 1 10 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.151 0.458 19557
369 1 10 . 1 1 6 6 LYS H H 6 8.652 8.652 8.437 0.215 19557
370 1 10 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.336 0.147 19557
371 1 10 . 1 1 7 7 CYS H H 7 7.698 7.698 7.698 0.000 19557
372 1 10 . 1 1 8 8 GLY H H 8 8.756 8.756 7.839 0.917 19557
373 1 10 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.470 -0.054 19557
374 1 10 . 1 1 9 9 CYS H H 9 8.516 8.516 7.407 1.109 19557
375 1 10 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.275 -0.131 19557
376 1 10 . 1 1 10 10 ALA H H 10 8.503 8.503 8.137 0.366 19557
377 1 10 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.445 -0.213 19557
378 1 10 . 1 1 11 11 VAL H H 11 7.998 7.998 8.231 -0.233 19557
379 1 10 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.471 0.275 19557
380 1 10 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.609 -0.051 19557
381 1 10 . 1 1 13 13 CYS H H 13 8.505 8.505 8.451 0.054 19557
382 1 10 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.453 0.088 19557
383 1 10 . 1 1 15 15 GLY H H 15 8.816 8.816 7.952 0.864 19557
384 1 10 . 1 1 16 16 GLY H H 16 8.392 8.392 7.941 0.451 19557
385 1 10 . 1 1 17 17 THR HA H 17 4.285 4.285 4.061 0.224 19557
386 1 10 . 1 1 18 18 GLY H H 18 8.328 8.328 7.882 0.446 19557
387 1 10 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.760 -0.441 19557
388 1 10 . 1 1 19 19 CYS H H 19 7.270 7.270 7.782 -0.512 19557
389 1 10 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.323 0.067 19557
390 1 10 . 1 1 20 20 ARG H H 20 8.235 8.235 8.621 -0.386 19557
391 1 10 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.679 -0.253 19557
392 1 10 . 1 1 21 21 CYS H H 21 8.472 8.472 8.549 -0.077 19557
393 1 10 . 1 1 22 22 THR HA H 22 4.280 4.280 4.277 0.003 19557
394 1 10 . 1 1 22 22 THR H H 22 7.885 7.885 7.865 0.020 19557
395 1 10 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.595 -0.262 19557
396 1 10 . 1 1 24 24 ALA H H 24 8.028 8.028 7.066 0.962 19557
397 1 10 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.298 0.058 19557
398 1 10 . 1 1 25 25 ARG H H 25 7.983 7.983 8.662 -0.679 19557
399 1 10 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.416 -0.129 19557
400 1 10 . 1 1 30 30 ALA H H 30 8.295 8.295 7.648 0.647 19557
401 1 11 . 1 1 2 2 GLY H H 2 8.312 8.312 8.061 0.251 19557
402 1 11 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.641 0.064 19557
403 1 11 . 1 1 3 3 CYS H H 3 7.987 7.987 8.251 -0.264 19557
404 1 11 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.603 0.152 19557
405 1 11 . 1 1 4 4 ASP H H 4 9.311 9.311 7.732 1.579 19557
406 1 11 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.354 0.101 19557
407 1 11 . 1 1 5 5 ASP H H 5 8.710 8.710 8.602 0.108 19557
408 1 11 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.275 0.334 19557
409 1 11 . 1 1 6 6 LYS H H 6 8.652 8.652 8.717 -0.065 19557
410 1 11 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.442 0.041 19557
411 1 11 . 1 1 7 7 CYS H H 7 7.698 7.698 7.959 -0.261 19557
412 1 11 . 1 1 8 8 GLY H H 8 8.756 8.756 7.773 0.983 19557
413 1 11 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.718 -0.302 19557
414 1 11 . 1 1 9 9 CYS H H 9 8.516 8.516 7.298 1.218 19557
415 1 11 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.321 -0.177 19557
416 1 11 . 1 1 10 10 ALA H H 10 8.503 8.503 8.223 0.280 19557
417 1 11 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.351 -0.119 19557
418 1 11 . 1 1 11 11 VAL H H 11 7.998 7.998 8.268 -0.270 19557
419 1 11 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.507 0.239 19557
420 1 11 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.690 -0.132 19557
421 1 11 . 1 1 13 13 CYS H H 13 8.505 8.505 8.386 0.119 19557
422 1 11 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.573 -0.032 19557
423 1 11 . 1 1 15 15 GLY H H 15 8.816 8.816 7.349 1.467 19557
424 1 11 . 1 1 16 16 GLY H H 16 8.392 8.392 8.397 -0.005 19557
425 1 11 . 1 1 17 17 THR HA H 17 4.285 4.285 4.164 0.121 19557
426 1 11 . 1 1 18 18 GLY H H 18 8.328 8.328 7.809 0.519 19557
427 1 11 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.816 -0.497 19557
428 1 11 . 1 1 19 19 CYS H H 19 7.270 7.270 7.553 -0.283 19557
429 1 11 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.308 0.082 19557
430 1 11 . 1 1 20 20 ARG H H 20 8.235 8.235 8.436 -0.201 19557
431 1 11 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.833 -0.407 19557
432 1 11 . 1 1 21 21 CYS H H 21 8.472 8.472 8.749 -0.277 19557
433 1 11 . 1 1 22 22 THR HA H 22 4.280 4.280 4.439 -0.159 19557
434 1 11 . 1 1 22 22 THR H H 22 7.885 7.885 8.146 -0.261 19557
435 1 11 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.600 -0.267 19557
436 1 11 . 1 1 24 24 ALA H H 24 8.028 8.028 7.583 0.445 19557
437 1 11 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.362 -0.006 19557
438 1 11 . 1 1 25 25 ARG H H 25 7.983 7.983 8.551 -0.568 19557
