data_25775
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25775
_Entry.PDB_ID 2N6O
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 25775
_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 CYS N N 2 120.899 120.899 118.617 2.282 25775
2 1 1 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.620 -0.962 25775
3 1 1 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.369 -2.444 25775
4 1 1 . 1 1 2 2 CYS CB C 2 41.735 41.735 30.238 11.497 25775
5 1 1 . 1 1 2 2 CYS H H 2 8.654 8.654 8.431 0.223 25775
6 1 1 . 1 1 3 3 ARG N N 3 120.390 120.390 120.211 0.179 25775
7 1 1 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.640 -0.211 25775
8 1 1 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.252 0.944 25775
9 1 1 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.384 -1.784 25775
10 1 1 . 1 1 3 3 ARG H H 3 8.889 8.889 8.701 0.188 25775
11 1 1 . 1 1 4 4 TYR N N 4 122.181 122.181 115.518 6.663 25775
12 1 1 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.565 -0.315 25775
13 1 1 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.058 -0.059 25775
14 1 1 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.407 0.619 25775
15 1 1 . 1 1 4 4 TYR H H 4 8.224 8.224 7.473 0.751 25775
16 1 1 . 1 1 5 5 LEU N N 5 121.370 121.370 120.777 0.593 25775
17 1 1 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.747 -0.380 25775
18 1 1 . 1 1 5 5 LEU CA C 5 56.665 56.665 56.985 -0.320 25775
19 1 1 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.892 0.361 25775
20 1 1 . 1 1 5 5 LEU H H 5 6.651 6.651 8.325 -1.674 25775
21 1 1 . 1 1 6 6 PHE N N 6 117.688 117.688 113.554 4.134 25775
22 1 1 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.678 -0.910 25775
23 1 1 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.590 1.690 25775
24 1 1 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.502 -2.431 25775
25 1 1 . 1 1 6 6 PHE H H 6 8.869 8.869 8.073 0.796 25775
26 1 1 . 1 1 7 7 GLY N N 7 110.878 110.878 107.583 3.295 25775
27 1 1 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.391 -0.011 25775
28 1 1 . 1 1 7 7 GLY H H 7 9.113 9.113 7.720 1.393 25775
29 1 1 . 1 1 8 8 GLY N N 8 111.369 111.369 107.421 3.948 25775
30 1 1 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.492 1.583 25775
31 1 1 . 1 1 8 8 GLY H H 8 8.729 8.729 7.691 1.038 25775
32 1 1 . 1 1 9 9 CYS N N 9 115.842 115.842 117.784 -1.942 25775
33 1 1 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.906 0.042 25775
34 1 1 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.793 -3.126 25775
35 1 1 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.852 16.436 25775
36 1 1 . 1 1 9 9 CYS H H 9 7.894 7.894 8.145 -0.251 25775
37 1 1 . 1 1 10 10 SER N N 10 113.651 113.651 115.419 -1.768 25775
38 1 1 . 1 1 10 10 SER HA H 10 4.591 4.591 4.641 -0.050 25775
39 1 1 . 1 1 10 10 SER CA C 10 58.794 58.794 59.499 -0.705 25775
40 1 1 . 1 1 10 10 SER CB C 10 64.468 64.468 64.053 0.415 25775
41 1 1 . 1 1 10 10 SER H H 10 8.986 8.986 8.646 0.340 25775
42 1 1 . 1 1 11 11 SER N N 11 115.967 115.967 114.137 1.830 25775
43 1 1 . 1 1 11 11 SER HA H 11 4.668 4.668 4.740 -0.072 25775
44 1 1 . 1 1 11 11 SER CA C 11 56.868 56.868 57.011 -0.143 25775
45 1 1 . 1 1 11 11 SER CB C 11 65.742 65.742 65.678 0.064 25775
46 1 1 . 1 1 11 11 SER H H 11 8.009 8.009 7.987 0.022 25775
47 1 1 . 1 1 12 12 THR N N 12 123.963 123.963 115.948 8.015 25775
48 1 1 . 1 1 12 12 THR HA H 12 3.808 3.808 4.111 -0.303 25775
49 1 1 . 1 1 12 12 THR CA C 12 67.368 67.368 64.278 3.090 25775
50 1 1 . 1 1 12 12 THR CB C 12 69.100 69.100 68.479 0.621 25775
51 1 1 . 1 1 12 12 THR H H 12 9.412 9.412 8.661 0.751 25775
52 1 1 . 1 1 13 13 SER N N 13 121.263 121.263 115.658 5.605 25775
53 1 1 . 1 1 13 13 SER HA H 13 4.012 4.012 4.183 -0.171 25775
54 1 1 . 1 1 13 13 SER CA C 13 60.968 60.968 60.101 0.867 25775
55 1 1 . 1 1 13 13 SER CB C 13 62.880 62.880 62.690 0.190 25775
56 1 1 . 1 1 13 13 SER H H 13 8.728 8.728 8.221 0.507 25775
57 1 1 . 1 1 14 14 ASP N N 14 118.050 118.050 120.966 -2.916 25775
58 1 1 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.658 -0.421 25775
59 1 1 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.449 -1.459 25775
60 1 1 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.629 -4.213 25775
61 1 1 . 1 1 14 14 ASP H H 14 8.619 8.619 7.611 1.008 25775
62 1 1 . 1 1 15 15 CYS N N 15 117.779 117.779 118.956 -1.177 25775
63 1 1 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.328 0.793 25775
64 1 1 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.110 -6.512 25775
65 1 1 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.878 15.082 25775
66 1 1 . 1 1 15 15 CYS H H 15 8.058 8.058 7.625 0.433 25775
67 1 1 . 1 1 16 16 CYS N N 16 120.718 120.718 123.255 -2.537 25775
68 1 1 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.503 0.077 25775
69 1 1 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.560 -4.944 25775
70 1 1 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.848 11.537 25775
71 1 1 . 1 1 16 16 CYS H H 16 9.093 9.093 8.786 0.307 25775
72 1 1 . 1 1 17 17 LYS N N 17 117.710 117.710 121.452 -3.742 25775
73 1 1 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.465 -0.526 25775
74 1 1 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.359 2.719 25775
75 1 1 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.602 0.876 25775
76 1 1 . 1 1 17 17 LYS H H 17 7.907 7.907 8.207 -0.300 25775
77 1 1 . 1 1 18 18 HIS N N 18 112.192 112.192 115.395 -3.203 25775
78 1 1 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.238 -0.038 25775
79 1 1 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.269 1.579 25775
80 1 1 . 1 1 18 18 HIS CB C 18 26.901 26.901 29.319 -2.418 25775
81 1 1 . 1 1 18 18 HIS H H 18 8.578 8.578 8.305 0.273 25775
82 1 1 . 1 1 19 19 LEU N N 19 118.755 118.755 116.776 1.979 25775
83 1 1 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.841 0.215 25775
84 1 1 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.488 1.551 25775
85 1 1 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.794 -1.427 25775
86 1 1 . 1 1 19 19 LEU H H 19 7.894 7.894 7.507 0.387 25775
87 1 1 . 1 1 20 20 SER N N 20 113.497 113.497 115.801 -2.304 25775
88 1 1 . 1 1 20 20 SER HA H 20 4.848 4.848 4.508 0.340 25775
89 1 1 . 1 1 20 20 SER CA C 20 56.143 56.143 56.518 -0.375 25775
90 1 1 . 1 1 20 20 SER CB C 20 65.870 65.870 64.637 1.233 25775
91 1 1 . 1 1 20 20 SER H H 20 9.339 9.339 8.579 0.760 25775
92 1 1 . 1 1 21 21 CYS N N 21 123.504 123.504 125.110 -1.606 25775
93 1 1 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.214 0.424 25775
94 1 1 . 1 1 21 21 CYS CA C 21 53.379 53.379 59.189 -5.810 25775
95 1 1 . 1 1 21 21 CYS CB C 21 41.159 41.159 25.732 15.427 25775
96 1 1 . 1 1 21 21 CYS H H 21 8.700 8.700 8.931 -0.231 25775
97 1 1 . 1 1 22 22 ARG N N 22 131.352 131.352 128.065 3.287 25775
98 1 1 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.503 -0.319 25775
99 1 1 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.531 0.548 25775
100 1 1 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.754 -1.379 25775
101 1 1 . 1 1 22 22 ARG H H 22 8.425 8.425 8.089 0.336 25775
102 1 1 . 1 1 23 23 SER N N 23 116.579 116.579 117.959 -1.380 25775
103 1 1 . 1 1 23 23 SER HA H 23 4.259 4.259 4.351 -0.092 25775
104 1 1 . 1 1 23 23 SER CA C 23 60.879 60.879 59.796 1.083 25775
105 1 1 . 1 1 23 23 SER CB C 23 63.926 63.926 62.881 1.045 25775
106 1 1 . 1 1 23 23 SER H H 23 8.191 8.191 8.726 -0.535 25775
107 1 1 . 1 1 24 24 ASP N N 24 118.399 118.399 121.895 -3.496 25775
108 1 1 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.572 0.019 25775
109 1 1 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.754 -1.067 25775
110 1 1 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.340 -0.802 25775
111 1 1 . 1 1 24 24 ASP H H 24 7.746 7.746 8.542 -0.796 25775
112 1 1 . 1 1 25 25 TRP N N 25 120.253 120.253 119.150 1.103 25775
113 1 1 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.726 -0.055 25775
114 1 1 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.399 -2.741 25775
115 1 1 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.286 0.758 25775
116 1 1 . 1 1 25 25 TRP H H 25 7.962 7.962 8.080 -0.118 25775
117 1 1 . 1 1 26 26 LYS N N 26 114.205 114.205 116.440 -2.235 25775
118 1 1 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.144 -0.234 25775
119 1 1 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.284 -0.637 25775
120 1 1 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.344 -1.359 25775
121 1 1 . 1 1 26 26 LYS H H 26 8.161 8.161 8.375 -0.214 25775
122 1 1 . 1 1 27 27 TYR N N 27 111.730 111.730 113.820 -2.090 25775
123 1 1 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.046 0.476 25775
124 1 1 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.772 0.082 25775
125 1 1 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.738 0.532 25775
126 1 1 . 1 1 27 27 TYR H H 27 6.879 6.879 7.942 -1.063 25775
127 1 1 . 1 1 28 28 CYS N N 28 119.698 119.698 121.543 -1.845 25775
128 1 1 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.264 0.599 25775
129 1 1 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.399 -4.662 25775
130 1 1 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.984 14.029 25775
131 1 1 . 1 1 28 28 CYS H H 28 8.916 8.916 8.534 0.382 25775
132 1 1 . 1 1 29 29 ALA N N 29 128.521 128.521 124.987 3.534 25775
133 1 1 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.417 0.227 25775
134 1 1 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.687 -0.168 25775
135 1 1 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.774 1.274 25775
136 1 1 . 1 1 29 29 ALA H H 29 9.484 9.484 7.998 1.486 25775
137 1 1 . 1 1 30 30 TRP N N 30 120.346 120.346 122.732 -2.386 25775
138 1 1 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.509 0.237 25775
139 1 1 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.421 -0.423 25775
140 1 1 . 1 1 30 30 TRP H H 30 7.950 7.950 8.605 -0.655 25775
141 1 1 . 1 1 31 31 ASP N N 31 123.675 123.675 117.396 6.279 25775
142 1 1 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.274 0.368 25775
143 1 1 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.089 0.053 25775
144 1 1 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.048 -0.100 25775
145 1 1 . 1 1 31 31 ASP H H 31 8.669 8.669 9.209 -0.540 25775
146 1 1 . 1 1 32 32 GLY N N 32 109.050 109.050 106.271 2.779 25775
147 1 1 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.684 0.862 25775
148 1 1 . 1 1 32 32 GLY H H 32 7.944 7.944 7.754 0.190 25775
149 1 1 . 1 1 33 33 THR N N 33 112.503 112.503 114.155 -1.652 25775
150 1 1 . 1 1 33 33 THR HA H 33 4.316 4.316 4.059 0.257 25775
151 1 1 . 1 1 33 33 THR CA C 33 62.025 62.025 63.066 -1.041 25775
152 1 1 . 1 1 33 33 THR CB C 33 69.946 69.946 69.248 0.699 25775
153 1 1 . 1 1 33 33 THR H H 33 7.944 7.944 7.998 -0.054 25775
154 1 1 . 1 1 34 34 PHE N N 34 121.576 121.576 121.575 0.001 25775
155 1 1 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.759 -0.135 25775
156 1 1 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.273 0.122 25775
157 1 1 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.549 -0.547 25775
158 1 1 . 1 1 34 34 PHE H H 34 8.067 8.067 8.505 -0.438 25775
159 1 2 . 1 1 2 2 CYS N N 2 120.899 120.899 118.373 2.526 25775
160 1 2 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.467 -0.809 25775
161 1 2 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.324 -2.399 25775
162 1 2 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.358 12.377 25775
163 1 2 . 1 1 2 2 CYS H H 2 8.654 8.654 8.304 0.350 25775
164 1 2 . 1 1 3 3 ARG N N 3 120.390 120.390 119.945 0.445 25775
165 1 2 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.584 -0.155 25775
166 1 2 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.382 0.814 25775
167 1 2 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.138 -1.538 25775
168 1 2 . 1 1 3 3 ARG H H 3 8.889 8.889 8.590 0.299 25775
169 1 2 . 1 1 4 4 TYR N N 4 122.181 122.181 114.984 7.197 25775
170 1 2 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.540 -0.290 25775
171 1 2 . 1 1 4 4 TYR CA C 4 55.999 55.999 55.719 0.280 25775
172 1 2 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.485 0.541 25775
173 1 2 . 1 1 4 4 TYR H H 4 8.224 8.224 7.389 0.835 25775
174 1 2 . 1 1 5 5 LEU N N 5 121.370 121.370 120.285 1.085 25775
175 1 2 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.747 -0.380 25775
176 1 2 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.151 -0.486 25775
177 1 2 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.971 0.282 25775
178 1 2 . 1 1 5 5 LEU H H 5 6.651 6.651 8.242 -1.591 25775
179 1 2 . 1 1 6 6 PHE N N 6 117.688 117.688 113.932 3.756 25775
180 1 2 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.649 -0.881 25775
181 1 2 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.585 1.694 25775
182 1 2 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.169 -2.098 25775
183 1 2 . 1 1 6 6 PHE H H 6 8.869 8.869 8.064 0.805 25775
184 1 2 . 1 1 7 7 GLY N N 7 110.878 110.878 107.559 3.319 25775
185 1 2 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.671 -0.291 25775
186 1 2 . 1 1 7 7 GLY H H 7 9.113 9.113 7.677 1.436 25775
187 1 2 . 1 1 8 8 GLY N N 8 111.369 111.369 108.456 2.913 25775
188 1 2 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.438 1.637 25775
189 1 2 . 1 1 8 8 GLY H H 8 8.729 8.729 7.594 1.135 25775
190 1 2 . 1 1 9 9 CYS N N 9 115.842 115.842 118.143 -2.301 25775
191 1 2 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.208 -0.260 25775
192 1 2 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.584 -2.917 25775
193 1 2 . 1 1 9 9 CYS CB C 9 47.288 47.288 31.343 15.945 25775
194 1 2 . 1 1 9 9 CYS H H 9 7.894 7.894 7.968 -0.074 25775
195 1 2 . 1 1 10 10 SER N N 10 113.651 113.651 114.691 -1.040 25775
196 1 2 . 1 1 10 10 SER HA H 10 4.591 4.591 4.620 -0.029 25775
197 1 2 . 1 1 10 10 SER CA C 10 58.794 58.794 58.794 0.000 25775
198 1 2 . 1 1 10 10 SER CB C 10 64.468 64.468 64.565 -0.097 25775
199 1 2 . 1 1 10 10 SER H H 10 8.986 8.986 8.468 0.518 25775
200 1 2 . 1 1 11 11 SER N N 11 115.967 115.967 116.222 -0.255 25775
201 1 2 . 1 1 11 11 SER HA H 11 4.668 4.668 4.774 -0.106 25775
202 1 2 . 1 1 11 11 SER CA C 11 56.868 56.868 56.218 0.650 25775
203 1 2 . 1 1 11 11 SER CB C 11 65.742 65.742 64.630 1.112 25775
204 1 2 . 1 1 11 11 SER H H 11 8.009 8.009 7.623 0.386 25775
205 1 2 . 1 1 12 12 THR N N 12 123.963 123.963 115.810 8.153 25775
206 1 2 . 1 1 12 12 THR HA H 12 3.808 3.808 4.148 -0.340 25775
207 1 2 . 1 1 12 12 THR CA C 12 67.368 67.368 64.023 3.345 25775
208 1 2 . 1 1 12 12 THR CB C 12 69.100 69.100 68.713 0.387 25775
209 1 2 . 1 1 12 12 THR H H 12 9.412 9.412 8.682 0.730 25775
210 1 2 . 1 1 13 13 SER N N 13 121.263 121.263 116.183 5.080 25775
211 1 2 . 1 1 13 13 SER HA H 13 4.012 4.012 4.195 -0.183 25775
212 1 2 . 1 1 13 13 SER CA C 13 60.968 60.968 60.513 0.455 25775
213 1 2 . 1 1 13 13 SER CB C 13 62.880 62.880 62.866 0.014 25775
214 1 2 . 1 1 13 13 SER H H 13 8.728 8.728 7.976 0.752 25775
215 1 2 . 1 1 14 14 ASP N N 14 118.050 118.050 120.174 -2.124 25775
216 1 2 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.529 -0.292 25775
217 1 2 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.520 -1.530 25775
218 1 2 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.367 -3.950 25775
219 1 2 . 1 1 14 14 ASP H H 14 8.619 8.619 7.659 0.960 25775
220 1 2 . 1 1 15 15 CYS N N 15 117.779 117.779 119.304 -1.525 25775
221 1 2 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.312 0.809 25775
222 1 2 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.188 -6.590 25775
223 1 2 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.640 15.320 25775
224 1 2 . 1 1 15 15 CYS H H 15 8.058 8.058 7.637 0.421 25775
225 1 2 . 1 1 16 16 CYS N N 16 120.718 120.718 123.494 -2.776 25775
226 1 2 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.438 0.142 25775
227 1 2 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.627 -5.011 25775
228 1 2 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.863 11.522 25775
229 1 2 . 1 1 16 16 CYS H H 16 9.093 9.093 8.736 0.357 25775
230 1 2 . 1 1 17 17 LYS N N 17 117.710 117.710 121.668 -3.958 25775
231 1 2 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.081 -0.142 25775
232 1 2 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.927 2.151 25775
233 1 2 . 1 1 17 17 LYS CB C 17 32.479 32.479 32.071 0.408 25775
234 1 2 . 1 1 17 17 LYS H H 17 7.907 7.907 8.072 -0.165 25775
235 1 2 . 1 1 18 18 HIS N N 18 112.192 112.192 112.992 -0.800 25775
236 1 2 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.218 -0.018 25775
237 1 2 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.375 1.473 25775
238 1 2 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.543 -0.642 25775
239 1 2 . 1 1 18 18 HIS H H 18 8.578 8.578 8.011 0.567 25775
240 1 2 . 1 1 19 19 LEU N N 19 118.755 118.755 117.600 1.155 25775
241 1 2 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.879 0.177 25775
242 1 2 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.912 1.127 25775
243 1 2 . 1 1 19 19 LEU CB C 19 44.366 44.366 46.285 -1.919 25775
244 1 2 . 1 1 19 19 LEU H H 19 7.894 7.894 7.612 0.282 25775
245 1 2 . 1 1 20 20 SER N N 20 113.497 113.497 115.472 -1.975 25775
246 1 2 . 1 1 20 20 SER HA H 20 4.848 4.848 4.569 0.279 25775
247 1 2 . 1 1 20 20 SER CA C 20 56.143 56.143 57.090 -0.947 25775
248 1 2 . 1 1 20 20 SER CB C 20 65.870 65.870 64.784 1.086 25775
249 1 2 . 1 1 20 20 SER H H 20 9.339 9.339 8.440 0.899 25775