439 1 11 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.382 -0.095 19557
440 1 11 . 1 1 30 30 ALA H H 30 8.295 8.295 8.545 -0.250 19557
441 1 12 . 1 1 2 2 GLY H H 2 8.312 8.312 8.047 0.265 19557
442 1 12 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.621 0.084 19557
443 1 12 . 1 1 3 3 CYS H H 3 7.987 7.987 8.062 -0.075 19557
444 1 12 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.648 0.107 19557
445 1 12 . 1 1 4 4 ASP H H 4 9.311 9.311 7.938 1.373 19557
446 1 12 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.472 -0.017 19557
447 1 12 . 1 1 5 5 ASP H H 5 8.710 8.710 8.625 0.085 19557
448 1 12 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.300 0.309 19557
449 1 12 . 1 1 6 6 LYS H H 6 8.652 8.652 7.964 0.688 19557
450 1 12 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.701 -0.218 19557
451 1 12 . 1 1 7 7 CYS H H 7 7.698 7.698 7.779 -0.081 19557
452 1 12 . 1 1 8 8 GLY H H 8 8.756 8.756 7.836 0.920 19557
453 1 12 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.643 -0.227 19557
454 1 12 . 1 1 9 9 CYS H H 9 8.516 8.516 7.470 1.046 19557
455 1 12 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.381 -0.237 19557
456 1 12 . 1 1 10 10 ALA H H 10 8.503 8.503 7.987 0.516 19557
457 1 12 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.324 -0.092 19557
458 1 12 . 1 1 11 11 VAL H H 11 7.998 7.998 8.372 -0.374 19557
459 1 12 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.488 0.258 19557
460 1 12 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.665 -0.107 19557
461 1 12 . 1 1 13 13 CYS H H 13 8.505 8.505 8.643 -0.138 19557
462 1 12 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.547 -0.006 19557
463 1 12 . 1 1 15 15 GLY H H 15 8.816 8.816 8.036 0.780 19557
464 1 12 . 1 1 16 16 GLY H H 16 8.392 8.392 7.749 0.643 19557
465 1 12 . 1 1 17 17 THR HA H 17 4.285 4.285 4.089 0.196 19557
466 1 12 . 1 1 18 18 GLY H H 18 8.328 8.328 7.995 0.333 19557
467 1 12 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.830 -0.511 19557
468 1 12 . 1 1 19 19 CYS H H 19 7.270 7.270 8.157 -0.887 19557
469 1 12 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.270 0.120 19557
470 1 12 . 1 1 20 20 ARG H H 20 8.235 8.235 8.078 0.157 19557
471 1 12 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.685 -0.259 19557
472 1 12 . 1 1 21 21 CYS H H 21 8.472 8.472 8.427 0.045 19557
473 1 12 . 1 1 22 22 THR HA H 22 4.280 4.280 4.128 0.152 19557
474 1 12 . 1 1 22 22 THR H H 22 7.885 7.885 7.973 -0.088 19557
475 1 12 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.330 0.003 19557
476 1 12 . 1 1 24 24 ALA H H 24 8.028 8.028 7.800 0.228 19557
477 1 12 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.417 -0.061 19557
478 1 12 . 1 1 25 25 ARG H H 25 7.983 7.983 8.310 -0.327 19557
479 1 12 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.549 -0.262 19557
480 1 12 . 1 1 30 30 ALA H H 30 8.295 8.295 7.823 0.472 19557
481 1 13 . 1 1 2 2 GLY H H 2 8.312 8.312 7.930 0.382 19557
482 1 13 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.875 -0.170 19557
483 1 13 . 1 1 3 3 CYS H H 3 7.987 7.987 8.408 -0.421 19557
484 1 13 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.883 -0.128 19557
485 1 13 . 1 1 4 4 ASP H H 4 9.311 9.311 8.420 0.891 19557
486 1 13 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.377 0.078 19557
487 1 13 . 1 1 5 5 ASP H H 5 8.710 8.710 8.567 0.143 19557
488 1 13 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.213 0.396 19557
489 1 13 . 1 1 6 6 LYS H H 6 8.652 8.652 8.233 0.419 19557
490 1 13 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.506 -0.023 19557
491 1 13 . 1 1 7 7 CYS H H 7 7.698 7.698 7.923 -0.225 19557
492 1 13 . 1 1 8 8 GLY H H 8 8.756 8.756 8.074 0.682 19557
493 1 13 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.694 -0.278 19557
494 1 13 . 1 1 9 9 CYS H H 9 8.516 8.516 7.332 1.184 19557
495 1 13 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.321 -0.177 19557
496 1 13 . 1 1 10 10 ALA H H 10 8.503 8.503 8.139 0.364 19557
497 1 13 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.408 -0.176 19557
498 1 13 . 1 1 11 11 VAL H H 11 7.998 7.998 8.215 -0.217 19557
499 1 13 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.493 0.253 19557
500 1 13 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.643 -0.085 19557
501 1 13 . 1 1 13 13 CYS H H 13 8.505 8.505 8.538 -0.033 19557
502 1 13 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.554 -0.013 19557
503 1 13 . 1 1 15 15 GLY H H 15 8.816 8.816 8.045 0.771 19557
504 1 13 . 1 1 16 16 GLY H H 16 8.392 8.392 7.471 0.921 19557
505 1 13 . 1 1 17 17 THR HA H 17 4.285 4.285 4.057 0.228 19557
506 1 13 . 1 1 18 18 GLY H H 18 8.328 8.328 7.892 0.436 19557
507 1 13 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.787 -0.468 19557
508 1 13 . 1 1 19 19 CYS H H 19 7.270 7.270 7.752 -0.482 19557
509 1 13 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.320 0.070 19557
510 1 13 . 1 1 20 20 ARG H H 20 8.235 8.235 8.753 -0.518 19557
511 1 13 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.644 -0.218 19557
512 1 13 . 1 1 21 21 CYS H H 21 8.472 8.472 8.413 0.059 19557
513 1 13 . 1 1 22 22 THR HA H 22 4.280 4.280 4.235 0.045 19557
514 1 13 . 1 1 22 22 THR H H 22 7.885 7.885 8.519 -0.634 19557
515 1 13 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.235 0.098 19557
516 1 13 . 1 1 24 24 ALA H H 24 8.028 8.028 7.806 0.222 19557
517 1 13 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.502 -0.146 19557
518 1 13 . 1 1 25 25 ARG H H 25 7.983 7.983 8.563 -0.580 19557
519 1 13 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.509 -0.222 19557
520 1 13 . 1 1 30 30 ALA H H 30 8.295 8.295 8.459 -0.164 19557
521 1 14 . 1 1 2 2 GLY H H 2 8.312 8.312 8.148 0.164 19557
522 1 14 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.835 -0.130 19557
523 1 14 . 1 1 3 3 CYS H H 3 7.987 7.987 8.493 -0.506 19557
524 1 14 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.770 -0.015 19557
525 1 14 . 1 1 4 4 ASP H H 4 9.311 9.311 8.190 1.121 19557
526 1 14 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.356 0.099 19557
527 1 14 . 1 1 5 5 ASP H H 5 8.710 8.710 8.677 0.033 19557
528 1 14 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.214 0.395 19557
529 1 14 . 1 1 6 6 LYS H H 6 8.652 8.652 8.379 0.273 19557
530 1 14 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.485 -0.002 19557
531 1 14 . 1 1 7 7 CYS H H 7 7.698 7.698 7.827 -0.129 19557
532 1 14 . 1 1 8 8 GLY H H 8 8.756 8.756 7.902 0.854 19557
533 1 14 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.761 -0.345 19557
534 1 14 . 1 1 9 9 CYS H H 9 8.516 8.516 7.361 1.155 19557
535 1 14 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.462 -0.318 19557
536 1 14 . 1 1 10 10 ALA H H 10 8.503 8.503 8.361 0.142 19557
537 1 14 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.392 -0.160 19557
538 1 14 . 1 1 11 11 VAL H H 11 7.998 7.998 8.360 -0.362 19557
539 1 14 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.512 0.234 19557
540 1 14 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.744 -0.186 19557
541 1 14 . 1 1 13 13 CYS H H 13 8.505 8.505 8.663 -0.158 19557
542 1 14 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.361 0.180 19557
543 1 14 . 1 1 15 15 GLY H H 15 8.816 8.816 7.984 0.832 19557
544 1 14 . 1 1 16 16 GLY H H 16 8.392 8.392 7.933 0.459 19557
545 1 14 . 1 1 17 17 THR HA H 17 4.285 4.285 4.163 0.122 19557
546 1 14 . 1 1 18 18 GLY H H 18 8.328 8.328 8.569 -0.241 19557
547 1 14 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.962 -0.643 19557
548 1 14 . 1 1 19 19 CYS H H 19 7.270 7.270 7.927 -0.657 19557
549 1 14 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.081 0.309 19557
550 1 14 . 1 1 20 20 ARG H H 20 8.235 8.235 8.487 -0.252 19557
551 1 14 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.314 0.112 19557
552 1 14 . 1 1 21 21 CYS H H 21 8.472 8.472 8.188 0.284 19557
553 1 14 . 1 1 22 22 THR HA H 22 4.280 4.280 4.149 0.131 19557
554 1 14 . 1 1 22 22 THR H H 22 7.885 7.885 8.038 -0.153 19557
555 1 14 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.563 -0.230 19557
556 1 14 . 1 1 24 24 ALA H H 24 8.028 8.028 7.920 0.108 19557
557 1 14 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.490 -0.134 19557
558 1 14 . 1 1 25 25 ARG H H 25 7.983 7.983 8.061 -0.078 19557
559 1 14 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.682 -0.395 19557
560 1 14 . 1 1 30 30 ALA H H 30 8.295 8.295 7.770 0.525 19557
561 1 15 . 1 1 2 2 GLY H H 2 8.312 8.312 8.616 -0.304 19557
562 1 15 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.852 -0.147 19557
563 1 15 . 1 1 3 3 CYS H H 3 7.987 7.987 8.040 -0.053 19557
564 1 15 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.790 -0.035 19557
565 1 15 . 1 1 4 4 ASP H H 4 9.311 9.311 7.996 1.315 19557
566 1 15 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.518 -0.063 19557
567 1 15 . 1 1 5 5 ASP H H 5 8.710 8.710 8.571 0.139 19557
568 1 15 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.210 0.399 19557
569 1 15 . 1 1 6 6 LYS H H 6 8.652 8.652 7.983 0.669 19557
570 1 15 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.458 0.025 19557
571 1 15 . 1 1 7 7 CYS H H 7 7.698 7.698 7.670 0.028 19557
572 1 15 . 1 1 8 8 GLY H H 8 8.756 8.756 7.712 1.044 19557
573 1 15 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.693 -0.277 19557
574 1 15 . 1 1 9 9 CYS H H 9 8.516 8.516 7.514 1.002 19557
575 1 15 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.399 -0.255 19557
576 1 15 . 1 1 10 10 ALA H H 10 8.503 8.503 8.410 0.093 19557
577 1 15 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.399 -0.167 19557
578 1 15 . 1 1 11 11 VAL H H 11 7.998 7.998 8.177 -0.179 19557
579 1 15 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.474 0.272 19557
580 1 15 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.672 -0.114 19557
581 1 15 . 1 1 13 13 CYS H H 13 8.505 8.505 8.439 0.066 19557