250 1 2 . 1 1 21 21 CYS N N 21 123.504 123.504 125.690 -2.186 25775
251 1 2 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.280 0.358 25775
252 1 2 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.800 -5.421 25775
253 1 2 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.375 14.784 25775
254 1 2 . 1 1 21 21 CYS H H 21 8.700 8.700 8.902 -0.202 25775
255 1 2 . 1 1 22 22 ARG N N 22 131.352 131.352 128.185 3.167 25775
256 1 2 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.555 -0.371 25775
257 1 2 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.593 0.486 25775
258 1 2 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.605 -1.230 25775
259 1 2 . 1 1 22 22 ARG H H 22 8.425 8.425 8.136 0.289 25775
260 1 2 . 1 1 23 23 SER N N 23 116.579 116.579 117.534 -0.955 25775
261 1 2 . 1 1 23 23 SER HA H 23 4.259 4.259 4.323 -0.064 25775
262 1 2 . 1 1 23 23 SER CA C 23 60.879 60.879 59.825 1.054 25775
263 1 2 . 1 1 23 23 SER CB C 23 63.926 63.926 63.156 0.770 25775
264 1 2 . 1 1 23 23 SER H H 23 8.191 8.191 8.889 -0.698 25775
265 1 2 . 1 1 24 24 ASP N N 24 118.399 118.399 121.468 -3.069 25775
266 1 2 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.692 -0.101 25775
267 1 2 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.755 -1.068 25775
268 1 2 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.895 -1.357 25775
269 1 2 . 1 1 24 24 ASP H H 24 7.746 7.746 8.657 -0.911 25775
270 1 2 . 1 1 25 25 TRP N N 25 120.253 120.253 118.657 1.596 25775
271 1 2 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.713 -0.042 25775
272 1 2 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.146 -2.488 25775
273 1 2 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.371 0.673 25775
274 1 2 . 1 1 25 25 TRP H H 25 7.962 7.962 8.060 -0.098 25775
275 1 2 . 1 1 26 26 LYS N N 26 114.205 114.205 116.373 -2.168 25775
276 1 2 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.157 -0.247 25775
277 1 2 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.280 -0.633 25775
278 1 2 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.371 -1.386 25775
279 1 2 . 1 1 26 26 LYS H H 26 8.161 8.161 8.399 -0.238 25775
280 1 2 . 1 1 27 27 TYR N N 27 111.730 111.730 113.079 -1.349 25775
281 1 2 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.018 0.504 25775
282 1 2 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.533 0.321 25775
283 1 2 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.742 0.528 25775
284 1 2 . 1 1 27 27 TYR H H 27 6.879 6.879 7.940 -1.061 25775
285 1 2 . 1 1 28 28 CYS N N 28 119.698 119.698 120.993 -1.295 25775
286 1 2 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.432 0.431 25775
287 1 2 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.405 -4.668 25775
288 1 2 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.880 14.133 25775
289 1 2 . 1 1 28 28 CYS H H 28 8.916 8.916 8.618 0.298 25775
290 1 2 . 1 1 29 29 ALA N N 29 128.521 128.521 125.319 3.202 25775
291 1 2 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.433 0.211 25775
292 1 2 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.468 0.050 25775
293 1 2 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.639 1.409 25775
294 1 2 . 1 1 29 29 ALA H H 29 9.484 9.484 8.024 1.460 25775
295 1 2 . 1 1 30 30 TRP N N 30 120.346 120.346 122.766 -2.420 25775
296 1 2 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.417 0.329 25775
297 1 2 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.117 -0.119 25775
298 1 2 . 1 1 30 30 TRP H H 30 7.950 7.950 8.354 -0.404 25775
299 1 2 . 1 1 31 31 ASP N N 31 123.675 123.675 119.261 4.414 25775
300 1 2 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.279 0.363 25775
301 1 2 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.632 0.510 25775
302 1 2 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.862 -0.914 25775
303 1 2 . 1 1 31 31 ASP H H 31 8.669 8.669 9.276 -0.607 25775
304 1 2 . 1 1 32 32 GLY N N 32 109.050 109.050 104.773 4.277 25775
305 1 2 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.267 0.279 25775
306 1 2 . 1 1 32 32 GLY H H 32 7.944 7.944 8.046 -0.102 25775
307 1 2 . 1 1 33 33 THR N N 33 112.503 112.503 113.291 -0.788 25775
308 1 2 . 1 1 33 33 THR HA H 33 4.316 4.316 4.070 0.246 25775
309 1 2 . 1 1 33 33 THR CA C 33 62.025 62.025 61.834 0.191 25775
310 1 2 . 1 1 33 33 THR CB C 33 69.946 69.946 69.728 0.218 25775
311 1 2 . 1 1 33 33 THR H H 33 7.944 7.944 7.899 0.045 25775
312 1 2 . 1 1 34 34 PHE N N 34 121.576 121.576 121.764 -0.188 25775
313 1 2 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.803 -0.179 25775
314 1 2 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.203 0.192 25775
315 1 2 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.173 -0.171 25775
316 1 2 . 1 1 34 34 PHE H H 34 8.067 8.067 8.214 -0.147 25775
317 1 3 . 1 1 2 2 CYS N N 2 120.899 120.899 122.276 -1.377 25775
318 1 3 . 1 1 2 2 CYS HA H 2 4.658 4.658 4.876 -0.218 25775
319 1 3 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.819 -2.894 25775
320 1 3 . 1 1 2 2 CYS CB C 2 41.735 41.735 28.157 13.578 25775
321 1 3 . 1 1 2 2 CYS H H 2 8.654 8.654 8.499 0.155 25775
322 1 3 . 1 1 3 3 ARG N N 3 120.390 120.390 120.512 -0.122 25775
323 1 3 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.547 -0.118 25775
324 1 3 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.365 0.831 25775
325 1 3 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.116 -1.516 25775
326 1 3 . 1 1 3 3 ARG H H 3 8.889 8.889 8.562 0.327 25775
327 1 3 . 1 1 4 4 TYR N N 4 122.181 122.181 116.694 5.487 25775
328 1 3 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.570 -0.320 25775
329 1 3 . 1 1 4 4 TYR CA C 4 55.999 55.999 55.865 0.134 25775
330 1 3 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.485 0.541 25775
331 1 3 . 1 1 4 4 TYR H H 4 8.224 8.224 7.448 0.776 25775
332 1 3 . 1 1 5 5 LEU N N 5 121.370 121.370 120.175 1.195 25775
333 1 3 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.738 -0.371 25775
334 1 3 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.662 -0.997 25775
335 1 3 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.872 0.381 25775
336 1 3 . 1 1 5 5 LEU H H 5 6.651 6.651 8.257 -1.606 25775
337 1 3 . 1 1 6 6 PHE N N 6 117.688 117.688 113.991 3.697 25775
338 1 3 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.619 -0.851 25775
339 1 3 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.134 1.145 25775
340 1 3 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.560 -2.489 25775
341 1 3 . 1 1 6 6 PHE H H 6 8.869 8.869 8.278 0.591 25775
342 1 3 . 1 1 7 7 GLY N N 7 110.878 110.878 107.619 3.259 25775
343 1 3 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.728 -0.348 25775
344 1 3 . 1 1 7 7 GLY H H 7 9.113 9.113 7.785 1.328 25775
345 1 3 . 1 1 8 8 GLY N N 8 111.369 111.369 108.705 2.664 25775
346 1 3 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.455 1.620 25775
347 1 3 . 1 1 8 8 GLY H H 8 8.729 8.729 7.630 1.099 25775
348 1 3 . 1 1 9 9 CYS N N 9 115.842 115.842 117.872 -2.030 25775
349 1 3 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.152 -0.204 25775
350 1 3 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.568 -2.901 25775
351 1 3 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.946 16.342 25775
352 1 3 . 1 1 9 9 CYS H H 9 7.894 7.894 7.995 -0.101 25775
353 1 3 . 1 1 10 10 SER N N 10 113.651 113.651 115.757 -2.106 25775
354 1 3 . 1 1 10 10 SER HA H 10 4.591 4.591 4.692 -0.101 25775
355 1 3 . 1 1 10 10 SER CA C 10 58.794 58.794 59.278 -0.484 25775
356 1 3 . 1 1 10 10 SER CB C 10 64.468 64.468 64.962 -0.494 25775
357 1 3 . 1 1 10 10 SER H H 10 8.986 8.986 8.617 0.369 25775
358 1 3 . 1 1 11 11 SER N N 11 115.967 115.967 113.602 2.365 25775
359 1 3 . 1 1 11 11 SER HA H 11 4.668 4.668 4.720 -0.052 25775
360 1 3 . 1 1 11 11 SER CA C 11 56.868 56.868 56.029 0.839 25775
361 1 3 . 1 1 11 11 SER CB C 11 65.742 65.742 64.703 1.039 25775
362 1 3 . 1 1 11 11 SER H H 11 8.009 8.009 7.771 0.238 25775
363 1 3 . 1 1 12 12 THR N N 12 123.963 123.963 115.941 8.022 25775
364 1 3 . 1 1 12 12 THR HA H 12 3.808 3.808 4.145 -0.337 25775
365 1 3 . 1 1 12 12 THR CA C 12 67.368 67.368 64.709 2.659 25775
366 1 3 . 1 1 12 12 THR CB C 12 69.100 69.100 68.410 0.690 25775
367 1 3 . 1 1 12 12 THR H H 12 9.412 9.412 8.702 0.710 25775
368 1 3 . 1 1 13 13 SER N N 13 121.263 121.263 117.005 4.258 25775
369 1 3 . 1 1 13 13 SER HA H 13 4.012 4.012 4.215 -0.203 25775
370 1 3 . 1 1 13 13 SER CA C 13 60.968 60.968 60.542 0.426 25775
371 1 3 . 1 1 13 13 SER CB C 13 62.880 62.880 62.859 0.021 25775
372 1 3 . 1 1 13 13 SER H H 13 8.728 8.728 7.722 1.006 25775
373 1 3 . 1 1 14 14 ASP N N 14 118.050 118.050 120.832 -2.782 25775
374 1 3 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.540 -0.303 25775
375 1 3 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.312 -1.321 25775
376 1 3 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.328 -3.912 25775
377 1 3 . 1 1 14 14 ASP H H 14 8.619 8.619 7.739 0.880 25775
378 1 3 . 1 1 15 15 CYS N N 15 117.779 117.779 119.299 -1.520 25775
379 1 3 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.338 0.782 25775
380 1 3 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.112 -6.514 25775
381 1 3 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.635 15.325 25775
382 1 3 . 1 1 15 15 CYS H H 15 8.058 8.058 7.654 0.404 25775
383 1 3 . 1 1 16 16 CYS N N 16 120.718 120.718 123.981 -3.263 25775
384 1 3 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.442 0.138 25775
385 1 3 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.875 -5.259 25775
386 1 3 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.837 11.547 25775
387 1 3 . 1 1 16 16 CYS H H 16 9.093 9.093 8.798 0.295 25775
388 1 3 . 1 1 17 17 LYS N N 17 117.710 117.710 120.990 -3.280 25775
389 1 3 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.549 -0.610 25775
390 1 3 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.922 3.156 25775
391 1 3 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.225 1.254 25775
392 1 3 . 1 1 17 17 LYS H H 17 7.907 7.907 8.169 -0.262 25775
393 1 3 . 1 1 18 18 HIS N N 18 112.192 112.192 113.300 -1.108 25775
394 1 3 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.288 -0.088 25775
395 1 3 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.553 1.295 25775
396 1 3 . 1 1 18 18 HIS CB C 18 26.901 26.901 28.403 -1.502 25775
397 1 3 . 1 1 18 18 HIS H H 18 8.578 8.578 8.470 0.108 25775
398 1 3 . 1 1 19 19 LEU N N 19 118.755 118.755 117.250 1.505 25775
399 1 3 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.930 0.126 25775
400 1 3 . 1 1 19 19 LEU CA C 19 54.039 54.039 53.066 0.973 25775
401 1 3 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.704 -1.338 25775
402 1 3 . 1 1 19 19 LEU H H 19 7.894 7.894 7.680 0.214 25775
403 1 3 . 1 1 20 20 SER N N 20 113.497 113.497 115.681 -2.184 25775
404 1 3 . 1 1 20 20 SER HA H 20 4.848 4.848 4.589 0.259 25775
405 1 3 . 1 1 20 20 SER CA C 20 56.143 56.143 57.287 -1.144 25775
406 1 3 . 1 1 20 20 SER CB C 20 65.870 65.870 64.698 1.172 25775
407 1 3 . 1 1 20 20 SER H H 20 9.339 9.339 8.573 0.766 25775
408 1 3 . 1 1 21 21 CYS N N 21 123.504 123.504 125.958 -2.454 25775
409 1 3 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.249 0.389 25775
410 1 3 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.861 -5.482 25775
411 1 3 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.080 15.079 25775
412 1 3 . 1 1 21 21 CYS H H 21 8.700 8.700 8.962 -0.262 25775
413 1 3 . 1 1 22 22 ARG N N 22 131.352 131.352 128.615 2.737 25775
414 1 3 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.476 -0.292 25775
415 1 3 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.963 0.116 25775
416 1 3 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.268 -0.893 25775
417 1 3 . 1 1 22 22 ARG H H 22 8.425 8.425 8.098 0.327 25775
418 1 3 . 1 1 23 23 SER N N 23 116.579 116.579 117.876 -1.297 25775
419 1 3 . 1 1 23 23 SER HA H 23 4.259 4.259 4.333 -0.074 25775
420 1 3 . 1 1 23 23 SER CA C 23 60.879 60.879 59.783 1.096 25775
421 1 3 . 1 1 23 23 SER CB C 23 63.926 63.926 63.037 0.889 25775
422 1 3 . 1 1 23 23 SER H H 23 8.191 8.191 8.755 -0.564 25775
423 1 3 . 1 1 24 24 ASP N N 24 118.399 118.399 121.905 -3.506 25775
424 1 3 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.558 0.033 25775
425 1 3 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.505 -0.818 25775
426 1 3 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.796 -1.258 25775
427 1 3 . 1 1 24 24 ASP H H 24 7.746 7.746 8.333 -0.587 25775
428 1 3 . 1 1 25 25 TRP N N 25 120.253 120.253 118.288 1.965 25775
429 1 3 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.732 -0.061 25775
430 1 3 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.038 -2.381 25775
431 1 3 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.383 0.662 25775
432 1 3 . 1 1 25 25 TRP H H 25 7.962 7.962 7.991 -0.029 25775
433 1 3 . 1 1 26 26 LYS N N 26 114.205 114.205 116.306 -2.101 25775
434 1 3 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.138 -0.228 25775
435 1 3 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.191 -0.544 25775
436 1 3 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.573 -1.588 25775
437 1 3 . 1 1 26 26 LYS H H 26 8.161 8.161 8.282 -0.121 25775
438 1 3 . 1 1 27 27 TYR N N 27 111.730 111.730 113.178 -1.448 25775
439 1 3 . 1 1 27 27 TYR HA H 27 5.522 5.522 4.986 0.536 25775
440 1 3 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.607 0.247 25775
441 1 3 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.664 0.606 25775
442 1 3 . 1 1 27 27 TYR H H 27 6.879 6.879 7.897 -1.018 25775
443 1 3 . 1 1 28 28 CYS N N 28 119.698 119.698 121.126 -1.428 25775
444 1 3 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.339 0.524 25775
445 1 3 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.506 -4.769 25775
446 1 3 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.809 14.204 25775
447 1 3 . 1 1 28 28 CYS H H 28 8.916 8.916 8.609 0.307 25775
448 1 3 . 1 1 29 29 ALA N N 29 128.521 128.521 125.336 3.185 25775
449 1 3 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.464 0.180 25775
450 1 3 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.538 -0.021 25775
451 1 3 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.819 1.229 25775
452 1 3 . 1 1 29 29 ALA H H 29 9.484 9.484 8.103 1.381 25775
453 1 3 . 1 1 30 30 TRP N N 30 120.346 120.346 123.031 -2.685 25775
454 1 3 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.581 0.165 25775
455 1 3 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.778 -0.780 25775
456 1 3 . 1 1 30 30 TRP H H 30 7.950 7.950 8.677 -0.727 25775
457 1 3 . 1 1 31 31 ASP N N 31 123.675 123.675 117.941 5.734 25775
458 1 3 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.312 0.330 25775
459 1 3 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.037 0.105 25775
460 1 3 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.871 -0.923 25775
461 1 3 . 1 1 31 31 ASP H H 31 8.669 8.669 9.118 -0.450 25775
462 1 3 . 1 1 32 32 GLY N N 32 109.050 109.050 107.171 1.879 25775
463 1 3 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.172 0.374 25775
464 1 3 . 1 1 32 32 GLY H H 32 7.944 7.944 8.191 -0.247 25775
465 1 3 . 1 1 33 33 THR N N 33 112.503 112.503 115.100 -2.597 25775
466 1 3 . 1 1 33 33 THR HA H 33 4.316 4.316 4.323 -0.007 25775
467 1 3 . 1 1 33 33 THR CA C 33 62.025 62.025 62.355 -0.330 25775
468 1 3 . 1 1 33 33 THR CB C 33 69.946 69.946 69.324 0.622 25775
469 1 3 . 1 1 33 33 THR H H 33 7.944 7.944 8.094 -0.150 25775
470 1 3 . 1 1 34 34 PHE N N 34 121.576 121.576 124.002 -2.426 25775
471 1 3 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.477 0.147 25775
472 1 3 . 1 1 34 34 PHE CA C 34 57.395 57.395 58.319 -0.924 25775
473 1 3 . 1 1 34 34 PHE CB C 34 40.002 40.002 39.367 0.635 25775
474 1 3 . 1 1 34 34 PHE H H 34 8.067 8.067 8.547 -0.480 25775
475 1 4 . 1 1 2 2 CYS N N 2 120.899 120.899 119.626 1.273 25775
476 1 4 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.738 -1.080 25775
477 1 4 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.506 -2.581 25775
478 1 4 . 1 1 2 2 CYS CB C 2 41.735 41.735 30.546 11.189 25775
479 1 4 . 1 1 2 2 CYS H H 2 8.654 8.654 8.700 -0.046 25775
480 1 4 . 1 1 3 3 ARG N N 3 120.390 120.390 119.661 0.729 25775
481 1 4 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.640 -0.211 25775
482 1 4 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.342 0.854 25775
483 1 4 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.361 -1.761 25775
484 1 4 . 1 1 3 3 ARG H H 3 8.889 8.889 8.668 0.221 25775
485 1 4 . 1 1 4 4 TYR N N 4 122.181 122.181 115.045 7.136 25775
486 1 4 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.588 -0.338 25775
487 1 4 . 1 1 4 4 TYR CA C 4 55.999 55.999 55.813 0.186 25775
488 1 4 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.538 0.488 25775
489 1 4 . 1 1 4 4 TYR H H 4 8.224 8.224 7.436 0.788 25775
490 1 4 . 1 1 5 5 LEU N N 5 121.370 121.370 120.486 0.884 25775
491 1 4 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.724 -0.357 25775
492 1 4 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.130 -0.465 25775
493 1 4 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.931 0.322 25775
494 1 4 . 1 1 5 5 LEU H H 5 6.651 6.651 8.283 -1.632 25775
495 1 4 . 1 1 6 6 PHE N N 6 117.688 117.688 113.571 4.117 25775
496 1 4 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.621 -0.853 25775
497 1 4 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.938 1.341 25775
498 1 4 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.200 -2.129 25775
499 1 4 . 1 1 6 6 PHE H H 6 8.869 8.869 8.103 0.766 25775
500 1 4 . 1 1 7 7 GLY N N 7 110.878 110.878 107.689 3.189 25775
501 1 4 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.593 -0.213 25775
502 1 4 . 1 1 7 7 GLY H H 7 9.113 9.113 7.696 1.417 25775
503 1 4 . 1 1 8 8 GLY N N 8 111.369 111.369 108.165 3.204 25775
504 1 4 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.424 1.651 25775
505 1 4 . 1 1 8 8 GLY H H 8 8.729 8.729 7.562 1.167 25775
506 1 4 . 1 1 9 9 CYS N N 9 115.842 115.842 116.695 -0.853 25775
507 1 4 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.907 0.041 25775
508 1 4 . 1 1 9 9 CYS CA C 9 53.667 53.667 57.358 -3.691 25775
509 1 4 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.617 16.671 25775
510 1 4 . 1 1 9 9 CYS H H 9 7.894 7.894 8.268 -0.374 25775
511 1 4 . 1 1 10 10 SER N N 10 113.651 113.651 115.635 -1.984 25775
512 1 4 . 1 1 10 10 SER HA H 10 4.591 4.591 4.557 0.034 25775
513 1 4 . 1 1 10 10 SER CA C 10 58.794 58.794 58.966 -0.172 25775
514 1 4 . 1 1 10 10 SER CB C 10 64.468 64.468 63.681 0.787 25775
515 1 4 . 1 1 10 10 SER H H 10 8.986 8.986 8.683 0.303 25775
516 1 4 . 1 1 11 11 SER N N 11 115.967 115.967 113.705 2.262 25775
517 1 4 . 1 1 11 11 SER HA H 11 4.668 4.668 4.755 -0.087 25775
518 1 4 . 1 1 11 11 SER CA C 11 56.868 56.868 56.989 -0.121 25775
519 1 4 . 1 1 11 11 SER CB C 11 65.742 65.742 66.021 -0.279 25775
520 1 4 . 1 1 11 11 SER H H 11 8.009 8.009 7.876 0.133 25775
521 1 4 . 1 1 12 12 THR N N 12 123.963 123.963 115.003 8.960 25775
522 1 4 . 1 1 12 12 THR HA H 12 3.808 3.808 4.120 -0.312 25775
523 1 4 . 1 1 12 12 THR CA C 12 67.368 67.368 64.228 3.140 25775
524 1 4 . 1 1 12 12 THR CB C 12 69.100 69.100 68.586 0.514 25775
525 1 4 . 1 1 12 12 THR H H 12 9.412 9.412 8.679 0.733 25775
526 1 4 . 1 1 13 13 SER N N 13 121.263 121.263 116.254 5.009 25775
527 1 4 . 1 1 13 13 SER HA H 13 4.012 4.012 4.207 -0.195 25775
528 1 4 . 1 1 13 13 SER CA C 13 60.968 60.968 60.502 0.466 25775
529 1 4 . 1 1 13 13 SER CB C 13 62.880 62.880 62.449 0.431 25775
530 1 4 . 1 1 13 13 SER H H 13 8.728 8.728 8.201 0.527 25775
531 1 4 . 1 1 14 14 ASP N N 14 118.050 118.050 122.374 -4.324 25775
532 1 4 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.588 -0.351 25775
533 1 4 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.273 -1.284 25775
534 1 4 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.740 -4.324 25775
535 1 4 . 1 1 14 14 ASP H H 14 8.619 8.619 7.614 1.005 25775
536 1 4 . 1 1 15 15 CYS N N 15 117.779 117.779 119.084 -1.305 25775
537 1 4 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.318 0.803 25775
538 1 4 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.166 -6.569 25775
539 1 4 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.766 15.194 25775
540 1 4 . 1 1 15 15 CYS H H 15 8.058 8.058 7.632 0.426 25775
541 1 4 . 1 1 16 16 CYS N N 16 120.718 120.718 123.413 -2.695 25775
542 1 4 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.429 0.151 25775
543 1 4 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.514 -4.899 25775
544 1 4 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.883 11.502 25775
545 1 4 . 1 1 16 16 CYS H H 16 9.093 9.093 8.765 0.328 25775
546 1 4 . 1 1 17 17 LYS N N 17 117.710 117.710 121.288 -3.578 25775
547 1 4 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.554 -0.615 25775
548 1 4 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.529 2.549 25775
549 1 4 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.907 0.572 25775
550 1 4 . 1 1 17 17 LYS H H 17 7.907 7.907 8.259 -0.352 25775
551 1 4 . 1 1 18 18 HIS N N 18 112.192 112.192 112.692 -0.500 25775
552 1 4 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.231 -0.031 25775
553 1 4 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.201 1.647 25775
554 1 4 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.744 -0.843 25775
555 1 4 . 1 1 18 18 HIS H H 18 8.578 8.578 8.094 0.484 25775
556 1 4 . 1 1 19 19 LEU N N 19 118.755 118.755 117.498 1.257 25775
557 1 4 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.938 0.118 25775
558 1 4 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.964 1.075 25775
559 1 4 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.687 -1.321 25775
560 1 4 . 1 1 19 19 LEU H H 19 7.894 7.894 7.604 0.290 25775
561 1 4 . 1 1 20 20 SER N N 20 113.497 113.497 115.430 -1.933 25775
562 1 4 . 1 1 20 20 SER HA H 20 4.848 4.848 4.614 0.234 25775
563 1 4 . 1 1 20 20 SER CA C 20 56.143 56.143 57.004 -0.861 25775
564 1 4 . 1 1 20 20 SER CB C 20 65.870 65.870 64.759 1.111 25775
565 1 4 . 1 1 20 20 SER H H 20 9.339 9.339 8.526 0.813 25775
566 1 4 . 1 1 21 21 CYS N N 21 123.504 123.504 125.338 -1.834 25775
567 1 4 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.279 0.359 25775
568 1 4 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.759 -5.380 25775
569 1 4 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.469 14.690 25775
570 1 4 . 1 1 21 21 CYS H H 21 8.700 8.700 8.878 -0.178 25775
571 1 4 . 1 1 22 22 ARG N N 22 131.352 131.352 128.208 3.144 25775
572 1 4 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.500 -0.316 25775
573 1 4 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.375 0.704 25775
574 1 4 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.178 -0.803 25775
575 1 4 . 1 1 22 22 ARG H H 22 8.425 8.425 8.581 -0.156 25775
576 1 4 . 1 1 23 23 SER N N 23 116.579 116.579 116.651 -0.072 25775
577 1 4 . 1 1 23 23 SER HA H 23 4.259 4.259 4.365 -0.106 25775
578 1 4 . 1 1 23 23 SER CA C 23 60.879 60.879 60.352 0.527 25775
579 1 4 . 1 1 23 23 SER CB C 23 63.926 63.926 63.045 0.881 25775
580 1 4 . 1 1 23 23 SER H H 23 8.191 8.191 8.812 -0.621 25775
581 1 4 . 1 1 24 24 ASP N N 24 118.399 118.399 121.317 -2.918 25775
582 1 4 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.677 -0.086 25775
583 1 4 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.178 -0.491 25775
584 1 4 . 1 1 24 24 ASP CB C 24 39.538 39.538 41.054 -1.516 25775
585 1 4 . 1 1 24 24 ASP H H 24 7.746 7.746 8.484 -0.738 25775
586 1 4 . 1 1 25 25 TRP N N 25 120.253 120.253 119.154 1.099 25775
587 1 4 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.656 0.015 25775
588 1 4 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.668 -3.010 25775
589 1 4 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.077 0.967 25775
590 1 4 . 1 1 25 25 TRP H H 25 7.962 7.962 8.096 -0.134 25775
591 1 4 . 1 1 26 26 LYS N N 26 114.205 114.205 115.979 -1.774 25775
592 1 4 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.148 -0.238 25775
593 1 4 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.226 -0.579 25775
594 1 4 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.346 -1.361 25775
595 1 4 . 1 1 26 26 LYS H H 26 8.161 8.161 8.377 -0.216 25775
596 1 4 . 1 1 27 27 TYR N N 27 111.730 111.730 112.872 -1.142 25775
597 1 4 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.011 0.511 25775
598 1 4 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.437 0.417 25775
599 1 4 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.662 0.608 25775
600 1 4 . 1 1 27 27 TYR H H 27 6.879 6.879 7.941 -1.062 25775
601 1 4 . 1 1 28 28 CYS N N 28 119.698 119.698 120.452 -0.754 25775
602 1 4 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.380 0.483 25775
603 1 4 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.257 -4.520 25775
604 1 4 . 1 1 28 28 CYS CB C 28 41.013 41.013 27.099 13.914 25775
605 1 4 . 1 1 28 28 CYS H H 28 8.916 8.916 8.591 0.325 25775
606 1 4 . 1 1 29 29 ALA N N 29 128.521 128.521 125.158 3.363 25775
607 1 4 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.443 0.201 25775
608 1 4 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.657 -0.139 25775
609 1 4 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.793 1.255 25775
610 1 4 . 1 1 29 29 ALA H H 29 9.484 9.484 8.047 1.437 25775
611 1 4 . 1 1 30 30 TRP N N 30 120.346 120.346 122.565 -2.219 25775
612 1 4 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.489 0.257 25775
613 1 4 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.216 -0.218 25775
614 1 4 . 1 1 30 30 TRP H H 30 7.950 7.950 8.456 -0.506 25775
615 1 4 . 1 1 31 31 ASP N N 31 123.675 123.675 117.584 6.091 25775
616 1 4 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.217 0.425 25775
617 1 4 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.647 0.495 25775
618 1 4 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.348 0.600 25775
619 1 4 . 1 1 31 31 ASP H H 31 8.669 8.669 9.254 -0.585 25775
620 1 4 . 1 1 32 32 GLY N N 32 109.050 109.050 107.241 1.809 25775
621 1 4 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.185 0.361 25775
622 1 4 . 1 1 32 32 GLY H H 32 7.944 7.944 8.148 -0.204 25775
623 1 4 . 1 1 33 33 THR N N 33 112.503 112.503 117.443 -4.940 25775
624 1 4 . 1 1 33 33 THR HA H 33 4.316 4.316 4.372 -0.056 25775
625 1 4 . 1 1 33 33 THR CA C 33 62.025 62.025 62.447 -0.422 25775
626 1 4 . 1 1 33 33 THR CB C 33 69.946 69.946 69.577 0.369 25775
627 1 4 . 1 1 33 33 THR H H 33 7.944 7.944 8.089 -0.145 25775
628 1 4 . 1 1 34 34 PHE N N 34 121.576 121.576 122.624 -1.048 25775
629 1 4 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.558 0.066 25775
630 1 4 . 1 1 34 34 PHE CA C 34 57.395 57.395 58.337 -0.942 25775
631 1 4 . 1 1 34 34 PHE CB C 34 40.002 40.002 39.564 0.438 25775
632 1 4 . 1 1 34 34 PHE H H 34 8.067 8.067 8.625 -0.558 25775
633 1 5 . 1 1 2 2 CYS N N 2 120.899 120.899 122.467 -1.568 25775
634 1 5 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.078 -0.420 25775
635 1 5 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.645 -2.720 25775
636 1 5 . 1 1 2 2 CYS CB C 2 41.735 41.735 26.947 14.788 25775
637 1 5 . 1 1 2 2 CYS H H 2 8.654 8.654 8.471 0.183 25775
638 1 5 . 1 1 3 3 ARG N N 3 120.390 120.390 121.201 -0.811 25775
639 1 5 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.474 -0.045 25775
640 1 5 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.301 0.895 25775
641 1 5 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.412 -1.812 25775
642 1 5 . 1 1 3 3 ARG H H 3 8.889 8.889 8.469 0.420 25775
643 1 5 . 1 1 4 4 TYR N N 4 122.181 122.181 115.327 6.854 25775
644 1 5 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.544 -0.294 25775
645 1 5 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.073 -0.074 25775
646 1 5 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.396 0.630 25775
647 1 5 . 1 1 4 4 TYR H H 4 8.224 8.224 7.468 0.756 25775
648 1 5 . 1 1 5 5 LEU N N 5 121.370 121.370 120.862 0.508 25775
649 1 5 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.750 -0.383 25775
650 1 5 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.110 -0.445 25775
651 1 5 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.894 0.359 25775
652 1 5 . 1 1 5 5 LEU H H 5 6.651 6.651 8.330 -1.679 25775
653 1 5 . 1 1 6 6 PHE N N 6 117.688 117.688 113.630 4.058 25775
654 1 5 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.663 -0.895 25775
655 1 5 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.699 1.580 25775
656 1 5 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.452 -2.381 25775
657 1 5 . 1 1 6 6 PHE H H 6 8.869 8.869 8.111 0.758 25775
658 1 5 . 1 1 7 7 GLY N N 7 110.878 110.878 107.541 3.337 25775
659 1 5 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.371 0.009 25775
660 1 5 . 1 1 7 7 GLY H H 7 9.113 9.113 7.705 1.408 25775
661 1 5 . 1 1 8 8 GLY N N 8 111.369 111.369 107.271 4.098 25775
662 1 5 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.460 1.615 25775
663 1 5 . 1 1 8 8 GLY H H 8 8.729 8.729 7.689 1.040 25775
664 1 5 . 1 1 9 9 CYS N N 9 115.842 115.842 118.623 -2.781 25775
665 1 5 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.013 -0.065 25775
666 1 5 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.900 -3.233 25775
667 1 5 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.816 16.472 25775
668 1 5 . 1 1 9 9 CYS H H 9 7.894 7.894 8.284 -0.390 25775
669 1 5 . 1 1 10 10 SER N N 10 113.651 113.651 116.471 -2.820 25775
670 1 5 . 1 1 10 10 SER HA H 10 4.591 4.591 4.622 -0.031 25775
671 1 5 . 1 1 10 10 SER CA C 10 58.794 58.794 58.600 0.194 25775
672 1 5 . 1 1 10 10 SER CB C 10 64.468 64.468 64.317 0.151 25775
673 1 5 . 1 1 10 10 SER H H 10 8.986 8.986 8.559 0.427 25775
674 1 5 . 1 1 11 11 SER N N 11 115.967 115.967 114.354 1.613 25775
675 1 5 . 1 1 11 11 SER HA H 11 4.668 4.668 4.755 -0.087 25775
676 1 5 . 1 1 11 11 SER CA C 11 56.868 56.868 56.239 0.629 25775
677 1 5 . 1 1 11 11 SER CB C 11 65.742 65.742 64.577 1.165 25775
678 1 5 . 1 1 11 11 SER H H 11 8.009 8.009 7.586 0.423 25775
679 1 5 . 1 1 12 12 THR N N 12 123.963 123.963 117.047 6.916 25775
680 1 5 . 1 1 12 12 THR HA H 12 3.808 3.808 4.115 -0.307 25775
681 1 5 . 1 1 12 12 THR CA C 12 67.368 67.368 63.998 3.370 25775
682 1 5 . 1 1 12 12 THR CB C 12 69.100 69.100 68.359 0.742 25775
683 1 5 . 1 1 12 12 THR H H 12 9.412 9.412 8.676 0.736 25775
684 1 5 . 1 1 13 13 SER N N 13 121.263 121.263 116.036 5.227 25775
685 1 5 . 1 1 13 13 SER HA H 13 4.012 4.012 4.168 -0.156 25775
686 1 5 . 1 1 13 13 SER CA C 13 60.968 60.968 60.224 0.744 25775
687 1 5 . 1 1 13 13 SER CB C 13 62.880 62.880 62.740 0.140 25775
688 1 5 . 1 1 13 13 SER H H 13 8.728 8.728 7.648 1.080 25775
689 1 5 . 1 1 14 14 ASP N N 14 118.050 118.050 120.590 -2.540 25775
690 1 5 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.538 -0.301 25775
691 1 5 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.637 -1.647 25775
692 1 5 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.446 -4.030 25775
693 1 5 . 1 1 14 14 ASP H H 14 8.619 8.619 7.613 1.006 25775
694 1 5 . 1 1 15 15 CYS N N 15 117.779 117.779 119.114 -1.335 25775
695 1 5 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.331 0.790 25775
696 1 5 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.164 -6.566 25775
697 1 5 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.880 15.080 25775
698 1 5 . 1 1 15 15 CYS H H 15 8.058 8.058 7.623 0.435 25775
699 1 5 . 1 1 16 16 CYS N N 16 120.718 120.718 123.219 -2.501 25775
700 1 5 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.457 0.123 25775
701 1 5 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.640 -5.024 25775
702 1 5 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.809 11.576 25775
703 1 5 . 1 1 16 16 CYS H H 16 9.093 9.093 8.806 0.287 25775
704 1 5 . 1 1 17 17 LYS N N 17 117.710 117.710 120.770 -3.060 25775
705 1 5 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.139 -0.200 25775
706 1 5 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.988 3.090 25775
707 1 5 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.521 0.958 25775
708 1 5 . 1 1 17 17 LYS H H 17 7.907 7.907 8.087 -0.180 25775
709 1 5 . 1 1 18 18 HIS N N 18 112.192 112.192 111.870 0.322 25775
710 1 5 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.196 0.004 25775
711 1 5 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.389 1.459 25775
712 1 5 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.346 -0.445 25775
713 1 5 . 1 1 18 18 HIS H H 18 8.578 8.578 7.978 0.600 25775
714 1 5 . 1 1 19 19 LEU N N 19 118.755 118.755 117.319 1.436 25775
715 1 5 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.886 0.170 25775
716 1 5 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.950 1.089 25775
717 1 5 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.816 -1.450 25775
718 1 5 . 1 1 19 19 LEU H H 19 7.894 7.894 7.553 0.341 25775
719 1 5 . 1 1 20 20 SER N N 20 113.497 113.497 115.392 -1.895 25775
720 1 5 . 1 1 20 20 SER HA H 20 4.848 4.848 4.580 0.268 25775
721 1 5 . 1 1 20 20 SER CA C 20 56.143 56.143 56.999 -0.856 25775
722 1 5 . 1 1 20 20 SER CB C 20 65.870 65.870 64.798 1.072 25775
723 1 5 . 1 1 20 20 SER H H 20 9.339 9.339 8.484 0.855 25775
724 1 5 . 1 1 21 21 CYS N N 21 123.504 123.504 125.452 -1.948 25775
725 1 5 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.207 0.431 25775
726 1 5 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.922 -5.543 25775
727 1 5 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.028 15.131 25775
728 1 5 . 1 1 21 21 CYS H H 21 8.700 8.700 8.895 -0.195 25775
729 1 5 . 1 1 22 22 ARG N N 22 131.352 131.352 128.247 3.105 25775
730 1 5 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.505 -0.321 25775
731 1 5 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.376 0.703 25775
732 1 5 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.636 -1.261 25775
733 1 5 . 1 1 22 22 ARG H H 22 8.425 8.425 8.411 0.014 25775
734 1 5 . 1 1 23 23 SER N N 23 116.579 116.579 116.864 -0.285 25775
735 1 5 . 1 1 23 23 SER HA H 23 4.259 4.259 4.292 -0.033 25775
736 1 5 . 1 1 23 23 SER CA C 23 60.879 60.879 59.978 0.901 25775
737 1 5 . 1 1 23 23 SER CB C 23 63.926 63.926 63.222 0.704 25775
738 1 5 . 1 1 23 23 SER H H 23 8.191 8.191 8.795 -0.604 25775
739 1 5 . 1 1 24 24 ASP N N 24 118.399 118.399 120.680 -2.281 25775
740 1 5 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.716 -0.125 25775
741 1 5 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.765 -1.078 25775
742 1 5 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.921 -1.383 25775
743 1 5 . 1 1 24 24 ASP H H 24 7.746 7.746 8.610 -0.864 25775
744 1 5 . 1 1 25 25 TRP N N 25 120.253 120.253 118.639 1.614 25775
745 1 5 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.699 -0.028 25775
746 1 5 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.322 -2.664 25775