582 1 15 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.563 -0.022 19557
583 1 15 . 1 1 15 15 GLY H H 15 8.816 8.816 7.358 1.458 19557
584 1 15 . 1 1 16 16 GLY H H 16 8.392 8.392 8.287 0.105 19557
585 1 15 . 1 1 17 17 THR HA H 17 4.285 4.285 4.281 0.004 19557
586 1 15 . 1 1 18 18 GLY H H 18 8.328 8.328 7.822 0.506 19557
587 1 15 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.815 -0.496 19557
588 1 15 . 1 1 19 19 CYS H H 19 7.270 7.270 7.558 -0.288 19557
589 1 15 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.273 0.117 19557
590 1 15 . 1 1 20 20 ARG H H 20 8.235 8.235 8.493 -0.258 19557
591 1 15 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.823 -0.397 19557
592 1 15 . 1 1 21 21 CYS H H 21 8.472 8.472 8.600 -0.128 19557
593 1 15 . 1 1 22 22 THR HA H 22 4.280 4.280 4.312 -0.032 19557
594 1 15 . 1 1 22 22 THR H H 22 7.885 7.885 8.076 -0.191 19557
595 1 15 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.146 0.187 19557
596 1 15 . 1 1 24 24 ALA H H 24 8.028 8.028 8.243 -0.215 19557
597 1 15 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.463 -0.107 19557
598 1 15 . 1 1 25 25 ARG H H 25 7.983 7.983 7.840 0.143 19557
599 1 15 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.394 -0.107 19557
600 1 15 . 1 1 30 30 ALA H H 30 8.295 8.295 8.529 -0.234 19557
601 1 16 . 1 1 2 2 GLY H H 2 8.312 8.312 8.496 -0.184 19557
602 1 16 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.825 -0.120 19557
603 1 16 . 1 1 3 3 CYS H H 3 7.987 7.987 8.420 -0.433 19557
604 1 16 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.703 0.052 19557
605 1 16 . 1 1 4 4 ASP H H 4 9.311 9.311 8.120 1.191 19557
606 1 16 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.602 -0.147 19557
607 1 16 . 1 1 5 5 ASP H H 5 8.710 8.710 8.550 0.160 19557
608 1 16 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.268 0.341 19557
609 1 16 . 1 1 6 6 LYS H H 6 8.652 8.652 8.654 -0.002 19557
610 1 16 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.338 0.145 19557
611 1 16 . 1 1 7 7 CYS H H 7 7.698 7.698 7.674 0.024 19557
612 1 16 . 1 1 8 8 GLY H H 8 8.756 8.756 7.982 0.774 19557
613 1 16 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.694 -0.278 19557
614 1 16 . 1 1 9 9 CYS H H 9 8.516 8.516 7.524 0.992 19557
615 1 16 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.348 -0.204 19557
616 1 16 . 1 1 10 10 ALA H H 10 8.503 8.503 8.586 -0.083 19557
617 1 16 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.352 -0.120 19557
618 1 16 . 1 1 11 11 VAL H H 11 7.998 7.998 8.049 -0.051 19557
619 1 16 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.495 0.251 19557
620 1 16 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.726 -0.168 19557
621 1 16 . 1 1 13 13 CYS H H 13 8.505 8.505 8.618 -0.113 19557
622 1 16 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.395 0.146 19557
623 1 16 . 1 1 15 15 GLY H H 15 8.816 8.816 8.118 0.698 19557
624 1 16 . 1 1 16 16 GLY H H 16 8.392 8.392 7.937 0.455 19557
625 1 16 . 1 1 17 17 THR HA H 17 4.285 4.285 4.117 0.168 19557
626 1 16 . 1 1 18 18 GLY H H 18 8.328 8.328 7.867 0.461 19557
627 1 16 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.844 -0.525 19557
628 1 16 . 1 1 19 19 CYS H H 19 7.270 7.270 7.643 -0.373 19557
629 1 16 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.337 0.053 19557
630 1 16 . 1 1 20 20 ARG H H 20 8.235 8.235 9.060 -0.825 19557
631 1 16 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.806 -0.380 19557
632 1 16 . 1 1 21 21 CYS H H 21 8.472 8.472 8.696 -0.224 19557
633 1 16 . 1 1 22 22 THR HA H 22 4.280 4.280 4.421 -0.141 19557
634 1 16 . 1 1 22 22 THR H H 22 7.885 7.885 7.979 -0.094 19557
635 1 16 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.556 -0.223 19557
636 1 16 . 1 1 24 24 ALA H H 24 8.028 8.028 7.409 0.619 19557
637 1 16 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.383 -0.027 19557
638 1 16 . 1 1 25 25 ARG H H 25 7.983 7.983 8.559 -0.576 19557
639 1 16 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.692 -0.405 19557
640 1 16 . 1 1 30 30 ALA H H 30 8.295 8.295 7.568 0.727 19557
641 1 17 . 1 1 2 2 GLY H H 2 8.312 8.312 8.256 0.056 19557
642 1 17 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.519 0.186 19557
643 1 17 . 1 1 3 3 CYS H H 3 7.987 7.987 8.434 -0.447 19557
644 1 17 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.695 0.060 19557
645 1 17 . 1 1 4 4 ASP H H 4 9.311 9.311 7.843 1.468 19557
646 1 17 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.775 -0.320 19557
647 1 17 . 1 1 5 5 ASP H H 5 8.710 8.710 8.565 0.145 19557
648 1 17 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.222 0.387 19557
649 1 17 . 1 1 6 6 LYS H H 6 8.652 8.652 8.612 0.040 19557
650 1 17 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.385 0.098 19557
651 1 17 . 1 1 7 7 CYS H H 7 7.698 7.698 7.485 0.213 19557
652 1 17 . 1 1 8 8 GLY H H 8 8.756 8.756 7.790 0.966 19557