747 1 5 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.412 0.632 25775
748 1 5 . 1 1 25 25 TRP H H 25 7.962 7.962 8.050 -0.088 25775
749 1 5 . 1 1 26 26 LYS N N 26 114.205 114.205 116.229 -2.024 25775
750 1 5 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.143 -0.233 25775
751 1 5 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.264 -0.617 25775
752 1 5 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.346 -1.361 25775
753 1 5 . 1 1 26 26 LYS H H 26 8.161 8.161 8.362 -0.201 25775
754 1 5 . 1 1 27 27 TYR N N 27 111.730 111.730 113.340 -1.610 25775
755 1 5 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.038 0.484 25775
756 1 5 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.651 0.203 25775
757 1 5 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.662 0.608 25775
758 1 5 . 1 1 27 27 TYR H H 27 6.879 6.879 7.959 -1.080 25775
759 1 5 . 1 1 28 28 CYS N N 28 119.698 119.698 120.912 -1.214 25775
760 1 5 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.296 0.567 25775
761 1 5 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.480 -4.744 25775
762 1 5 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.967 14.046 25775
763 1 5 . 1 1 28 28 CYS H H 28 8.916 8.916 8.608 0.308 25775
764 1 5 . 1 1 29 29 ALA N N 29 128.521 128.521 124.842 3.679 25775
765 1 5 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.430 0.214 25775
766 1 5 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.763 -0.245 25775
767 1 5 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.774 1.274 25775
768 1 5 . 1 1 29 29 ALA H H 29 9.484 9.484 7.991 1.493 25775
769 1 5 . 1 1 30 30 TRP N N 30 120.346 120.346 123.461 -3.115 25775
770 1 5 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.490 0.256 25775
771 1 5 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.380 -0.382 25775
772 1 5 . 1 1 30 30 TRP H H 30 7.950 7.950 8.626 -0.676 25775
773 1 5 . 1 1 31 31 ASP N N 31 123.675 123.675 120.845 2.830 25775
774 1 5 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.322 0.320 25775
775 1 5 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.236 -0.094 25775
776 1 5 . 1 1 31 31 ASP CB C 31 38.948 38.948 40.670 -1.722 25775
777 1 5 . 1 1 31 31 ASP H H 31 8.669 8.669 9.013 -0.344 25775
778 1 5 . 1 1 32 32 GLY N N 32 109.050 109.050 106.078 2.972 25775
779 1 5 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.283 0.263 25775
780 1 5 . 1 1 32 32 GLY H H 32 7.944 7.944 8.011 -0.067 25775
781 1 5 . 1 1 33 33 THR N N 33 112.503 112.503 114.524 -2.021 25775
782 1 5 . 1 1 33 33 THR HA H 33 4.316 4.316 4.040 0.276 25775
783 1 5 . 1 1 33 33 THR CA C 33 62.025 62.025 61.627 0.398 25775
784 1 5 . 1 1 33 33 THR CB C 33 69.946 69.946 69.334 0.612 25775
785 1 5 . 1 1 33 33 THR H H 33 7.944 7.944 7.859 0.085 25775
786 1 5 . 1 1 34 34 PHE N N 34 121.576 121.576 120.102 1.474 25775
787 1 5 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.815 -0.191 25775
788 1 5 . 1 1 34 34 PHE CA C 34 57.395 57.395 56.721 0.674 25775
789 1 5 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.412 -0.410 25775
790 1 5 . 1 1 34 34 PHE H H 34 8.067 8.067 8.245 -0.178 25775
791 1 6 . 1 1 2 2 CYS N N 2 120.899 120.899 121.338 -0.439 25775
792 1 6 . 1 1 2 2 CYS HA H 2 4.658 4.658 4.864 -0.206 25775
793 1 6 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.489 -2.564 25775
794 1 6 . 1 1 2 2 CYS CB C 2 41.735 41.735 27.535 14.200 25775
795 1 6 . 1 1 2 2 CYS H H 2 8.654 8.654 8.440 0.214 25775
796 1 6 . 1 1 3 3 ARG N N 3 120.390 120.390 121.253 -0.863 25775
797 1 6 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.510 -0.081 25775
798 1 6 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.454 0.742 25775
799 1 6 . 1 1 3 3 ARG CB C 3 31.600 31.600 32.855 -1.255 25775
800 1 6 . 1 1 3 3 ARG H H 3 8.889 8.889 8.516 0.373 25775
801 1 6 . 1 1 4 4 TYR N N 4 122.181 122.181 117.035 5.146 25775
802 1 6 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.595 -0.345 25775
803 1 6 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.088 -0.089 25775
804 1 6 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.681 0.345 25775
805 1 6 . 1 1 4 4 TYR H H 4 8.224 8.224 7.418 0.806 25775
806 1 6 . 1 1 5 5 LEU N N 5 121.370 121.370 120.751 0.619 25775
807 1 6 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.825 -0.458 25775
808 1 6 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.498 -0.833 25775
809 1 6 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.027 0.226 25775
810 1 6 . 1 1 5 5 LEU H H 5 6.651 6.651 8.474 -1.823 25775
811 1 6 . 1 1 6 6 PHE N N 6 117.688 117.688 113.907 3.781 25775
812 1 6 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.645 -0.877 25775
813 1 6 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.011 1.268 25775
814 1 6 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.740 -2.669 25775
815 1 6 . 1 1 6 6 PHE H H 6 8.869 8.869 8.532 0.337 25775
816 1 6 . 1 1 7 7 GLY N N 7 110.878 110.878 107.592 3.286 25775
817 1 6 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.589 -0.209 25775
818 1 6 . 1 1 7 7 GLY H H 7 9.113 9.113 7.778 1.335 25775
819 1 6 . 1 1 8 8 GLY N N 8 111.369 111.369 107.443 3.926 25775
820 1 6 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.477 1.598 25775
821 1 6 . 1 1 8 8 GLY H H 8 8.729 8.729 7.830 0.899 25775
822 1 6 . 1 1 9 9 CYS N N 9 115.842 115.842 119.039 -3.197 25775
823 1 6 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.269 -0.321 25775
824 1 6 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.354 -2.687 25775
825 1 6 . 1 1 9 9 CYS CB C 9 47.288 47.288 31.866 15.422 25775
826 1 6 . 1 1 9 9 CYS H H 9 7.894 7.894 7.850 0.044 25775
827 1 6 . 1 1 10 10 SER N N 10 113.651 113.651 115.100 -1.449 25775
828 1 6 . 1 1 10 10 SER HA H 10 4.591 4.591 4.626 -0.035 25775
829 1 6 . 1 1 10 10 SER CA C 10 58.794 58.794 59.001 -0.207 25775
830 1 6 . 1 1 10 10 SER CB C 10 64.468 64.468 64.537 -0.069 25775
831 1 6 . 1 1 10 10 SER H H 10 8.986 8.986 8.553 0.433 25775
832 1 6 . 1 1 11 11 SER N N 11 115.967 115.967 116.582 -0.615 25775
833 1 6 . 1 1 11 11 SER HA H 11 4.668 4.668 4.784 -0.116 25775
834 1 6 . 1 1 11 11 SER CA C 11 56.868 56.868 56.814 0.054 25775
835 1 6 . 1 1 11 11 SER CB C 11 65.742 65.742 66.184 -0.442 25775
836 1 6 . 1 1 11 11 SER H H 11 8.009 8.009 7.551 0.458 25775
837 1 6 . 1 1 12 12 THR N N 12 123.963 123.963 114.739 9.224 25775
838 1 6 . 1 1 12 12 THR HA H 12 3.808 3.808 4.114 -0.306 25775
839 1 6 . 1 1 12 12 THR CA C 12 67.368 67.368 64.781 2.587 25775
840 1 6 . 1 1 12 12 THR CB C 12 69.100 69.100 68.406 0.694 25775
841 1 6 . 1 1 12 12 THR H H 12 9.412 9.412 8.682 0.730 25775
842 1 6 . 1 1 13 13 SER N N 13 121.263 121.263 116.784 4.479 25775
843 1 6 . 1 1 13 13 SER HA H 13 4.012 4.012 4.253 -0.241 25775
844 1 6 . 1 1 13 13 SER CA C 13 60.968 60.968 60.199 0.769 25775
845 1 6 . 1 1 13 13 SER CB C 13 62.880 62.880 62.731 0.149 25775
846 1 6 . 1 1 13 13 SER H H 13 8.728 8.728 8.220 0.508 25775
847 1 6 . 1 1 14 14 ASP N N 14 118.050 118.050 120.303 -2.253 25775
848 1 6 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.524 -0.287 25775
849 1 6 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.438 -1.448 25775
850 1 6 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.353 -3.937 25775
851 1 6 . 1 1 14 14 ASP H H 14 8.619 8.619 7.797 0.822 25775
852 1 6 . 1 1 15 15 CYS N N 15 117.779 117.779 119.109 -1.330 25775
853 1 6 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.315 0.806 25775
854 1 6 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.231 -6.633 25775
855 1 6 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.778 15.182 25775
856 1 6 . 1 1 15 15 CYS H H 15 8.058 8.058 7.646 0.412 25775
857 1 6 . 1 1 16 16 CYS N N 16 120.718 120.718 123.580 -2.862 25775
858 1 6 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.399 0.181 25775
859 1 6 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.600 -4.984 25775
860 1 6 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.977 11.408 25775
861 1 6 . 1 1 16 16 CYS H H 16 9.093 9.093 8.703 0.390 25775
862 1 6 . 1 1 17 17 LYS N N 17 117.710 117.710 120.478 -2.768 25775
863 1 6 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.289 -0.350 25775
864 1 6 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.732 3.346 25775
865 1 6 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.020 1.459 25775
866 1 6 . 1 1 17 17 LYS H H 17 7.907 7.907 8.125 -0.218 25775
867 1 6 . 1 1 18 18 HIS N N 18 112.192 112.192 111.749 0.443 25775
868 1 6 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.209 -0.009 25775
869 1 6 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.316 1.532 25775
870 1 6 . 1 1 18 18 HIS CB C 18 26.901 26.901 28.011 -1.110 25775
871 1 6 . 1 1 18 18 HIS H H 18 8.578 8.578 8.218 0.360 25775
872 1 6 . 1 1 19 19 LEU N N 19 118.755 118.755 117.353 1.402 25775
873 1 6 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.894 0.162 25775
874 1 6 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.778 1.261 25775
875 1 6 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.440 -1.074 25775
876 1 6 . 1 1 19 19 LEU H H 19 7.894 7.894 7.543 0.351 25775
877 1 6 . 1 1 20 20 SER N N 20 113.497 113.497 115.818 -2.321 25775
878 1 6 . 1 1 20 20 SER HA H 20 4.848 4.848 4.547 0.301 25775
879 1 6 . 1 1 20 20 SER CA C 20 56.143 56.143 56.513 -0.370 25775
880 1 6 . 1 1 20 20 SER CB C 20 65.870 65.870 64.340 1.530 25775
881 1 6 . 1 1 20 20 SER H H 20 9.339 9.339 8.602 0.737 25775
882 1 6 . 1 1 21 21 CYS N N 21 123.504 123.504 125.603 -2.099 25775
883 1 6 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.361 0.277 25775
884 1 6 . 1 1 21 21 CYS CA C 21 53.379 53.379 59.080 -5.701 25775
885 1 6 . 1 1 21 21 CYS CB C 21 41.159 41.159 25.821 15.338 25775
886 1 6 . 1 1 21 21 CYS H H 21 8.700 8.700 8.930 -0.230 25775
887 1 6 . 1 1 22 22 ARG N N 22 131.352 131.352 128.064 3.288 25775
888 1 6 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.571 -0.387 25775
889 1 6 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.580 0.499 25775
890 1 6 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.750 -1.375 25775
891 1 6 . 1 1 22 22 ARG H H 22 8.425 8.425 7.848 0.577 25775
892 1 6 . 1 1 23 23 SER N N 23 116.579 116.579 116.522 0.057 25775
893 1 6 . 1 1 23 23 SER HA H 23 4.259 4.259 4.264 -0.005 25775
894 1 6 . 1 1 23 23 SER CA C 23 60.879 60.879 60.023 0.857 25775
895 1 6 . 1 1 23 23 SER CB C 23 63.926 63.926 63.198 0.728 25775
896 1 6 . 1 1 23 23 SER H H 23 8.191 8.191 8.812 -0.621 25775
897 1 6 . 1 1 24 24 ASP N N 24 118.399 118.399 121.106 -2.707 25775
898 1 6 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.646 -0.055 25775
899 1 6 . 1 1 24 24 ASP CA C 24 55.687 55.687 57.179 -1.492 25775
900 1 6 . 1 1 24 24 ASP CB C 24 39.538 39.538 41.011 -1.472 25775
901 1 6 . 1 1 24 24 ASP H H 24 7.746 7.746 8.570 -0.824 25775
902 1 6 . 1 1 25 25 TRP N N 25 120.253 120.253 118.276 1.977 25775
903 1 6 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.690 -0.019 25775
904 1 6 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.273 -2.615 25775
905 1 6 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.359 0.685 25775
906 1 6 . 1 1 25 25 TRP H H 25 7.962 7.962 8.014 -0.052 25775
907 1 6 . 1 1 26 26 LYS N N 26 114.205 114.205 116.172 -1.967 25775
908 1 6 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.138 -0.228 25775
909 1 6 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.298 -0.651 25775
910 1 6 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.411 -1.426 25775
911 1 6 . 1 1 26 26 LYS H H 26 8.161 8.161 8.351 -0.190 25775
912 1 6 . 1 1 27 27 TYR N N 27 111.730 111.730 113.448 -1.718 25775
913 1 6 . 1 1 27 27 TYR HA H 27 5.522 5.522 4.986 0.536 25775
914 1 6 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.442 0.412 25775
915 1 6 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.675 0.595 25775
916 1 6 . 1 1 27 27 TYR H H 27 6.879 6.879 7.848 -0.969 25775
917 1 6 . 1 1 28 28 CYS N N 28 119.698 119.698 122.250 -2.552 25775
918 1 6 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.374 0.489 25775
919 1 6 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.512 -4.775 25775
920 1 6 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.710 14.303 25775
921 1 6 . 1 1 28 28 CYS H H 28 8.916 8.916 8.556 0.360 25775
922 1 6 . 1 1 29 29 ALA N N 29 128.521 128.521 125.558 2.963 25775
923 1 6 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.475 0.169 25775
924 1 6 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.489 0.029 25775
925 1 6 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.808 1.240 25775
926 1 6 . 1 1 29 29 ALA H H 29 9.484 9.484 8.107 1.377 25775
927 1 6 . 1 1 30 30 TRP N N 30 120.346 120.346 123.645 -3.299 25775
928 1 6 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.528 0.218 25775
929 1 6 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.508 -0.510 25775
930 1 6 . 1 1 30 30 TRP H H 30 7.950 7.950 8.607 -0.657 25775
931 1 6 . 1 1 31 31 ASP N N 31 123.675 123.675 118.887 4.788 25775
932 1 6 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.270 0.372 25775
933 1 6 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.056 0.086 25775
934 1 6 . 1 1 31 31 ASP CB C 31 38.948 38.948 40.475 -1.527 25775
935 1 6 . 1 1 31 31 ASP H H 31 8.669 8.669 9.148 -0.479 25775
936 1 6 . 1 1 32 32 GLY N N 32 109.050 109.050 105.307 3.743 25775
937 1 6 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.714 0.832 25775
938 1 6 . 1 1 32 32 GLY H H 32 7.944 7.944 7.804 0.140 25775
939 1 6 . 1 1 33 33 THR N N 33 112.503 112.503 114.983 -2.480 25775
940 1 6 . 1 1 33 33 THR HA H 33 4.316 4.316 4.009 0.307 25775
941 1 6 . 1 1 33 33 THR CA C 33 62.025 62.025 63.642 -1.617 25775
942 1 6 . 1 1 33 33 THR CB C 33 69.946 69.946 69.162 0.784 25775
943 1 6 . 1 1 33 33 THR H H 33 7.944 7.944 8.074 -0.130 25775
944 1 6 . 1 1 34 34 PHE N N 34 121.576 121.576 123.509 -1.933 25775
945 1 6 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.684 -0.060 25775
946 1 6 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.881 -0.486 25775
947 1 6 . 1 1 34 34 PHE CB C 34 40.002 40.002 39.920 0.082 25775
948 1 6 . 1 1 34 34 PHE H H 34 8.067 8.067 8.593 -0.526 25775
949 1 7 . 1 1 2 2 CYS N N 2 120.899 120.899 122.354 -1.455 25775
950 1 7 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.843 -1.185 25775
951 1 7 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.608 -2.683 25775
952 1 7 . 1 1 2 2 CYS CB C 2 41.735 41.735 30.145 11.590 25775
953 1 7 . 1 1 2 2 CYS H H 2 8.654 8.654 8.698 -0.044 25775
954 1 7 . 1 1 3 3 ARG N N 3 120.390 120.390 119.960 0.430 25775
955 1 7 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.661 -0.232 25775
956 1 7 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.149 1.047 25775
957 1 7 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.550 -1.950 25775
958 1 7 . 1 1 3 3 ARG H H 3 8.889 8.889 8.738 0.151 25775
959 1 7 . 1 1 4 4 TYR N N 4 122.181 122.181 115.497 6.684 25775
960 1 7 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.618 -0.368 25775
961 1 7 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.102 -0.103 25775
962 1 7 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.468 0.558 25775
963 1 7 . 1 1 4 4 TYR H H 4 8.224 8.224 7.490 0.734 25775
964 1 7 . 1 1 5 5 LEU N N 5 121.370 121.370 120.938 0.432 25775
965 1 7 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.837 -0.470 25775
966 1 7 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.134 -0.469 25775
967 1 7 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.191 0.062 25775
968 1 7 . 1 1 5 5 LEU H H 5 6.651 6.651 8.484 -1.833 25775
969 1 7 . 1 1 6 6 PHE N N 6 117.688 117.688 113.847 3.841 25775
970 1 7 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.636 -0.868 25775
971 1 7 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.050 1.229 25775
972 1 7 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.759 -2.688 25775
973 1 7 . 1 1 6 6 PHE H H 6 8.869 8.869 8.509 0.360 25775
974 1 7 . 1 1 7 7 GLY N N 7 110.878 110.878 107.541 3.337 25775
975 1 7 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.427 -0.047 25775
976 1 7 . 1 1 7 7 GLY H H 7 9.113 9.113 7.729 1.384 25775
977 1 7 . 1 1 8 8 GLY N N 8 111.369 111.369 107.404 3.965 25775
978 1 7 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.475 1.600 25775
979 1 7 . 1 1 8 8 GLY H H 8 8.729 8.729 7.692 1.037 25775
980 1 7 . 1 1 9 9 CYS N N 9 115.842 115.842 117.464 -1.622 25775
981 1 7 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.942 0.006 25775
982 1 7 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.709 -3.042 25775
983 1 7 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.407 16.881 25775
984 1 7 . 1 1 9 9 CYS H H 9 7.894 7.894 8.113 -0.219 25775
985 1 7 . 1 1 10 10 SER N N 10 113.651 113.651 116.301 -2.650 25775
986 1 7 . 1 1 10 10 SER HA H 10 4.591 4.591 4.522 0.069 25775
987 1 7 . 1 1 10 10 SER CA C 10 58.794 58.794 58.742 0.052 25775
988 1 7 . 1 1 10 10 SER CB C 10 64.468 64.468 63.608 0.861 25775
989 1 7 . 1 1 10 10 SER H H 10 8.986 8.986 8.688 0.298 25775
990 1 7 . 1 1 11 11 SER N N 11 115.967 115.967 113.593 2.374 25775
991 1 7 . 1 1 11 11 SER HA H 11 4.668 4.668 4.700 -0.032 25775
992 1 7 . 1 1 11 11 SER CA C 11 56.868 56.868 56.457 0.411 25775
993 1 7 . 1 1 11 11 SER CB C 11 65.742 65.742 64.827 0.915 25775
994 1 7 . 1 1 11 11 SER H H 11 8.009 8.009 7.840 0.169 25775
995 1 7 . 1 1 12 12 THR N N 12 123.963 123.963 117.482 6.481 25775
996 1 7 . 1 1 12 12 THR HA H 12 3.808 3.808 4.105 -0.297 25775