653 1 17 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.745 -0.329 19557
654 1 17 . 1 1 9 9 CYS H H 9 8.516 8.516 7.382 1.134 19557
655 1 17 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.479 -0.335 19557
656 1 17 . 1 1 10 10 ALA H H 10 8.503 8.503 8.061 0.442 19557
657 1 17 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.411 -0.179 19557
658 1 17 . 1 1 11 11 VAL H H 11 7.998 7.998 7.923 0.075 19557
659 1 17 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.447 0.299 19557
660 1 17 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.711 -0.153 19557
661 1 17 . 1 1 13 13 CYS H H 13 8.505 8.505 8.616 -0.111 19557
662 1 17 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.569 -0.028 19557
663 1 17 . 1 1 15 15 GLY H H 15 8.816 8.816 8.093 0.723 19557
664 1 17 . 1 1 16 16 GLY H H 16 8.392 8.392 7.929 0.463 19557
665 1 17 . 1 1 17 17 THR HA H 17 4.285 4.285 4.124 0.161 19557
666 1 17 . 1 1 18 18 GLY H H 18 8.328 8.328 8.504 -0.176 19557
667 1 17 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.909 -0.590 19557
668 1 17 . 1 1 19 19 CYS H H 19 7.270 7.270 8.015 -0.745 19557
669 1 17 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.326 0.064 19557
670 1 17 . 1 1 20 20 ARG H H 20 8.235 8.235 8.418 -0.183 19557
671 1 17 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.690 -0.264 19557
672 1 17 . 1 1 21 21 CYS H H 21 8.472 8.472 8.626 -0.154 19557
673 1 17 . 1 1 22 22 THR HA H 22 4.280 4.280 4.283 -0.003 19557
674 1 17 . 1 1 22 22 THR H H 22 7.885 7.885 8.111 -0.226 19557
675 1 17 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.594 -0.261 19557
676 1 17 . 1 1 24 24 ALA H H 24 8.028 8.028 7.394 0.634 19557
677 1 17 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.376 -0.020 19557
678 1 17 . 1 1 25 25 ARG H H 25 7.983 7.983 8.558 -0.575 19557
679 1 17 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.580 -0.293 19557
680 1 17 . 1 1 30 30 ALA H H 30 8.295 8.295 8.522 -0.227 19557
681 1 18 . 1 1 2 2 GLY H H 2 8.312 8.312 8.060 0.252 19557
682 1 18 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.384 0.321 19557
683 1 18 . 1 1 3 3 CYS H H 3 7.987 7.987 8.157 -0.170 19557
684 1 18 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.678 0.077 19557
685 1 18 . 1 1 4 4 ASP H H 4 9.311 9.311 7.916 1.395 19557
686 1 18 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.365 0.090 19557
687 1 18 . 1 1 5 5 ASP H H 5 8.710 8.710 8.609 0.101 19557
688 1 18 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.298 0.311 19557
689 1 18 . 1 1 6 6 LYS H H 6 8.652 8.652 8.892 -0.240 19557
690 1 18 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.446 0.037 19557
691 1 18 . 1 1 7 7 CYS H H 7 7.698 7.698 7.692 0.006 19557
692 1 18 . 1 1 8 8 GLY H H 8 8.756 8.756 7.674 1.082 19557
693 1 18 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.804 -0.388 19557
694 1 18 . 1 1 9 9 CYS H H 9 8.516 8.516 7.357 1.159 19557
695 1 18 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.368 -0.224 19557
696 1 18 . 1 1 10 10 ALA H H 10 8.503 8.503 8.201 0.302 19557
697 1 18 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.379 -0.147 19557
698 1 18 . 1 1 11 11 VAL H H 11 7.998 7.998 8.231 -0.233 19557
699 1 18 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.492 0.254 19557
700 1 18 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.692 -0.134 19557
701 1 18 . 1 1 13 13 CYS H H 13 8.505 8.505 8.592 -0.087 19557
702 1 18 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.561 -0.020 19557
703 1 18 . 1 1 15 15 GLY H H 15 8.816 8.816 7.805 1.011 19557
704 1 18 . 1 1 16 16 GLY H H 16 8.392 8.392 7.483 0.909 19557
705 1 18 . 1 1 17 17 THR HA H 17 4.285 4.285 4.054 0.231 19557
706 1 18 . 1 1 18 18 GLY H H 18 8.328 8.328 7.877 0.451 19557
707 1 18 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.725 -0.406 19557
708 1 18 . 1 1 19 19 CYS H H 19 7.270 7.270 7.934 -0.664 19557
709 1 18 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.291 0.099 19557
710 1 18 . 1 1 20 20 ARG H H 20 8.235 8.235 8.067 0.168 19557
711 1 18 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.715 -0.289 19557
712 1 18 . 1 1 21 21 CYS H H 21 8.472 8.472 8.725 -0.253 19557
713 1 18 . 1 1 22 22 THR HA H 22 4.280 4.280 4.585 -0.305 19557
714 1 18 . 1 1 22 22 THR H H 22 7.885 7.885 7.756 0.129 19557
715 1 18 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.511 -0.178 19557
716 1 18 . 1 1 24 24 ALA H H 24 8.028 8.028 8.632 -0.604 19557
717 1 18 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.447 -0.092 19557
718 1 18 . 1 1 25 25 ARG H H 25 7.983 7.983 8.074 -0.091 19557
719 1 18 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.269 0.018 19557
720 1 18 . 1 1 30 30 ALA H H 30 8.295 8.295 8.608 -0.313 19557
721 1 19 . 1 1 2 2 GLY H H 2 8.312 8.312 7.989 0.323 19557
722 1 19 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.776 -0.071 19557
723 1 19 . 1 1 3 3 CYS H H 3 7.987 7.987 7.997 -0.010 19557
724 1 19 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.810 -0.055 19557
725 1 19 . 1 1 4 4 ASP H H 4 9.311 9.311 8.077 1.234 19557
726 1 19 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.450 0.005 19557
727 1 19 . 1 1 5 5 ASP H H 5 8.710 8.710 8.584 0.126 19557
728 1 19 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.236 0.373 19557
729 1 19 . 1 1 6 6 LYS H H 6 8.652 8.652 8.751 -0.099 19557
730 1 19 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.544 -0.061 19557
731 1 19 . 1 1 7 7 CYS H H 7 7.698 7.698 7.570 0.128 19557
732 1 19 . 1 1 8 8 GLY H H 8 8.756 8.756 7.918 0.838 19557
733 1 19 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.685 -0.269 19557
734 1 19 . 1 1 9 9 CYS H H 9 8.516 8.516 7.534 0.982 19557
735 1 19 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.312 -0.168 19557
736 1 19 . 1 1 10 10 ALA H H 10 8.503 8.503 8.486 0.017 19557
737 1 19 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.347 -0.115 19557
738 1 19 . 1 1 11 11 VAL H H 11 7.998 7.998 8.171 -0.173 19557
739 1 19 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.547 0.199 19557
740 1 19 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.573 -0.015 19557
741 1 19 . 1 1 13 13 CYS H H 13 8.505 8.505 8.573 -0.068 19557
742 1 19 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.366 0.175 19557
743 1 19 . 1 1 15 15 GLY H H 15 8.816 8.816 8.255 0.561 19557
744 1 19 . 1 1 16 16 GLY H H 16 8.392 8.392 7.820 0.572 19557
745 1 19 . 1 1 17 17 THR HA H 17 4.285 4.285 4.230 0.055 19557
746 1 19 . 1 1 18 18 GLY H H 18 8.328 8.328 7.870 0.458 19557
747 1 19 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.771 -0.452 19557
748 1 19 . 1 1 19 19 CYS H H 19 7.270 7.270 7.576 -0.306 19557
749 1 19 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.367 0.023 19557
750 1 19 . 1 1 20 20 ARG H H 20 8.235 8.235 8.995 -0.760 19557
751 1 19 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.647 -0.221 19557
752 1 19 . 1 1 21 21 CYS H H 21 8.472 8.472 8.406 0.066 19557
753 1 19 . 1 1 22 22 THR HA H 22 4.280 4.280 4.253 0.027 19557
754 1 19 . 1 1 22 22 THR H H 22 7.885 7.885 8.117 -0.232 19557
755 1 19 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.478 -0.145 19557
756 1 19 . 1 1 24 24 ALA H H 24 8.028 8.028 7.502 0.526 19557
757 1 19 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.593 -0.237 19557
758 1 19 . 1 1 25 25 ARG H H 25 7.983 7.983 8.449 -0.466 19557
759 1 19 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.347 -0.060 19557
760 1 19 . 1 1 30 30 ALA H H 30 8.295 8.295 8.766 -0.471 19557
761 1 20 . 1 1 2 2 GLY H H 2 8.312 8.312 8.258 0.054 19557
762 1 20 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.390 0.315 19557
763 1 20 . 1 1 3 3 CYS H H 3 7.987 7.987 8.240 -0.253 19557
764 1 20 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.675 0.080 19557
765 1 20 . 1 1 4 4 ASP H H 4 9.311 9.311 8.142 1.169 19557
766 1 20 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.519 -0.064 19557
767 1 20 . 1 1 5 5 ASP H H 5 8.710 8.710 8.619 0.091 19557
768 1 20 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.132 0.477 19557
769 1 20 . 1 1 6 6 LYS H H 6 8.652 8.652 8.067 0.585 19557
770 1 20 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.527 -0.045 19557
771 1 20 . 1 1 7 7 CYS H H 7 7.698 7.698 7.682 0.016 19557
772 1 20 . 1 1 8 8 GLY H H 8 8.756 8.756 7.914 0.842 19557
773 1 20 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.662 -0.246 19557
774 1 20 . 1 1 9 9 CYS H H 9 8.516 8.516 7.310 1.206 19557
775 1 20 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.303 -0.159 19557
776 1 20 . 1 1 10 10 ALA H H 10 8.503 8.503 8.497 0.006 19557
777 1 20 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.337 -0.105 19557
778 1 20 . 1 1 11 11 VAL H H 11 7.998 7.998 8.251 -0.253 19557
779 1 20 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.506 0.240 19557
780 1 20 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.743 -0.185 19557
781 1 20 . 1 1 13 13 CYS H H 13 8.505 8.505 8.621 -0.116 19557
782 1 20 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.543 -0.002 19557
783 1 20 . 1 1 15 15 GLY H H 15 8.816 8.816 7.642 1.174 19557
784 1 20 . 1 1 16 16 GLY H H 16 8.392 8.392 8.656 -0.264 19557
785 1 20 . 1 1 17 17 THR HA H 17 4.285 4.285 4.339 -0.054 19557
786 1 20 . 1 1 18 18 GLY H H 18 8.328 8.328 8.740 -0.412 19557
787 1 20 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.782 -0.463 19557
788 1 20 . 1 1 19 19 CYS H H 19 7.270 7.270 7.689 -0.419 19557
789 1 20 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.403 -0.013 19557
790 1 20 . 1 1 20 20 ARG H H 20 8.235 8.235 7.953 0.282 19557
791 1 20 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.618 -0.192 19557
792 1 20 . 1 1 21 21 CYS H H 21 8.472 8.472 8.608 -0.136 19557
793 1 20 . 1 1 22 22 THR HA H 22 4.280 4.280 4.208 0.072 19557
794 1 20 . 1 1 22 22 THR H H 22 7.885 7.885 7.972 -0.087 19557
795 1 20 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.294 0.039 19557