997 1 7 . 1 1 12 12 THR CA C 12 67.368 67.368 63.941 3.427 25775
998 1 7 . 1 1 12 12 THR CB C 12 69.100 69.100 68.357 0.743 25775
999 1 7 . 1 1 12 12 THR H H 12 9.412 9.412 8.675 0.737 25775
1000 1 7 . 1 1 13 13 SER N N 13 121.263 121.263 116.089 5.174 25775
1001 1 7 . 1 1 13 13 SER HA H 13 4.012 4.012 4.149 -0.138 25775
1002 1 7 . 1 1 13 13 SER CA C 13 60.968 60.968 60.379 0.589 25775
1003 1 7 . 1 1 13 13 SER CB C 13 62.880 62.880 62.757 0.123 25775
1004 1 7 . 1 1 13 13 SER H H 13 8.728 8.728 7.687 1.041 25775
1005 1 7 . 1 1 14 14 ASP N N 14 118.050 118.050 121.068 -3.018 25775
1006 1 7 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.663 -0.426 25775
1007 1 7 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.157 -1.167 25775
1008 1 7 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.558 -4.142 25775
1009 1 7 . 1 1 14 14 ASP H H 14 8.619 8.619 7.607 1.012 25775
1010 1 7 . 1 1 15 15 CYS N N 15 117.779 117.779 119.060 -1.281 25775
1011 1 7 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.332 0.789 25775
1012 1 7 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.175 -6.577 25775
1013 1 7 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.859 15.101 25775
1014 1 7 . 1 1 15 15 CYS H H 15 8.058 8.058 7.623 0.435 25775
1015 1 7 . 1 1 16 16 CYS N N 16 120.718 120.718 123.257 -2.539 25775
1016 1 7 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.432 0.148 25775
1017 1 7 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.474 -4.858 25775
1018 1 7 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.854 11.531 25775
1019 1 7 . 1 1 16 16 CYS H H 16 9.093 9.093 8.772 0.321 25775
1020 1 7 . 1 1 17 17 LYS N N 17 117.710 117.710 121.366 -3.656 25775
1021 1 7 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.524 -0.585 25775
1022 1 7 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.442 2.636 25775
1023 1 7 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.872 0.607 25775
1024 1 7 . 1 1 17 17 LYS H H 17 7.907 7.907 8.260 -0.353 25775
1025 1 7 . 1 1 18 18 HIS N N 18 112.192 112.192 112.461 -0.269 25775
1026 1 7 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.229 -0.029 25775
1027 1 7 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.175 1.673 25775
1028 1 7 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.712 -0.811 25775
1029 1 7 . 1 1 18 18 HIS H H 18 8.578 8.578 8.078 0.500 25775
1030 1 7 . 1 1 19 19 LEU N N 19 118.755 118.755 117.293 1.462 25775
1031 1 7 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.939 0.117 25775
1032 1 7 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.979 1.060 25775
1033 1 7 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.582 -1.216 25775
1034 1 7 . 1 1 19 19 LEU H H 19 7.894 7.894 7.588 0.306 25775
1035 1 7 . 1 1 20 20 SER N N 20 113.497 113.497 115.502 -2.005 25775
1036 1 7 . 1 1 20 20 SER HA H 20 4.848 4.848 4.564 0.284 25775
1037 1 7 . 1 1 20 20 SER CA C 20 56.143 56.143 57.306 -1.163 25775
1038 1 7 . 1 1 20 20 SER CB C 20 65.870 65.870 65.012 0.858 25775
1039 1 7 . 1 1 20 20 SER H H 20 9.339 9.339 8.494 0.845 25775
1040 1 7 . 1 1 21 21 CYS N N 21 123.504 123.504 125.962 -2.458 25775
1041 1 7 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.245 0.393 25775
1042 1 7 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.932 -5.553 25775
1043 1 7 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.023 15.136 25775
1044 1 7 . 1 1 21 21 CYS H H 21 8.700 8.700 8.940 -0.240 25775
1045 1 7 . 1 1 22 22 ARG N N 22 131.352 131.352 128.485 2.867 25775
1046 1 7 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.527 -0.343 25775
1047 1 7 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.568 0.511 25775
1048 1 7 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.567 -1.192 25775
1049 1 7 . 1 1 22 22 ARG H H 22 8.425 8.425 8.151 0.274 25775
1050 1 7 . 1 1 23 23 SER N N 23 116.579 116.579 117.648 -1.069 25775
1051 1 7 . 1 1 23 23 SER HA H 23 4.259 4.259 4.298 -0.039 25775
1052 1 7 . 1 1 23 23 SER CA C 23 60.879 60.879 59.903 0.976 25775
1053 1 7 . 1 1 23 23 SER CB C 23 63.926 63.926 62.962 0.963 25775
1054 1 7 . 1 1 23 23 SER H H 23 8.191 8.191 8.774 -0.583 25775
1055 1 7 . 1 1 24 24 ASP N N 24 118.399 118.399 121.551 -3.152 25775
1056 1 7 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.556 0.035 25775
1057 1 7 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.731 -1.044 25775
1058 1 7 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.780 -1.242 25775
1059 1 7 . 1 1 24 24 ASP H H 24 7.746 7.746 8.473 -0.727 25775
1060 1 7 . 1 1 25 25 TRP N N 25 120.253 120.253 118.948 1.305 25775
1061 1 7 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.690 -0.019 25775
1062 1 7 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.509 -2.851 25775
1063 1 7 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.203 0.841 25775
1064 1 7 . 1 1 25 25 TRP H H 25 7.962 7.962 8.113 -0.151 25775
1065 1 7 . 1 1 26 26 LYS N N 26 114.205 114.205 116.245 -2.040 25775
1066 1 7 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.138 -0.228 25775
1067 1 7 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.258 -0.611 25775
1068 1 7 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.376 -1.391 25775
1069 1 7 . 1 1 26 26 LYS H H 26 8.161 8.161 8.365 -0.204 25775
1070 1 7 . 1 1 27 27 TYR N N 27 111.730 111.730 113.810 -2.080 25775
1071 1 7 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.030 0.492 25775
1072 1 7 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.730 0.124 25775
1073 1 7 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.696 0.574 25775
1074 1 7 . 1 1 27 27 TYR H H 27 6.879 6.879 7.915 -1.036 25775
1075 1 7 . 1 1 28 28 CYS N N 28 119.698 119.698 121.441 -1.743 25775
1076 1 7 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.304 0.559 25775
1077 1 7 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.358 -4.621 25775
1078 1 7 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.977 14.036 25775
1079 1 7 . 1 1 28 28 CYS H H 28 8.916 8.916 8.512 0.404 25775
1080 1 7 . 1 1 29 29 ALA N N 29 128.521 128.521 125.303 3.218 25775
1081 1 7 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.514 0.130 25775
1082 1 7 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.684 -0.166 25775
1083 1 7 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.855 1.192 25775
1084 1 7 . 1 1 29 29 ALA H H 29 9.484 9.484 8.038 1.446 25775
1085 1 7 . 1 1 30 30 TRP N N 30 120.346 120.346 122.550 -2.204 25775
1086 1 7 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.516 0.230 25775
1087 1 7 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.340 -0.343 25775
1088 1 7 . 1 1 30 30 TRP H H 30 7.950 7.950 8.644 -0.694 25775
1089 1 7 . 1 1 31 31 ASP N N 31 123.675 123.675 116.732 6.943 25775
1090 1 7 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.196 0.446 25775
1091 1 7 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.616 0.526 25775
1092 1 7 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.330 0.618 25775
1093 1 7 . 1 1 31 31 ASP H H 31 8.669 8.669 9.284 -0.615 25775
1094 1 7 . 1 1 32 32 GLY N N 32 109.050 109.050 107.007 2.043 25775
1095 1 7 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.600 -0.054 25775
1096 1 7 . 1 1 32 32 GLY H H 32 7.944 7.944 8.015 -0.071 25775
1097 1 7 . 1 1 33 33 THR N N 33 112.503 112.503 118.734 -6.231 25775
1098 1 7 . 1 1 33 33 THR HA H 33 4.316 4.316 4.243 0.073 25775
1099 1 7 . 1 1 33 33 THR CA C 33 62.025 62.025 63.208 -1.183 25775
1100 1 7 . 1 1 33 33 THR CB C 33 69.946 69.946 69.287 0.659 25775
1101 1 7 . 1 1 33 33 THR H H 33 7.944 7.944 7.910 0.034 25775
1102 1 7 . 1 1 34 34 PHE N N 34 121.576 121.576 124.734 -3.158 25775
1103 1 7 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.684 -0.060 25775
1104 1 7 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.033 0.362 25775
1105 1 7 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.497 -0.495 25775
1106 1 7 . 1 1 34 34 PHE H H 34 8.067 8.067 8.397 -0.330 25775
1107 1 8 . 1 1 2 2 CYS N N 2 120.899 120.899 117.932 2.967 25775
1108 1 8 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.571 -0.913 25775
1109 1 8 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.594 -2.669 25775
1110 1 8 . 1 1 2 2 CYS CB C 2 41.735 41.735 30.499 11.236 25775
1111 1 8 . 1 1 2 2 CYS H H 2 8.654 8.654 8.297 0.357 25775
1112 1 8 . 1 1 3 3 ARG N N 3 120.390 120.390 120.248 0.142 25775
1113 1 8 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.618 -0.189 25775
1114 1 8 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.303 0.892 25775
1115 1 8 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.341 -1.741 25775
1116 1 8 . 1 1 3 3 ARG H H 3 8.889 8.889 8.690 0.199 25775
1117 1 8 . 1 1 4 4 TYR N N 4 122.181 122.181 115.519 6.662 25775
1118 1 8 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.527 -0.277 25775
1119 1 8 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.009 -0.010 25775
1120 1 8 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.379 0.647 25775
1121 1 8 . 1 1 4 4 TYR H H 4 8.224 8.224 7.442 0.782 25775
1122 1 8 . 1 1 5 5 LEU N N 5 121.370 121.370 120.805 0.565 25775
1123 1 8 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.717 -0.350 25775
1124 1 8 . 1 1 5 5 LEU CA C 5 56.665 56.665 56.972 -0.307 25775
1125 1 8 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.811 0.442 25775
1126 1 8 . 1 1 5 5 LEU H H 5 6.651 6.651 8.263 -1.612 25775
1127 1 8 . 1 1 6 6 PHE N N 6 117.688 117.688 113.161 4.527 25775
1128 1 8 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.679 -0.911 25775
1129 1 8 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.382 1.897 25775
1130 1 8 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.289 -2.218 25775
1131 1 8 . 1 1 6 6 PHE H H 6 8.869 8.869 7.871 0.998 25775
1132 1 8 . 1 1 7 7 GLY N N 7 110.878 110.878 107.641 3.237 25775
1133 1 8 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.343 0.037 25775
1134 1 8 . 1 1 7 7 GLY H H 7 9.113 9.113 7.710 1.403 25775
1135 1 8 . 1 1 8 8 GLY N N 8 111.369 111.369 107.388 3.981 25775
1136 1 8 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.492 1.583 25775
1137 1 8 . 1 1 8 8 GLY H H 8 8.729 8.729 7.666 1.063 25775
1138 1 8 . 1 1 9 9 CYS N N 9 115.842 115.842 117.980 -2.138 25775
1139 1 8 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.835 0.113 25775
1140 1 8 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.735 -3.068 25775
1141 1 8 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.825 16.463 25775
1142 1 8 . 1 1 9 9 CYS H H 9 7.894 7.894 8.152 -0.258 25775
1143 1 8 . 1 1 10 10 SER N N 10 113.651 113.651 115.565 -1.914 25775
1144 1 8 . 1 1 10 10 SER HA H 10 4.591 4.591 4.644 -0.053 25775
1145 1 8 . 1 1 10 10 SER CA C 10 58.794 58.794 59.150 -0.356 25775
1146 1 8 . 1 1 10 10 SER CB C 10 64.468 64.468 64.135 0.333 25775
1147 1 8 . 1 1 10 10 SER H H 10 8.986 8.986 8.637 0.349 25775
1148 1 8 . 1 1 11 11 SER N N 11 115.967 115.967 115.189 0.778 25775
1149 1 8 . 1 1 11 11 SER HA H 11 4.668 4.668 4.789 -0.121 25775
1150 1 8 . 1 1 11 11 SER CA C 11 56.868 56.868 57.350 -0.482 25775
1151 1 8 . 1 1 11 11 SER CB C 11 65.742 65.742 65.784 -0.042 25775
1152 1 8 . 1 1 11 11 SER H H 11 8.009 8.009 7.493 0.516 25775
1153 1 8 . 1 1 12 12 THR N N 12 123.963 123.963 114.846 9.117 25775
1154 1 8 . 1 1 12 12 THR HA H 12 3.808 3.808 4.116 -0.308 25775
1155 1 8 . 1 1 12 12 THR CA C 12 67.368 67.368 64.215 3.153 25775
1156 1 8 . 1 1 12 12 THR CB C 12 69.100 69.100 68.622 0.478 25775
1157 1 8 . 1 1 12 12 THR H H 12 9.412 9.412 8.662 0.750 25775
1158 1 8 . 1 1 13 13 SER N N 13 121.263 121.263 115.772 5.491 25775
1159 1 8 . 1 1 13 13 SER HA H 13 4.012 4.012 4.201 -0.189 25775
1160 1 8 . 1 1 13 13 SER CA C 13 60.968 60.968 60.196 0.772 25775
1161 1 8 . 1 1 13 13 SER CB C 13 62.880 62.880 62.589 0.291 25775
1162 1 8 . 1 1 13 13 SER H H 13 8.728 8.728 8.316 0.412 25775
1163 1 8 . 1 1 14 14 ASP N N 14 118.050 118.050 120.742 -2.692 25775
1164 1 8 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.564 -0.327 25775
1165 1 8 . 1 1 14 14 ASP CA C 14 54.990 54.990 57.211 -2.221 25775
1166 1 8 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.301 -3.885 25775
1167 1 8 . 1 1 14 14 ASP H H 14 8.619 8.619 7.594 1.025 25775
1168 1 8 . 1 1 15 15 CYS N N 15 117.779 117.779 118.862 -1.083 25775
1169 1 8 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.345 0.776 25775
1170 1 8 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.297 -6.699 25775
1171 1 8 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.816 15.144 25775
1172 1 8 . 1 1 15 15 CYS H H 15 8.058 8.058 7.529 0.529 25775
1173 1 8 . 1 1 16 16 CYS N N 16 120.718 120.718 123.251 -2.533 25775
1174 1 8 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.452 0.128 25775
1175 1 8 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.465 -4.849 25775
1176 1 8 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.817 11.568 25775
1177 1 8 . 1 1 16 16 CYS H H 16 9.093 9.093 8.728 0.365 25775
1178 1 8 . 1 1 17 17 LYS N N 17 117.710 117.710 121.150 -3.440 25775
1179 1 8 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.159 -0.220 25775
1180 1 8 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.098 2.980 25775
1181 1 8 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.459 1.020 25775
1182 1 8 . 1 1 17 17 LYS H H 17 7.907 7.907 8.131 -0.224 25775
1183 1 8 . 1 1 18 18 HIS N N 18 112.192 112.192 112.358 -0.166 25775
1184 1 8 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.167 0.033 25775
1185 1 8 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.359 1.489 25775
1186 1 8 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.599 -0.698 25775
1187 1 8 . 1 1 18 18 HIS H H 18 8.578 8.578 8.031 0.547 25775
1188 1 8 . 1 1 19 19 LEU N N 19 118.755 118.755 117.321 1.434 25775
1189 1 8 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.880 0.176 25775
1190 1 8 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.936 1.103 25775
1191 1 8 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.687 -1.321 25775
1192 1 8 . 1 1 19 19 LEU H H 19 7.894 7.894 7.546 0.348 25775
1193 1 8 . 1 1 20 20 SER N N 20 113.497 113.497 115.330 -1.833 25775
1194 1 8 . 1 1 20 20 SER HA H 20 4.848 4.848 4.596 0.252 25775
1195 1 8 . 1 1 20 20 SER CA C 20 56.143 56.143 56.901 -0.758 25775
1196 1 8 . 1 1 20 20 SER CB C 20 65.870 65.870 64.745 1.125 25775
1197 1 8 . 1 1 20 20 SER H H 20 9.339 9.339 8.491 0.848 25775
1198 1 8 . 1 1 21 21 CYS N N 21 123.504 123.504 125.425 -1.921 25775
1199 1 8 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.207 0.431 25775
1200 1 8 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.843 -5.464 25775
1201 1 8 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.061 15.098 25775
1202 1 8 . 1 1 21 21 CYS H H 21 8.700 8.700 8.874 -0.174 25775
1203 1 8 . 1 1 22 22 ARG N N 22 131.352 131.352 128.080 3.272 25775
1204 1 8 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.404 -0.220 25775
1205 1 8 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.811 0.268 25775
1206 1 8 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.122 -0.747 25775
1207 1 8 . 1 1 22 22 ARG H H 22 8.425 8.425 8.203 0.222 25775
1208 1 8 . 1 1 23 23 SER N N 23 116.579 116.579 116.180 0.399 25775
1209 1 8 . 1 1 23 23 SER HA H 23 4.259 4.259 4.287 -0.028 25775
1210 1 8 . 1 1 23 23 SER CA C 23 60.879 60.879 60.322 0.557 25775
1211 1 8 . 1 1 23 23 SER CB C 23 63.926 63.926 63.170 0.756 25775
1212 1 8 . 1 1 23 23 SER H H 23 8.191 8.191 8.764 -0.573 25775
1213 1 8 . 1 1 24 24 ASP N N 24 118.399 118.399 120.992 -2.593 25775
1214 1 8 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.600 -0.009 25775
1215 1 8 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.491 -0.804 25775
1216 1 8 . 1 1 24 24 ASP CB C 24 39.538 39.538 41.014 -1.476 25775
1217 1 8 . 1 1 24 24 ASP H H 24 7.746 7.746 8.403 -0.657 25775
1218 1 8 . 1 1 25 25 TRP N N 25 120.253 120.253 119.307 0.946 25775
1219 1 8 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.737 -0.066 25775
1220 1 8 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.618 -2.960 25775
1221 1 8 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.158 0.886 25775
1222 1 8 . 1 1 25 25 TRP H H 25 7.962 7.962 8.145 -0.183 25775
1223 1 8 . 1 1 26 26 LYS N N 26 114.205 114.205 116.203 -1.998 25775
1224 1 8 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.146 -0.236 25775
1225 1 8 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.270 -0.623 25775
1226 1 8 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.350 -1.365 25775
1227 1 8 . 1 1 26 26 LYS H H 26 8.161 8.161 8.376 -0.215 25775
1228 1 8 . 1 1 27 27 TYR N N 27 111.730 111.730 113.795 -2.065 25775
1229 1 8 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.049 0.473 25775
1230 1 8 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.812 0.042 25775
1231 1 8 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.754 0.516 25775
1232 1 8 . 1 1 27 27 TYR H H 27 6.879 6.879 7.952 -1.073 25775
1233 1 8 . 1 1 28 28 CYS N N 28 119.698 119.698 121.116 -1.418 25775
1234 1 8 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.293 0.570 25775
1235 1 8 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.291 -4.554 25775
1236 1 8 . 1 1 28 28 CYS CB C 28 41.013 41.013 27.076 13.937 25775
1237 1 8 . 1 1 28 28 CYS H H 28 8.916 8.916 8.495 0.421 25775
1238 1 8 . 1 1 29 29 ALA N N 29 128.521 128.521 124.879 3.642 25775
1239 1 8 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.429 0.215 25775
1240 1 8 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.760 -0.242 25775