796 1 20 . 1 1 24 24 ALA H H 24 8.028 8.028 7.338 0.690 19557
797 1 20 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.551 -0.195 19557
798 1 20 . 1 1 25 25 ARG H H 25 7.983 7.983 7.592 0.391 19557
799 1 20 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.685 -0.398 19557
800 1 20 . 1 1 30 30 ALA H H 30 8.295 8.295 7.727 0.568 19557
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 19557
2 1 1 "Average Difference" HA 29 0.311 0.007 0.317 19557
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19557
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19557
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19557
6 1 1 "Average Difference" HN 21 0.569 -0.180 0.553 19557
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19557
8 1 2 "Average Difference" HA 29 0.292 0.016 0.296 19557
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19557
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19557
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19557
12 1 2 "Average Difference" HN 21 0.537 -0.174 0.520 19557
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19557
14 1 3 "Average Difference" HA 29 0.271 -0.079 0.264 19557
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19557
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19557
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19557
18 1 3 "Average Difference" HN 21 0.572 -0.194 0.551 19557
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19557
20 1 4 "Average Difference" HA 29 0.307 -0.018 0.312 19557
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19557
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19557
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19557
24 1 4 "Average Difference" HN 21 0.573 -0.229 0.539 19557
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19557
26 1 5 "Average Difference" HA 29 0.299 -0.032 0.303 19557
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19557
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19557
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19557
30 1 5 "Average Difference" HN 21 0.582 -0.235 0.545 19557
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19557
32 1 6 "Average Difference" HA 29 0.286 -0.015 0.290 19557
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19557
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19557
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19557
36 1 6 "Average Difference" HN 21 0.557 -0.275 0.496 19557
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19557
38 1 7 "Average Difference" HA 29 0.287 -0.023 0.291 19557
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19557
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19557
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19557
42 1 7 "Average Difference" HN 21 0.602 -0.270 0.552 19557
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19557
44 1 8 "Average Difference" HA 29 0.258 -0.055 0.257 19557
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19557
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19557
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19557
48 1 8 "Average Difference" HN 21 0.526 -0.105 0.528 19557
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19557
50 1 9 "Average Difference" HA 29 0.313 0.048 0.315 19557
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19557
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19557
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19557
54 1 9 "Average Difference" HN 21 0.569 -0.273 0.511 19557
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19557
56 1 10 "Average Difference" HA 29 0.269 -0.002 0.274 19557
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19557
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19557
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19557
60 1 10 "Average Difference" HN 21 0.573 -0.234 0.536 19557
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19557
62 1 11 "Average Difference" HA 29 0.297 -0.037 0.300 19557
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19557
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19557
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19557
66 1 11 "Average Difference" HN 21 0.640 -0.203 0.622 19557
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19557
68 1 12 "Average Difference" HA 29 0.276 0.008 0.281 19557
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19557
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19557
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19557
72 1 12 "Average Difference" HN 21 0.583 -0.266 0.532 19557
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19557
74 1 13 "Average Difference" HA 29 0.272 -0.005 0.276 19557
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19557
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19557
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19557
78 1 13 "Average Difference" HN 21 0.550 -0.152 0.542 19557
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19557
80 1 14 "Average Difference" HA 29 0.311 -0.022 0.316 19557
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19557
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19557
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19557
84 1 14 "Average Difference" HN 21 0.522 -0.163 0.508 19557
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19557
86 1 15 "Average Difference" HA 29 0.296 -0.049 0.297 19557
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19557
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19557
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19557
90 1 15 "Average Difference" HN 21 0.583 -0.225 0.552 19557
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19557
92 1 16 "Average Difference" HA 29 0.291 0.032 0.295 19557
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19557
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19557
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19557
96 1 16 "Average Difference" HN 21 0.548 -0.150 0.540 19557
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19557
98 1 17 "Average Difference" HA 29 0.300 -0.015 0.305 19557
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19557
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19557
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19557
102 1 17 "Average Difference" HN 21 0.580 -0.167 0.569 19557
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19557
104 1 18 "Average Difference" HA 29 0.281 -0.038 0.283 19557
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19557
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19557
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19557
108 1 18 "Average Difference" HN 21 0.611 -0.205 0.590 19557
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19557
110 1 19 "Average Difference" HA 29 0.282 -0.016 0.287 19557
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19557
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19557
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19557
114 1 19 "Average Difference" HN 21 0.520 -0.155 0.508 19557
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19557
116 1 20 "Average Difference" HA 29 0.320 -0.079 0.315 19557
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19557
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19557
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19557
120 1 20 "Average Difference" HN 21 0.572 -0.244 0.530 19557
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 19557
_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 8.312 8.312 8.177 0.135 19557
2 1 . 1 1 3 3 CYS HA H 3 4.705 4.705 4.684 0.021 19557
3 1 . 1 1 3 3 CYS H H 3 7.987 7.987 8.295 -0.308 19557
4 1 . 1 1 4 4 ASP HA H 4 4.755 4.755 4.750 0.005 19557
5 1 . 1 1 4 4 ASP H H 4 9.311 9.311 8.148 1.163 19557
6 1 . 1 1 5 5 ASP HA H 5 4.455 4.455 4.452 0.003 19557
7 1 . 1 1 5 5 ASP H H 5 8.710 8.710 8.591 0.119 19557
8 1 . 1 1 6 6 LYS HA H 6 4.609 4.609 4.232 0.377 19557
9 1 . 1 1 6 6 LYS H H 6 8.652 8.652 8.363 0.289 19557
10 1 . 1 1 7 7 CYS HA H 7 4.483 4.483 4.469 0.014 19557
11 1 . 1 1 7 7 CYS H H 7 7.698 7.698 7.743 -0.045 19557
12 1 . 1 1 8 8 GLY H H 8 8.756 8.756 7.783 0.973 19557
13 1 . 1 1 9 9 CYS HA H 9 4.416 4.416 4.669 -0.253 19557
14 1 . 1 1 9 9 CYS H H 9 8.516 8.516 7.408 1.108 19557
15 1 . 1 1 10 10 ALA HA H 10 4.144 4.144 4.336 -0.192 19557
16 1 . 1 1 10 10 ALA H H 10 8.503 8.503 8.225 0.278 19557
17 1 . 1 1 11 11 VAL HA H 11 4.232 4.232 4.380 -0.148 19557
18 1 . 1 1 11 11 VAL H H 11 7.998 7.998 8.242 -0.244 19557
19 1 . 1 1 12 12 PRO HA H 12 4.746 4.746 4.496 0.250 19557
20 1 . 1 1 13 13 CYS HA H 13 4.558 4.558 4.680 -0.122 19557
21 1 . 1 1 13 13 CYS H H 13 8.505 8.505 8.534 -0.029 19557
22 1 . 1 1 14 14 PRO HA H 14 4.541 4.541 4.505 0.036 19557
23 1 . 1 1 15 15 GLY H H 15 8.816 8.816 7.889 0.927 19557
24 1 . 1 1 16 16 GLY H H 16 8.392 8.392 7.950 0.442 19557
25 1 . 1 1 17 17 THR HA H 17 4.285 4.285 4.133 0.152 19557
26 1 . 1 1 18 18 GLY H H 18 8.328 8.328 8.064 0.264 19557
27 1 . 1 1 19 19 CYS HA H 19 4.319 4.319 4.830 -0.511 19557
28 1 . 1 1 19 19 CYS H H 19 7.270 7.270 7.788 -0.518 19557
29 1 . 1 1 20 20 ARG HA H 20 4.390 4.390 4.317 0.073 19557
30 1 . 1 1 20 20 ARG H H 20 8.235 8.235 8.332 -0.097 19557
31 1 . 1 1 21 21 CYS HA H 21 4.426 4.426 4.737 -0.311 19557
32 1 . 1 1 21 21 CYS H H 21 8.472 8.472 8.489 -0.017 19557
33 1 . 1 1 22 22 THR HA H 22 4.280 4.280 4.320 -0.040 19557
34 1 . 1 1 22 22 THR H H 22 7.885 7.885 7.954 -0.069 19557
35 1 . 1 1 24 24 ALA HA H 24 4.333 4.333 4.427 -0.094 19557
36 1 . 1 1 24 24 ALA H H 24 8.028 8.028 7.745 0.283 19557
37 1 . 1 1 25 25 ARG HA H 25 4.356 4.356 4.389 -0.033 19557
38 1 . 1 1 25 25 ARG H H 25 7.983 7.983 8.410 -0.427 19557
39 1 . 1 1 30 30 ALA HA H 30 4.287 4.287 4.471 -0.184 19557
40 1 . 1 1 30 30 ALA H H 30 8.295 8.295 8.217 0.078 19557
stop_
save_