1241 1 8 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.784 1.264 25775
1242 1 8 . 1 1 29 29 ALA H H 29 9.484 9.484 7.996 1.488 25775
1243 1 8 . 1 1 30 30 TRP N N 30 120.346 120.346 122.927 -2.581 25775
1244 1 8 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.476 0.270 25775
1245 1 8 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.242 -0.244 25775
1246 1 8 . 1 1 30 30 TRP H H 30 7.950 7.950 8.408 -0.458 25775
1247 1 8 . 1 1 31 31 ASP N N 31 123.675 123.675 119.018 4.657 25775
1248 1 8 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.229 0.413 25775
1249 1 8 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.599 0.543 25775
1250 1 8 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.962 -1.014 25775
1251 1 8 . 1 1 31 31 ASP H H 31 8.669 8.669 9.223 -0.554 25775
1252 1 8 . 1 1 32 32 GLY N N 32 109.050 109.050 105.180 3.870 25775
1253 1 8 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.720 0.826 25775
1254 1 8 . 1 1 32 32 GLY H H 32 7.944 7.944 7.798 0.146 25775
1255 1 8 . 1 1 33 33 THR N N 33 112.503 112.503 112.539 -0.036 25775
1256 1 8 . 1 1 33 33 THR HA H 33 4.316 4.316 3.966 0.350 25775
1257 1 8 . 1 1 33 33 THR CA C 33 62.025 62.025 62.413 -0.388 25775
1258 1 8 . 1 1 33 33 THR CB C 33 69.946 69.946 69.198 0.748 25775
1259 1 8 . 1 1 33 33 THR H H 33 7.944 7.944 7.924 0.020 25775
1260 1 8 . 1 1 34 34 PHE N N 34 121.576 121.576 122.927 -1.351 25775
1261 1 8 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.788 -0.164 25775
1262 1 8 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.815 -0.420 25775
1263 1 8 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.195 -0.193 25775
1264 1 8 . 1 1 34 34 PHE H H 34 8.067 8.067 8.333 -0.266 25775
1265 1 9 . 1 1 2 2 CYS N N 2 120.899 120.899 118.692 2.207 25775
1266 1 9 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.183 -0.525 25775
1267 1 9 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.425 -2.500 25775
1268 1 9 . 1 1 2 2 CYS CB C 2 41.735 41.735 28.744 12.991 25775
1269 1 9 . 1 1 2 2 CYS H H 2 8.654 8.654 8.139 0.515 25775
1270 1 9 . 1 1 3 3 ARG N N 3 120.390 120.390 119.812 0.578 25775
1271 1 9 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.563 -0.134 25775
1272 1 9 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.411 0.785 25775
1273 1 9 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.045 -1.445 25775
1274 1 9 . 1 1 3 3 ARG H H 3 8.889 8.889 8.626 0.263 25775
1275 1 9 . 1 1 4 4 TYR N N 4 122.181 122.181 117.073 5.108 25775
1276 1 9 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.527 -0.277 25775
1277 1 9 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.008 -0.008 25775
1278 1 9 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.609 0.417 25775
1279 1 9 . 1 1 4 4 TYR H H 4 8.224 8.224 7.383 0.841 25775
1280 1 9 . 1 1 5 5 LEU N N 5 121.370 121.370 120.582 0.788 25775
1281 1 9 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.707 -0.340 25775
1282 1 9 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.269 -0.604 25775
1283 1 9 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.675 0.578 25775
1284 1 9 . 1 1 5 5 LEU H H 5 6.651 6.651 8.272 -1.621 25775
1285 1 9 . 1 1 6 6 PHE N N 6 117.688 117.688 113.549 4.139 25775
1286 1 9 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.678 -0.910 25775
1287 1 9 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.543 1.736 25775
1288 1 9 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.461 -2.389 25775
1289 1 9 . 1 1 6 6 PHE H H 6 8.869 8.869 7.968 0.901 25775
1290 1 9 . 1 1 7 7 GLY N N 7 110.878 110.878 107.679 3.199 25775
1291 1 9 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.593 -0.213 25775
1292 1 9 . 1 1 7 7 GLY H H 7 9.113 9.113 7.767 1.346 25775
1293 1 9 . 1 1 8 8 GLY N N 8 111.369 111.369 107.212 4.157 25775
1294 1 9 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.501 1.574 25775
1295 1 9 . 1 1 8 8 GLY H H 8 8.729 8.729 7.860 0.869 25775
1296 1 9 . 1 1 9 9 CYS N N 9 115.842 115.842 118.925 -3.083 25775
1297 1 9 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.283 -0.335 25775
1298 1 9 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.288 -2.621 25775
1299 1 9 . 1 1 9 9 CYS CB C 9 47.288 47.288 31.922 15.367 25775
1300 1 9 . 1 1 9 9 CYS H H 9 7.894 7.894 7.744 0.150 25775
1301 1 9 . 1 1 10 10 SER N N 10 113.651 113.651 114.641 -0.990 25775
1302 1 9 . 1 1 10 10 SER HA H 10 4.591 4.591 4.555 0.036 25775
1303 1 9 . 1 1 10 10 SER CA C 10 58.794 58.794 59.052 -0.258 25775
1304 1 9 . 1 1 10 10 SER CB C 10 64.468 64.468 64.473 -0.005 25775
1305 1 9 . 1 1 10 10 SER H H 10 8.986 8.986 8.487 0.499 25775
1306 1 9 . 1 1 11 11 SER N N 11 115.967 115.967 115.690 0.277 25775
1307 1 9 . 1 1 11 11 SER HA H 11 4.668 4.668 4.775 -0.107 25775
1308 1 9 . 1 1 11 11 SER CA C 11 56.868 56.868 56.687 0.181 25775
1309 1 9 . 1 1 11 11 SER CB C 11 65.742 65.742 65.541 0.201 25775
1310 1 9 . 1 1 11 11 SER H H 11 8.009 8.009 7.432 0.577 25775
1311 1 9 . 1 1 12 12 THR N N 12 123.963 123.963 116.507 7.456 25775
1312 1 9 . 1 1 12 12 THR HA H 12 3.808 3.808 4.148 -0.340 25775
1313 1 9 . 1 1 12 12 THR CA C 12 67.368 67.368 64.090 3.278 25775
1314 1 9 . 1 1 12 12 THR CB C 12 69.100 69.100 68.350 0.750 25775
1315 1 9 . 1 1 12 12 THR H H 12 9.412 9.412 8.678 0.734 25775
1316 1 9 . 1 1 13 13 SER N N 13 121.263 121.263 116.527 4.736 25775
1317 1 9 . 1 1 13 13 SER HA H 13 4.012 4.012 4.205 -0.193 25775
1318 1 9 . 1 1 13 13 SER CA C 13 60.968 60.968 60.739 0.229 25775
1319 1 9 . 1 1 13 13 SER CB C 13 62.880 62.880 62.947 -0.067 25775
1320 1 9 . 1 1 13 13 SER H H 13 8.728 8.728 7.687 1.041 25775
1321 1 9 . 1 1 14 14 ASP N N 14 118.050 118.050 120.189 -2.139 25775
1322 1 9 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.533 -0.296 25775
1323 1 9 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.305 -1.315 25775
1324 1 9 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.403 -3.986 25775
1325 1 9 . 1 1 14 14 ASP H H 14 8.619 8.619 7.746 0.873 25775
1326 1 9 . 1 1 15 15 CYS N N 15 117.779 117.779 119.372 -1.593 25775
1327 1 9 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.278 0.843 25775
1328 1 9 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.304 -6.706 25775
1329 1 9 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.775 15.185 25775
1330 1 9 . 1 1 15 15 CYS H H 15 8.058 8.058 7.640 0.418 25775
1331 1 9 . 1 1 16 16 CYS N N 16 120.718 120.718 123.465 -2.747 25775
1332 1 9 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.415 0.165 25775
1333 1 9 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.594 -4.978 25775
1334 1 9 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.968 11.417 25775
1335 1 9 . 1 1 16 16 CYS H H 16 9.093 9.093 8.724 0.369 25775
1336 1 9 . 1 1 17 17 LYS N N 17 117.710 117.710 120.793 -3.083 25775
1337 1 9 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.185 -0.246 25775
1338 1 9 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.265 2.813 25775
1339 1 9 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.497 0.982 25775
1340 1 9 . 1 1 17 17 LYS H H 17 7.907 7.907 8.125 -0.218 25775
1341 1 9 . 1 1 18 18 HIS N N 18 112.192 112.192 112.091 0.101 25775
1342 1 9 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.162 0.038 25775
1343 1 9 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.322 1.526 25775
1344 1 9 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.407 -0.506 25775
1345 1 9 . 1 1 18 18 HIS H H 18 8.578 8.578 8.005 0.573 25775
1346 1 9 . 1 1 19 19 LEU N N 19 118.755 118.755 117.354 1.401 25775
1347 1 9 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.845 0.211 25775
1348 1 9 . 1 1 19 19 LEU CA C 19 54.039 54.039 53.066 0.974 25775
1349 1 9 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.994 -0.628 25775
1350 1 9 . 1 1 19 19 LEU H H 19 7.894 7.894 7.537 0.357 25775
1351 1 9 . 1 1 20 20 SER N N 20 113.497 113.497 115.229 -1.732 25775
1352 1 9 . 1 1 20 20 SER HA H 20 4.848 4.848 4.557 0.291 25775
1353 1 9 . 1 1 20 20 SER CA C 20 56.143 56.143 57.275 -1.132 25775
1354 1 9 . 1 1 20 20 SER CB C 20 65.870 65.870 64.586 1.284 25775
1355 1 9 . 1 1 20 20 SER H H 20 9.339 9.339 8.471 0.868 25775
1356 1 9 . 1 1 21 21 CYS N N 21 123.504 123.504 126.283 -2.779 25775
1357 1 9 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.353 0.285 25775
1358 1 9 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.943 -5.564 25775
1359 1 9 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.133 15.026 25775
1360 1 9 . 1 1 21 21 CYS H H 21 8.700 8.700 8.911 -0.211 25775
1361 1 9 . 1 1 22 22 ARG N N 22 131.352 131.352 128.656 2.696 25775
1362 1 9 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.575 -0.391 25775
1363 1 9 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.516 0.563 25775
1364 1 9 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.822 -1.447 25775
1365 1 9 . 1 1 22 22 ARG H H 22 8.425 8.425 7.861 0.564 25775
1366 1 9 . 1 1 23 23 SER N N 23 116.579 116.579 118.357 -1.778 25775
1367 1 9 . 1 1 23 23 SER HA H 23 4.259 4.259 4.324 -0.065 25775
1368 1 9 . 1 1 23 23 SER CA C 23 60.879 60.879 60.131 0.748 25775
1369 1 9 . 1 1 23 23 SER CB C 23 63.926 63.926 62.861 1.065 25775
1370 1 9 . 1 1 23 23 SER H H 23 8.191 8.191 8.794 -0.603 25775
1371 1 9 . 1 1 24 24 ASP N N 24 118.399 118.399 122.044 -3.645 25775
1372 1 9 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.588 0.003 25775
1373 1 9 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.639 -0.952 25775
1374 1 9 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.544 -1.006 25775
1375 1 9 . 1 1 24 24 ASP H H 24 7.746 7.746 8.574 -0.828 25775
1376 1 9 . 1 1 25 25 TRP N N 25 120.253 120.253 118.525 1.728 25775
1377 1 9 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.709 -0.038 25775
1378 1 9 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.260 -2.602 25775
1379 1 9 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.659 0.385 25775
1380 1 9 . 1 1 25 25 TRP H H 25 7.962 7.962 8.048 -0.086 25775
1381 1 9 . 1 1 26 26 LYS N N 26 114.205 114.205 116.204 -1.999 25775
1382 1 9 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.153 -0.243 25775
1383 1 9 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.323 -0.676 25775
1384 1 9 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.456 -1.471 25775
1385 1 9 . 1 1 26 26 LYS H H 26 8.161 8.161 8.371 -0.210 25775
1386 1 9 . 1 1 27 27 TYR N N 27 111.730 111.730 113.265 -1.535 25775
1387 1 9 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.003 0.519 25775
1388 1 9 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.293 0.561 25775
1389 1 9 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.730 0.540 25775
1390 1 9 . 1 1 27 27 TYR H H 27 6.879 6.879 7.854 -0.975 25775
1391 1 9 . 1 1 28 28 CYS N N 28 119.698 119.698 122.395 -2.697 25775
1392 1 9 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.351 0.512 25775
1393 1 9 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.515 -4.778 25775
1394 1 9 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.655 14.358 25775
1395 1 9 . 1 1 28 28 CYS H H 28 8.916 8.916 8.572 0.344 25775
1396 1 9 . 1 1 29 29 ALA N N 29 128.521 128.521 125.603 2.918 25775
1397 1 9 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.444 0.200 25775
1398 1 9 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.450 0.068 25775
1399 1 9 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.749 1.299 25775
1400 1 9 . 1 1 29 29 ALA H H 29 9.484 9.484 8.081 1.403 25775
1401 1 9 . 1 1 30 30 TRP N N 30 120.346 120.346 122.860 -2.514 25775
1402 1 9 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.449 0.297 25775
1403 1 9 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.297 -0.299 25775
1404 1 9 . 1 1 30 30 TRP H H 30 7.950 7.950 8.425 -0.475 25775
1405 1 9 . 1 1 31 31 ASP N N 31 123.675 123.675 116.740 6.935 25775
1406 1 9 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.212 0.430 25775
1407 1 9 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.695 0.447 25775
1408 1 9 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.606 0.342 25775
1409 1 9 . 1 1 31 31 ASP H H 31 8.669 8.669 9.221 -0.552 25775
1410 1 9 . 1 1 32 32 GLY N N 32 109.050 109.050 106.407 2.643 25775
1411 1 9 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.456 0.090 25775
1412 1 9 . 1 1 32 32 GLY H H 32 7.944 7.944 8.007 -0.063 25775
1413 1 9 . 1 1 33 33 THR N N 33 112.503 112.503 115.562 -3.059 25775
1414 1 9 . 1 1 33 33 THR HA H 33 4.316 4.316 4.126 0.190 25775
1415 1 9 . 1 1 33 33 THR CA C 33 62.025 62.025 61.841 0.184 25775
1416 1 9 . 1 1 33 33 THR CB C 33 69.946 69.946 69.449 0.497 25775
1417 1 9 . 1 1 33 33 THR H H 33 7.944 7.944 7.997 -0.053 25775
1418 1 9 . 1 1 34 34 PHE N N 34 121.576 121.576 125.883 -4.307 25775
1419 1 9 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.613 0.011 25775
1420 1 9 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.595 -0.200 25775
1421 1 9 . 1 1 34 34 PHE CB C 34 40.002 40.002 38.547 1.455 25775
1422 1 9 . 1 1 34 34 PHE H H 34 8.067 8.067 8.359 -0.292 25775
1423 1 10 . 1 1 2 2 CYS N N 2 120.899 120.899 119.663 1.236 25775
1424 1 10 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.604 -0.946 25775
1425 1 10 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.879 -2.954 25775
1426 1 10 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.747 11.988 25775
1427 1 10 . 1 1 2 2 CYS H H 2 8.654 8.654 8.658 -0.004 25775
1428 1 10 . 1 1 3 3 ARG N N 3 120.390 120.390 120.111 0.279 25775
1429 1 10 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.620 -0.191 25775
1430 1 10 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.308 0.888 25775
1431 1 10 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.356 -1.756 25775
1432 1 10 . 1 1 3 3 ARG H H 3 8.889 8.889 8.697 0.192 25775
1433 1 10 . 1 1 4 4 TYR N N 4 122.181 122.181 115.586 6.595 25775
1434 1 10 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.549 -0.299 25775
1435 1 10 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.076 -0.077 25775
1436 1 10 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.403 0.623 25775
1437 1 10 . 1 1 4 4 TYR H H 4 8.224 8.224 7.466 0.758 25775
1438 1 10 . 1 1 5 5 LEU N N 5 121.370 121.370 120.794 0.576 25775
1439 1 10 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.782 -0.415 25775
1440 1 10 . 1 1 5 5 LEU CA C 5 56.665 56.665 56.892 -0.227 25775
1441 1 10 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.816 0.437 25775
1442 1 10 . 1 1 5 5 LEU H H 5 6.651 6.651 8.317 -1.666 25775
1443 1 10 . 1 1 6 6 PHE N N 6 117.688 117.688 112.939 4.749 25775
1444 1 10 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.673 -0.905 25775
1445 1 10 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.622 1.657 25775
1446 1 10 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.482 -2.411 25775
1447 1 10 . 1 1 6 6 PHE H H 6 8.869 8.869 7.999 0.870 25775
1448 1 10 . 1 1 7 7 GLY N N 7 110.878 110.878 107.697 3.181 25775
1449 1 10 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.359 0.021 25775
1450 1 10 . 1 1 7 7 GLY H H 7 9.113 9.113 7.734 1.379 25775
1451 1 10 . 1 1 8 8 GLY N N 8 111.369 111.369 107.292 4.077 25775
1452 1 10 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.459 1.617 25775
1453 1 10 . 1 1 8 8 GLY H H 8 8.729 8.729 7.717 1.012 25775
1454 1 10 . 1 1 9 9 CYS N N 9 115.842 115.842 118.273 -2.431 25775
1455 1 10 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.827 0.121 25775
1456 1 10 . 1 1 9 9 CYS CA C 9 53.667 53.667 57.463 -3.796 25775
1457 1 10 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.972 16.316 25775
1458 1 10 . 1 1 9 9 CYS H H 9 7.894 7.894 8.051 -0.157 25775
1459 1 10 . 1 1 10 10 SER N N 10 113.651 113.651 116.306 -2.655 25775
1460 1 10 . 1 1 10 10 SER HA H 10 4.591 4.591 4.636 -0.045 25775
1461 1 10 . 1 1 10 10 SER CA C 10 58.794 58.794 58.971 -0.177 25775
1462 1 10 . 1 1 10 10 SER CB C 10 64.468 64.468 64.321 0.147 25775
1463 1 10 . 1 1 10 10 SER H H 10 8.986 8.986 8.581 0.405 25775
1464 1 10 . 1 1 11 11 SER N N 11 115.967 115.967 117.137 -1.170 25775
1465 1 10 . 1 1 11 11 SER HA H 11 4.668 4.668 4.820 -0.152 25775
1466 1 10 . 1 1 11 11 SER CA C 11 56.868 56.868 56.997 -0.129 25775
1467 1 10 . 1 1 11 11 SER CB C 11 65.742 65.742 66.084 -0.342 25775
1468 1 10 . 1 1 11 11 SER H H 11 8.009 8.009 7.634 0.375 25775
1469 1 10 . 1 1 12 12 THR N N 12 123.963 123.963 114.907 9.056 25775
1470 1 10 . 1 1 12 12 THR HA H 12 3.808 3.808 4.139 -0.331 25775
1471 1 10 . 1 1 12 12 THR CA C 12 67.368 67.368 64.248 3.120 25775
1472 1 10 . 1 1 12 12 THR CB C 12 69.100 69.100 68.692 0.408 25775
1473 1 10 . 1 1 12 12 THR H H 12 9.412 9.412 8.686 0.726 25775
1474 1 10 . 1 1 13 13 SER N N 13 121.263 121.263 115.856 5.407 25775
1475 1 10 . 1 1 13 13 SER HA H 13 4.012 4.012 4.193 -0.181 25775
1476 1 10 . 1 1 13 13 SER CA C 13 60.968 60.968 60.100 0.868 25775
1477 1 10 . 1 1 13 13 SER CB C 13 62.880 62.880 62.818 0.062 25775
1478 1 10 . 1 1 13 13 SER H H 13 8.728 8.728 8.258 0.470 25775
1479 1 10 . 1 1 14 14 ASP N N 14 118.050 118.050 120.278 -2.228 25775
1480 1 10 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.543 -0.306 25775
1481 1 10 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.776 -1.786 25775
1482 1 10 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.505 -4.089 25775
1483 1 10 . 1 1 14 14 ASP H H 14 8.619 8.619 7.606 1.013 25775
1484 1 10 . 1 1 15 15 CYS N N 15 117.779 117.779 119.090 -1.311 25775
1485 1 10 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.344 0.777 25775
1486 1 10 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.164 -6.566 25775
1487 1 10 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.862 15.098 25775
1488 1 10 . 1 1 15 15 CYS H H 15 8.058 8.058 7.634 0.424 25775
1489 1 10 . 1 1 16 16 CYS N N 16 120.718 120.718 123.273 -2.555 25775
1490 1 10 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.481 0.099 25775
1491 1 10 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.516 -4.900 25775
1492 1 10 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.875 11.510 25775
1493 1 10 . 1 1 16 16 CYS H H 16 9.093 9.093 8.767 0.326 25775
1494 1 10 . 1 1 17 17 LYS N N 17 117.710 117.710 121.154 -3.444 25775
1495 1 10 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.169 -0.230 25775
1496 1 10 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.164 2.914 25775
1497 1 10 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.468 1.011 25775
1498 1 10 . 1 1 17 17 LYS H H 17 7.907 7.907 8.155 -0.248 25775
1499 1 10 . 1 1 18 18 HIS N N 18 112.192 112.192 112.257 -0.065 25775
1500 1 10 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.183 0.017 25775
1501 1 10 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.314 1.534 25775
1502 1 10 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.690 -0.789 25775
1503 1 10 . 1 1 18 18 HIS H H 18 8.578 8.578 8.102 0.476 25775
1504 1 10 . 1 1 19 19 LEU N N 19 118.755 118.755 117.195 1.560 25775
1505 1 10 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.935 0.121 25775
1506 1 10 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.937 1.102 25775
1507 1 10 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.440 -1.073 25775
1508 1 10 . 1 1 19 19 LEU H H 19 7.894 7.894 7.533 0.361 25775
1509 1 10 . 1 1 20 20 SER N N 20 113.497 113.497 115.009 -1.512 25775
1510 1 10 . 1 1 20 20 SER HA H 20 4.848 4.848 4.630 0.218 25775
1511 1 10 . 1 1 20 20 SER CA C 20 56.143 56.143 57.078 -0.935 25775
1512 1 10 . 1 1 20 20 SER CB C 20 65.870 65.870 65.045 0.825 25775
1513 1 10 . 1 1 20 20 SER H H 20 9.339 9.339 8.494 0.845 25775
1514 1 10 . 1 1 21 21 CYS N N 21 123.504 123.504 126.250 -2.746 25775
1515 1 10 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.282 0.356 25775
1516 1 10 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.869 -5.490 25775
1517 1 10 . 1 1 21 21 CYS CB C 21 41.159 41.159 25.874 15.285 25775
1518 1 10 . 1 1 21 21 CYS H H 21 8.700 8.700 8.913 -0.213 25775
1519 1 10 . 1 1 22 22 ARG N N 22 131.352 131.352 128.134 3.218 25775
1520 1 10 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.470 -0.286 25775
1521 1 10 . 1 1 22 22 ARG CA C 22 56.079 56.079 56.289 -0.211 25775
1522 1 10 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.442 -1.067 25775
1523 1 10 . 1 1 22 22 ARG H H 22 8.425 8.425 7.862 0.563 25775
1524 1 10 . 1 1 23 23 SER N N 23 116.579 116.579 117.468 -0.889 25775
1525 1 10 . 1 1 23 23 SER HA H 23 4.259 4.259 4.329 -0.070 25775
1526 1 10 . 1 1 23 23 SER CA C 23 60.879 60.879 60.381 0.498 25775
1527 1 10 . 1 1 23 23 SER CB C 23 63.926 63.926 63.061 0.865 25775
1528 1 10 . 1 1 23 23 SER H H 23 8.191 8.191 8.736 -0.545 25775
1529 1 10 . 1 1 24 24 ASP N N 24 118.399 118.399 121.958 -3.559 25775
1530 1 10 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.551 0.040 25775
1531 1 10 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.308 -0.621 25775
1532 1 10 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.654 -1.117 25775
1533 1 10 . 1 1 24 24 ASP H H 24 7.746 7.746 8.368 -0.622 25775
1534 1 10 . 1 1 25 25 TRP N N 25 120.253 120.253 118.818 1.435 25775
1535 1 10 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.727 -0.056 25775
1536 1 10 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.483 -2.825 25775
1537 1 10 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.215 0.830 25775
1538 1 10 . 1 1 25 25 TRP H H 25 7.962 7.962 8.135 -0.173 25775
1539 1 10 . 1 1 26 26 LYS N N 26 114.205 114.205 116.234 -2.029 25775
1540 1 10 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.138 -0.228 25775
1541 1 10 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.321 -0.674 25775
1542 1 10 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.358 -1.373 25775
1543 1 10 . 1 1 26 26 LYS H H 26 8.161 8.161 8.361 -0.200 25775
1544 1 10 . 1 1 27 27 TYR N N 27 111.730 111.730 113.870 -2.140 25775
1545 1 10 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.039 0.483 25775
1546 1 10 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.678 0.176 25775
1547 1 10 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.706 0.564 25775
1548 1 10 . 1 1 27 27 TYR H H 27 6.879 6.879 7.953 -1.074 25775
1549 1 10 . 1 1 28 28 CYS N N 28 119.698 119.698 121.202 -1.504 25775
1550 1 10 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.260 0.603 25775
1551 1 10 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.363 -4.626 25775
1552 1 10 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.947 14.066 25775
1553 1 10 . 1 1 28 28 CYS H H 28 8.916 8.916 8.489 0.427 25775
1554 1 10 . 1 1 29 29 ALA N N 29 128.521 128.521 125.037 3.484 25775
1555 1 10 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.359 0.285 25775
1556 1 10 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.697 -0.179 25775
1557 1 10 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.775 1.273 25775
1558 1 10 . 1 1 29 29 ALA H H 29 9.484 9.484 8.008 1.476 25775
1559 1 10 . 1 1 30 30 TRP N N 30 120.346 120.346 123.218 -2.872 25775
1560 1 10 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.521 0.225 25775
1561 1 10 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.640 -0.642 25775
1562 1 10 . 1 1 30 30 TRP H H 30 7.950 7.950 8.619 -0.669 25775
1563 1 10 . 1 1 31 31 ASP N N 31 123.675 123.675 119.058 4.617 25775
1564 1 10 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.271 0.371 25775
1565 1 10 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.154 -0.012 25775
1566 1 10 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.935 -0.987 25775
1567 1 10 . 1 1 31 31 ASP H H 31 8.669 8.669 9.087 -0.418 25775
1568 1 10 . 1 1 32 32 GLY N N 32 109.050 109.050 107.219 1.831 25775
1569 1 10 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.321 0.225 25775
1570 1 10 . 1 1 32 32 GLY H H 32 7.944 7.944 8.329 -0.385 25775
1571 1 10 . 1 1 33 33 THR N N 33 112.503 112.503 114.750 -2.247 25775
1572 1 10 . 1 1 33 33 THR HA H 33 4.316 4.316 4.280 0.036 25775
1573 1 10 . 1 1 33 33 THR CA C 33 62.025 62.025 61.788 0.237 25775
1574 1 10 . 1 1 33 33 THR CB C 33 69.946 69.946 69.361 0.585 25775
1575 1 10 . 1 1 33 33 THR H H 33 7.944 7.944 8.020 -0.076 25775
1576 1 10 . 1 1 34 34 PHE N N 34 121.576 121.576 118.329 3.247 25775
1577 1 10 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.745 -0.121 25775
1578 1 10 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.420 -0.026 25775
1579 1 10 . 1 1 34 34 PHE CB C 34 40.002 40.002 41.923 -1.921 25775
1580 1 10 . 1 1 34 34 PHE H H 34 8.067 8.067 8.165 -0.098 25775
1581 1 11 . 1 1 2 2 CYS N N 2 120.899 120.899 120.828 0.071 25775
1582 1 11 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.713 -1.055 25775
1583 1 11 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.549 -2.624 25775
1584 1 11 . 1 1 2 2 CYS CB C 2 41.735 41.735 30.331 11.404 25775
1585 1 11 . 1 1 2 2 CYS H H 2 8.654 8.654 8.677 -0.023 25775
1586 1 11 . 1 1 3 3 ARG N N 3 120.390 120.390 119.926 0.464 25775
1587 1 11 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.638 -0.209 25775
1588 1 11 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.272 0.924 25775
1589 1 11 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.320 -1.720 25775
1590 1 11 . 1 1 3 3 ARG H H 3 8.889 8.889 8.687 0.202 25775
1591 1 11 . 1 1 4 4 TYR N N 4 122.181 122.181 117.199 4.982 25775
1592 1 11 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.536 -0.286 25775
1593 1 11 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.184 -0.185 25775
1594 1 11 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.593 0.433 25775
1595 1 11 . 1 1 4 4 TYR H H 4 8.224 8.224 7.424 0.800 25775
1596 1 11 . 1 1 5 5 LEU N N 5 121.370 121.370 120.610 0.760 25775
1597 1 11 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.704 -0.337 25775
1598 1 11 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.276 -0.611 25775
1599 1 11 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.700 0.553 25775
1600 1 11 . 1 1 5 5 LEU H H 5 6.651 6.651 8.306 -1.655 25775
1601 1 11 . 1 1 6 6 PHE N N 6 117.688 117.688 113.647 4.041 25775
1602 1 11 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.658 -0.890 25775
1603 1 11 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.825 1.454 25775
1604 1 11 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.563 -2.492 25775
1605 1 11 . 1 1 6 6 PHE H H 6 8.869 8.869 8.098 0.771 25775
1606 1 11 . 1 1 7 7 GLY N N 7 110.878 110.878 107.587 3.291 25775
1607 1 11 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.547 -0.167 25775
1608 1 11 . 1 1 7 7 GLY H H 7 9.113 9.113 7.724 1.389 25775
1609 1 11 . 1 1 8 8 GLY N N 8 111.369 111.369 107.960 3.409 25775
1610 1 11 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.522 1.553 25775
1611 1 11 . 1 1 8 8 GLY H H 8 8.729 8.729 7.822 0.907 25775
1612 1 11 . 1 1 9 9 CYS N N 9 115.842 115.842 118.201 -2.359 25775
1613 1 11 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.909 0.039 25775
1614 1 11 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.092 -2.425 25775
1615 1 11 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.979 16.309 25775
1616 1 11 . 1 1 9 9 CYS H H 9 7.894 7.894 8.022 -0.128 25775
1617 1 11 . 1 1 10 10 SER N N 10 113.651 113.651 115.118 -1.467 25775
1618 1 11 . 1 1 10 10 SER HA H 10 4.591 4.591 4.618 -0.027 25775
1619 1 11 . 1 1 10 10 SER CA C 10 58.794 58.794 59.306 -0.512 25775
1620 1 11 . 1 1 10 10 SER CB C 10 64.468 64.468 63.597 0.871 25775
1621 1 11 . 1 1 10 10 SER H H 10 8.986 8.986 8.722 0.264 25775
1622 1 11 . 1 1 11 11 SER N N 11 115.967 115.967 113.804 2.163 25775
1623 1 11 . 1 1 11 11 SER HA H 11 4.668 4.668 4.736 -0.068 25775
1624 1 11 . 1 1 11 11 SER CA C 11 56.868 56.868 57.290 -0.422 25775
1625 1 11 . 1 1 11 11 SER CB C 11 65.742 65.742 65.937 -0.195 25775
1626 1 11 . 1 1 11 11 SER H H 11 8.009 8.009 7.805 0.204 25775
1627 1 11 . 1 1 12 12 THR N N 12 123.963 123.963 114.780 9.183 25775
1628 1 11 . 1 1 12 12 THR HA H 12 3.808 3.808 4.115 -0.307 25775
1629 1 11 . 1 1 12 12 THR CA C 12 67.368 67.368 64.075 3.293 25775
1630 1 11 . 1 1 12 12 THR CB C 12 69.100 69.100 68.416 0.684 25775
1631 1 11 . 1 1 12 12 THR H H 12 9.412 9.412 8.631 0.781 25775
1632 1 11 . 1 1 13 13 SER N N 13 121.263 121.263 115.899 5.364 25775
1633 1 11 . 1 1 13 13 SER HA H 13 4.012 4.012 4.191 -0.179 25775
1634 1 11 . 1 1 13 13 SER CA C 13 60.968 60.968 60.400 0.568 25775
1635 1 11 . 1 1 13 13 SER CB C 13 62.880 62.880 62.772 0.108 25775
1636 1 11 . 1 1 13 13 SER H H 13 8.728 8.728 8.173 0.555 25775
1637 1 11 . 1 1 14 14 ASP N N 14 118.050 118.050 120.433 -2.383 25775
1638 1 11 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.528 -0.291 25775
1639 1 11 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.186 -1.196 25775
1640 1 11 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.502 -4.086 25775
1641 1 11 . 1 1 14 14 ASP H H 14 8.619 8.619 7.633 0.986 25775
1642 1 11 . 1 1 15 15 CYS N N 15 117.779 117.779 118.997 -1.218 25775
1643 1 11 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.319 0.802 25775
1644 1 11 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.175 -6.577 25775
1645 1 11 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.897 15.063 25775
1646 1 11 . 1 1 15 15 CYS H H 15 8.058 8.058 7.627 0.431 25775
1647 1 11 . 1 1 16 16 CYS N N 16 120.718 120.718 123.482 -2.764 25775
1648 1 11 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.415 0.165 25775
1649 1 11 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.826 -5.210 25775
1650 1 11 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.831 11.554 25775
1651 1 11 . 1 1 16 16 CYS H H 16 9.093 9.093 8.832 0.261 25775
1652 1 11 . 1 1 17 17 LYS N N 17 117.710 117.710 121.553 -3.843 25775
1653 1 11 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.452 -0.513 25775
1654 1 11 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.957 3.121 25775
1655 1 11 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.867 0.612 25775
1656 1 11 . 1 1 17 17 LYS H H 17 7.907 7.907 8.199 -0.292 25775
1657 1 11 . 1 1 18 18 HIS N N 18 112.192 112.192 111.732 0.460 25775
1658 1 11 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.230 -0.030 25775
1659 1 11 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.264 1.585 25775
1660 1 11 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.456 -0.555 25775
1661 1 11 . 1 1 18 18 HIS H H 18 8.578 8.578 8.013 0.565 25775
1662 1 11 . 1 1 19 19 LEU N N 19 118.755 118.755 117.558 1.197 25775
1663 1 11 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.855 0.201 25775
1664 1 11 . 1 1 19 19 LEU CA C 19 54.039 54.039 53.263 0.776 25775
1665 1 11 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.402 -0.036 25775
1666 1 11 . 1 1 19 19 LEU H H 19 7.894 7.894 7.516 0.378 25775
1667 1 11 . 1 1 20 20 SER N N 20 113.497 113.497 115.942 -2.445 25775
1668 1 11 . 1 1 20 20 SER HA H 20 4.848 4.848 4.545 0.303 25775
1669 1 11 . 1 1 20 20 SER CA C 20 56.143 56.143 56.946 -0.803 25775
1670 1 11 . 1 1 20 20 SER CB C 20 65.870 65.870 64.414 1.456 25775
1671 1 11 . 1 1 20 20 SER H H 20 9.339 9.339 8.508 0.831 25775
1672 1 11 . 1 1 21 21 CYS N N 21 123.504 123.504 125.600 -2.096 25775
1673 1 11 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.334 0.304 25775
1674 1 11 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.889 -5.510 25775
1675 1 11 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.348 14.811 25775
1676 1 11 . 1 1 21 21 CYS H H 21 8.700 8.700 8.859 -0.159 25775
1677 1 11 . 1 1 22 22 ARG N N 22 131.352 131.352 128.118 3.234 25775
1678 1 11 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.585 -0.401 25775
1679 1 11 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.402 0.677 25775
1680 1 11 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.588 -1.213 25775
1681 1 11 . 1 1 22 22 ARG H H 22 8.425 8.425 7.875 0.550 25775
1682 1 11 . 1 1 23 23 SER N N 23 116.579 116.579 118.083 -1.504 25775
1683 1 11 . 1 1 23 23 SER HA H 23 4.259 4.259 4.318 -0.059 25775
1684 1 11 . 1 1 23 23 SER CA C 23 60.879 60.879 60.054 0.825 25775
1685 1 11 . 1 1 23 23 SER CB C 23 63.926 63.926 62.979 0.947 25775
1686 1 11 . 1 1 23 23 SER H H 23 8.191 8.191 8.823 -0.632 25775
1687 1 11 . 1 1 24 24 ASP N N 24 118.399 118.399 121.955 -3.556 25775
1688 1 11 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.616 -0.025 25775
1689 1 11 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.885 -1.198 25775
1690 1 11 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.342 -0.804 25775
1691 1 11 . 1 1 24 24 ASP H H 24 7.746 7.746 8.546 -0.800 25775
1692 1 11 . 1 1 25 25 TRP N N 25 120.253 120.253 118.801 1.452 25775
1693 1 11 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.749 -0.078 25775
1694 1 11 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.060 -2.402 25775
1695 1 11 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.567 0.477 25775
1696 1 11 . 1 1 25 25 TRP H H 25 7.962 7.962 7.984 -0.022 25775
1697 1 11 . 1 1 26 26 LYS N N 26 114.205 114.205 116.307 -2.102 25775
1698 1 11 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.150 -0.240 25775
1699 1 11 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.313 -0.666 25775
1700 1 11 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.382 -1.397 25775
1701 1 11 . 1 1 26 26 LYS H H 26 8.161 8.161 8.391 -0.230 25775
1702 1 11 . 1 1 27 27 TYR N N 27 111.730 111.730 113.835 -2.105 25775
1703 1 11 . 1 1 27 27 TYR HA H 27 5.522 5.522 4.996 0.526 25775
1704 1 11 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.724 0.130 25775
1705 1 11 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.652 0.618 25775
1706 1 11 . 1 1 27 27 TYR H H 27 6.879 6.879 7.887 -1.008 25775
1707 1 11 . 1 1 28 28 CYS N N 28 119.698 119.698 122.086 -2.388 25775
1708 1 11 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.345 0.518 25775
1709 1 11 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.449 -4.712 25775
1710 1 11 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.810 14.203 25775
1711 1 11 . 1 1 28 28 CYS H H 28 8.916 8.916 8.537 0.379 25775
1712 1 11 . 1 1 29 29 ALA N N 29 128.521 128.521 125.308 3.213 25775
1713 1 11 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.403 0.241 25775
1714 1 11 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.502 0.016 25775
1715 1 11 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.691 1.357 25775
1716 1 11 . 1 1 29 29 ALA H H 29 9.484 9.484 8.025 1.459 25775
1717 1 11 . 1 1 30 30 TRP N N 30 120.346 120.346 122.942 -2.596 25775
1718 1 11 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.481 0.265 25775
1719 1 11 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.188 -0.190 25775
1720 1 11 . 1 1 30 30 TRP H H 30 7.950 7.950 8.433 -0.483 25775
1721 1 11 . 1 1 31 31 ASP N N 31 123.675 123.675 117.281 6.394 25775
1722 1 11 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.266 0.376 25775
1723 1 11 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.632 0.510 25775
1724 1 11 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.519 0.429 25775
1725 1 11 . 1 1 31 31 ASP H H 31 8.669 8.669 9.208 -0.539 25775
1726 1 11 . 1 1 32 32 GLY N N 32 109.050 109.050 106.823 2.227 25775
1727 1 11 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.932 0.614 25775
1728 1 11 . 1 1 32 32 GLY H H 32 7.944 7.944 7.833 0.111 25775
1729 1 11 . 1 1 33 33 THR N N 33 112.503 112.503 116.292 -3.789 25775
1730 1 11 . 1 1 33 33 THR HA H 33 4.316 4.316 4.106 0.210 25775
1731 1 11 . 1 1 33 33 THR CA C 33 62.025 62.025 62.371 -0.346 25775
1732 1 11 . 1 1 33 33 THR CB C 33 69.946 69.946 69.390 0.556 25775
1733 1 11 . 1 1 33 33 THR H H 33 7.944 7.944 7.984 -0.040 25775
1734 1 11 . 1 1 34 34 PHE N N 34 121.576 121.576 122.125 -0.549 25775
1735 1 11 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.757 -0.133 25775
1736 1 11 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.621 -0.226 25775
1737 1 11 . 1 1 34 34 PHE CB C 34 40.002 40.002 39.200 0.802 25775
1738 1 11 . 1 1 34 34 PHE H H 34 8.067 8.067 8.338 -0.271 25775
1739 1 12 . 1 1 2 2 CYS N N 2 120.899 120.899 118.912 1.987 25775
1740 1 12 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.593 -0.935 25775
1741 1 12 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.502 -2.578 25775
1742 1 12 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.558 12.177 25775
1743 1 12 . 1 1 2 2 CYS H H 2 8.654 8.654 8.555 0.099 25775
1744 1 12 . 1 1 3 3 ARG N N 3 120.390 120.390 119.770 0.620 25775
1745 1 12 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.629 -0.200 25775
1746 1 12 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.450 0.746 25775
1747 1 12 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.257 -1.657 25775
1748 1 12 . 1 1 3 3 ARG H H 3 8.889 8.889 8.680 0.209 25775
1749 1 12 . 1 1 4 4 TYR N N 4 122.181 122.181 115.069 7.112 25775
1750 1 12 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.610 -0.360 25775
1751 1 12 . 1 1 4 4 TYR CA C 4 55.999 55.999 55.817 0.182 25775
1752 1 12 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.570 0.456 25775
1753 1 12 . 1 1 4 4 TYR H H 4 8.224 8.224 7.436 0.788 25775
1754 1 12 . 1 1 5 5 LEU N N 5 121.370 121.370 120.539 0.831 25775
1755 1 12 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.778 -0.411 25775
1756 1 12 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.171 -0.506 25775
1757 1 12 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.096 0.157 25775
1758 1 12 . 1 1 5 5 LEU H H 5 6.651 6.651 8.370 -1.719 25775
1759 1 12 . 1 1 6 6 PHE N N 6 117.688 117.688 113.918 3.770 25775
1760 1 12 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.582 -0.814 25775
1761 1 12 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.187 1.093 25775
1762 1 12 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.488 -2.417 25775
1763 1 12 . 1 1 6 6 PHE H H 6 8.869 8.869 8.417 0.452 25775
1764 1 12 . 1 1 7 7 GLY N N 7 110.878 110.878 107.562 3.316 25775
1765 1 12 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.633 -0.253 25775
1766 1 12 . 1 1 7 7 GLY H H 7 9.113 9.113 7.699 1.414 25775
1767 1 12 . 1 1 8 8 GLY N N 8 111.369 111.369 108.301 3.068 25775
1768 1 12 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.425 1.651 25775
1769 1 12 . 1 1 8 8 GLY H H 8 8.729 8.729 7.577 1.152 25775
1770 1 12 . 1 1 9 9 CYS N N 9 115.842 115.842 117.670 -1.828 25775
1771 1 12 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.990 -0.042 25775
1772 1 12 . 1 1 9 9 CYS CA C 9 53.667 53.667 57.193 -3.526 25775
1773 1 12 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.911 16.377 25775
1774 1 12 . 1 1 9 9 CYS H H 9 7.894 7.894 8.081 -0.187 25775
1775 1 12 . 1 1 10 10 SER N N 10 113.651 113.651 113.376 0.275 25775
1776 1 12 . 1 1 10 10 SER HA H 10 4.591 4.591 4.523 0.068 25775
1777 1 12 . 1 1 10 10 SER CA C 10 58.794 58.794 59.410 -0.616 25775
1778 1 12 . 1 1 10 10 SER CB C 10 64.468 64.468 64.313 0.155 25775
1779 1 12 . 1 1 10 10 SER H H 10 8.986 8.986 8.327 0.659 25775
1780 1 12 . 1 1 11 11 SER N N 11 115.967 115.967 114.164 1.803 25775
1781 1 12 . 1 1 11 11 SER HA H 11 4.668 4.668 4.638 0.030 25775
1782 1 12 . 1 1 11 11 SER CA C 11 56.868 56.868 56.184 0.684 25775
1783 1 12 . 1 1 11 11 SER CB C 11 65.742 65.742 64.927 0.815 25775
1784 1 12 . 1 1 11 11 SER H H 11 8.009 8.009 7.661 0.348 25775
1785 1 12 . 1 1 12 12 THR N N 12 123.963 123.963 116.565 7.398 25775
1786 1 12 . 1 1 12 12 THR HA H 12 3.808 3.808 4.115 -0.307 25775
1787 1 12 . 1 1 12 12 THR CA C 12 67.368 67.368 64.773 2.595 25775
1788 1 12 . 1 1 12 12 THR CB C 12 69.100 69.100 68.399 0.701 25775
1789 1 12 . 1 1 12 12 THR H H 12 9.412 9.412 8.648 0.764 25775
1790 1 12 . 1 1 13 13 SER N N 13 121.263 121.263 117.033 4.230 25775
1791 1 12 . 1 1 13 13 SER HA H 13 4.012 4.012 4.212 -0.200 25775
1792 1 12 . 1 1 13 13 SER CA C 13 60.968 60.968 60.157 0.811 25775
1793 1 12 . 1 1 13 13 SER CB C 13 62.880 62.880 62.872 0.008 25775
1794 1 12 . 1 1 13 13 SER H H 13 8.728 8.728 7.721 1.007 25775
1795 1 12 . 1 1 14 14 ASP N N 14 118.050 118.050 120.342 -2.292 25775
1796 1 12 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.573 -0.336 25775
1797 1 12 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.722 -1.732 25775
1798 1 12 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.160 -3.744 25775
1799 1 12 . 1 1 14 14 ASP H H 14 8.619 8.619 7.605 1.014 25775
1800 1 12 . 1 1 15 15 CYS N N 15 117.779 117.779 119.147 -1.368 25775
1801 1 12 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.376 0.745 25775
1802 1 12 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.340 -6.742 25775
1803 1 12 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.716 15.244 25775
1804 1 12 . 1 1 15 15 CYS H H 15 8.058 8.058 7.552 0.506 25775
1805 1 12 . 1 1 16 16 CYS N N 16 120.718 120.718 123.476 -2.758 25775
1806 1 12 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.520 0.060 25775
1807 1 12 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.611 -4.995 25775
1808 1 12 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.910 11.475 25775
1809 1 12 . 1 1 16 16 CYS H H 16 9.093 9.093 8.804 0.289 25775
1810 1 12 . 1 1 17 17 LYS N N 17 117.710 117.710 121.340 -3.630 25775
1811 1 12 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.469 -0.530 25775
1812 1 12 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.253 2.825 25775
1813 1 12 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.451 1.028 25775
1814 1 12 . 1 1 17 17 LYS H H 17 7.907 7.907 8.220 -0.313 25775
1815 1 12 . 1 1 18 18 HIS N N 18 112.192 112.192 115.257 -3.065 25775
1816 1 12 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.230 -0.030 25775
1817 1 12 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.114 1.734 25775
1818 1 12 . 1 1 18 18 HIS CB C 18 26.901 26.901 29.431 -2.530 25775
1819 1 12 . 1 1 18 18 HIS H H 18 8.578 8.578 8.311 0.267 25775
1820 1 12 . 1 1 19 19 LEU N N 19 118.755 118.755 116.869 1.886 25775
1821 1 12 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.864 0.192 25775
1822 1 12 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.704 1.335 25775
1823 1 12 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.803 -1.437 25775
1824 1 12 . 1 1 19 19 LEU H H 19 7.894 7.894 7.627 0.267 25775
1825 1 12 . 1 1 20 20 SER N N 20 113.497 113.497 115.374 -1.877 25775
1826 1 12 . 1 1 20 20 SER HA H 20 4.848 4.848 4.502 0.346 25775
1827 1 12 . 1 1 20 20 SER CA C 20 56.143 56.143 56.991 -0.848 25775
1828 1 12 . 1 1 20 20 SER CB C 20 65.870 65.870 64.930 0.941 25775
1829 1 12 . 1 1 20 20 SER H H 20 9.339 9.339 8.387 0.952 25775
1830 1 12 . 1 1 21 21 CYS N N 21 123.504 123.504 125.904 -2.400 25775
1831 1 12 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.287 0.351 25775
1832 1 12 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.739 -5.360 25775
1833 1 12 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.216 14.943 25775
1834 1 12 . 1 1 21 21 CYS H H 21 8.700 8.700 8.955 -0.255 25775
1835 1 12 . 1 1 22 22 ARG N N 22 131.352 131.352 128.215 3.137 25775
1836 1 12 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.532 -0.348 25775
1837 1 12 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.734 0.345 25775
1838 1 12 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.708 -1.333 25775
1839 1 12 . 1 1 22 22 ARG H H 22 8.425 8.425 8.281 0.144 25775
1840 1 12 . 1 1 23 23 SER N N 23 116.579 116.579 117.861 -1.282 25775
1841 1 12 . 1 1 23 23 SER HA H 23 4.259 4.259 4.378 -0.119 25775
1842 1 12 . 1 1 23 23 SER CA C 23 60.879 60.879 60.205 0.674 25775
1843 1 12 . 1 1 23 23 SER CB C 23 63.926 63.926 63.021 0.905 25775
1844 1 12 . 1 1 23 23 SER H H 23 8.191 8.191 8.806 -0.615 25775
1845 1 12 . 1 1 24 24 ASP N N 24 118.399 118.399 122.119 -3.720 25775
1846 1 12 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.593 -0.002 25775
1847 1 12 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.259 -0.572 25775
1848 1 12 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.512 -0.974 25775
1849 1 12 . 1 1 24 24 ASP H H 24 7.746 7.746 8.649 -0.903 25775
1850 1 12 . 1 1 25 25 TRP N N 25 120.253 120.253 119.089 1.164 25775
1851 1 12 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.723 -0.052 25775
1852 1 12 . 1 1 25 25 TRP CA C 25 54.658 54.658 56.944 -2.286 25775
1853 1 12 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.590 0.454 25775
1854 1 12 . 1 1 25 25 TRP H H 25 7.962 7.962 8.020 -0.058 25775
1855 1 12 . 1 1 26 26 LYS N N 26 114.205 114.205 116.526 -2.321 25775
1856 1 12 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.142 -0.232 25775
1857 1 12 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.278 -0.631 25775
1858 1 12 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.353 -1.368 25775
1859 1 12 . 1 1 26 26 LYS H H 26 8.161 8.161 8.388 -0.227 25775
1860 1 12 . 1 1 27 27 TYR N N 27 111.730 111.730 112.982 -1.252 25775
1861 1 12 . 1 1 27 27 TYR HA H 27 5.522 5.522 4.999 0.523 25775
1862 1 12 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.504 0.350 25775
1863 1 12 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.700 0.570 25775
1864 1 12 . 1 1 27 27 TYR H H 27 6.879 6.879 7.926 -1.047 25775
1865 1 12 . 1 1 28 28 CYS N N 28 119.698 119.698 120.695 -0.997 25775
1866 1 12 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.353 0.510 25775
1867 1 12 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.308 -4.571 25775
1868 1 12 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.997 14.016 25775
1869 1 12 . 1 1 28 28 CYS H H 28 8.916 8.916 8.597 0.319 25775
1870 1 12 . 1 1 29 29 ALA N N 29 128.521 128.521 125.287 3.234 25775
1871 1 12 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.423 0.221 25775
1872 1 12 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.495 0.023 25775
1873 1 12 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.647 1.401 25775
1874 1 12 . 1 1 29 29 ALA H H 29 9.484 9.484 8.008 1.476 25775
1875 1 12 . 1 1 30 30 TRP N N 30 120.346 120.346 122.557 -2.211 25775
1876 1 12 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.428 0.318 25775
1877 1 12 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.198 -0.200 25775
1878 1 12 . 1 1 30 30 TRP H H 30 7.950 7.950 8.439 -0.489 25775
1879 1 12 . 1 1 31 31 ASP N N 31 123.675 123.675 116.984 6.691 25775
1880 1 12 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.151 0.491 25775
1881 1 12 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.654 0.488 25775
1882 1 12 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.480 0.468 25775
1883 1 12 . 1 1 31 31 ASP H H 31 8.669 8.669 9.216 -0.547 25775
1884 1 12 . 1 1 32 32 GLY N N 32 109.050 109.050 107.162 1.888 25775
1885 1 12 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.197 0.349 25775
1886 1 12 . 1 1 32 32 GLY H H 32 7.944 7.944 7.886 0.058 25775
1887 1 12 . 1 1 33 33 THR N N 33 112.503 112.503 113.411 -0.908 25775
1888 1 12 . 1 1 33 33 THR HA H 33 4.316 4.316 4.005 0.311 25775
1889 1 12 . 1 1 33 33 THR CA C 33 62.025 62.025 61.801 0.224 25775
1890 1 12 . 1 1 33 33 THR CB C 33 69.946 69.946 69.410 0.535 25775
1891 1 12 . 1 1 33 33 THR H H 33 7.944 7.944 7.818 0.126 25775
1892 1 12 . 1 1 34 34 PHE N N 34 121.576 121.576 118.782 2.794 25775
1893 1 12 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.855 -0.231 25775
1894 1 12 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.712 -0.317 25775
1895 1 12 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.648 -0.646 25775
1896 1 12 . 1 1 34 34 PHE H H 34 8.067 8.067 8.255 -0.188 25775
1897 1 13 . 1 1 2 2 CYS N N 2 120.899 120.899 120.009 0.890 25775
1898 1 13 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.375 -0.717 25775
1899 1 13 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.812 -2.887 25775
1900 1 13 . 1 1 2 2 CYS CB C 2 41.735 41.735 28.193 13.542 25775
1901 1 13 . 1 1 2 2 CYS H H 2 8.654 8.654 8.589 0.065 25775
1902 1 13 . 1 1 3 3 ARG N N 3 120.390 120.390 119.751 0.639 25775
1903 1 13 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.583 -0.154 25775
1904 1 13 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.345 0.851 25775
1905 1 13 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.227 -1.627 25775
1906 1 13 . 1 1 3 3 ARG H H 3 8.889 8.889 8.581 0.308 25775
1907 1 13 . 1 1 4 4 TYR N N 4 122.181 122.181 116.800 5.381 25775
1908 1 13 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.508 -0.258 25775
1909 1 13 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.041 -0.042 25775
1910 1 13 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.436 0.590 25775
1911 1 13 . 1 1 4 4 TYR H H 4 8.224 8.224 7.474 0.750 25775
1912 1 13 . 1 1 5 5 LEU N N 5 121.370 121.370 120.229 1.141 25775
1913 1 13 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.675 -0.308 25775
1914 1 13 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.678 -1.012 25775
1915 1 13 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.749 0.503 25775
1916 1 13 . 1 1 5 5 LEU H H 5 6.651 6.651 8.212 -1.561 25775
1917 1 13 . 1 1 6 6 PHE N N 6 117.688 117.688 113.803 3.885 25775
1918 1 13 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.586 -0.818 25775
1919 1 13 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.113 1.166 25775
1920 1 13 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.328 -2.257 25775
1921 1 13 . 1 1 6 6 PHE H H 6 8.869 8.869 8.260 0.609 25775
1922 1 13 . 1 1 7 7 GLY N N 7 110.878 110.878 107.410 3.468 25775
1923 1 13 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.408 -0.028 25775
1924 1 13 . 1 1 7 7 GLY H H 7 9.113 9.113 7.628 1.485 25775
1925 1 13 . 1 1 8 8 GLY N N 8 111.369 111.369 107.224 4.145 25775
1926 1 13 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.418 1.657 25775
1927 1 13 . 1 1 8 8 GLY H H 8 8.729 8.729 7.657 1.072 25775
1928 1 13 . 1 1 9 9 CYS N N 9 115.842 115.842 118.727 -2.885 25775
1929 1 13 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.035 -0.087 25775
1930 1 13 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.894 -3.227 25775
1931 1 13 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.922 16.366 25775
1932 1 13 . 1 1 9 9 CYS H H 9 7.894 7.894 8.258 -0.364 25775
1933 1 13 . 1 1 10 10 SER N N 10 113.651 113.651 115.958 -2.307 25775
1934 1 13 . 1 1 10 10 SER HA H 10 4.591 4.591 4.673 -0.082 25775
1935 1 13 . 1 1 10 10 SER CA C 10 58.794 58.794 58.733 0.062 25775
1936 1 13 . 1 1 10 10 SER CB C 10 64.468 64.468 64.597 -0.129 25775
1937 1 13 . 1 1 10 10 SER H H 10 8.986 8.986 8.514 0.472 25775
1938 1 13 . 1 1 11 11 SER N N 11 115.967 115.967 114.435 1.532 25775
1939 1 13 . 1 1 11 11 SER HA H 11 4.668 4.668 4.769 -0.101 25775
1940 1 13 . 1 1 11 11 SER CA C 11 56.868 56.868 57.078 -0.210 25775
1941 1 13 . 1 1 11 11 SER CB C 11 65.742 65.742 66.056 -0.314 25775
1942 1 13 . 1 1 11 11 SER H H 11 8.009 8.009 7.392 0.617 25775
1943 1 13 . 1 1 12 12 THR N N 12 123.963 123.963 115.622 8.341 25775
1944 1 13 . 1 1 12 12 THR HA H 12 3.808 3.808 4.091 -0.283 25775
1945 1 13 . 1 1 12 12 THR CA C 12 67.368 67.368 64.810 2.558 25775
1946 1 13 . 1 1 12 12 THR CB C 12 69.100 69.100 68.608 0.492 25775
1947 1 13 . 1 1 12 12 THR H H 12 9.412 9.412 8.679 0.733 25775
1948 1 13 . 1 1 13 13 SER N N 13 121.263 121.263 116.454 4.809 25775
1949 1 13 . 1 1 13 13 SER HA H 13 4.012 4.012 4.235 -0.223 25775
1950 1 13 . 1 1 13 13 SER CA C 13 60.968 60.968 60.253 0.715 25775
1951 1 13 . 1 1 13 13 SER CB C 13 62.880 62.880 62.723 0.157 25775
1952 1 13 . 1 1 13 13 SER H H 13 8.728 8.728 8.289 0.439 25775
1953 1 13 . 1 1 14 14 ASP N N 14 118.050 118.050 120.705 -2.655 25775
1954 1 13 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.569 -0.332 25775
1955 1 13 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.620 -1.630 25775
1956 1 13 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.461 -4.045 25775
1957 1 13 . 1 1 14 14 ASP H H 14 8.619 8.619 7.625 0.994 25775
1958 1 13 . 1 1 15 15 CYS N N 15 117.779 117.779 119.223 -1.444 25775
1959 1 13 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.331 0.790 25775
1960 1 13 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.257 -6.659 25775
1961 1 13 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.815 15.145 25775
1962 1 13 . 1 1 15 15 CYS H H 15 8.058 8.058 7.658 0.400 25775
1963 1 13 . 1 1 16 16 CYS N N 16 120.718 120.718 123.505 -2.787 25775
1964 1 13 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.503 0.077 25775
1965 1 13 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.774 -5.158 25775
1966 1 13 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.934 11.451 25775
1967 1 13 . 1 1 16 16 CYS H H 16 9.093 9.093 8.833 0.260 25775
1968 1 13 . 1 1 17 17 LYS N N 17 117.710 117.710 120.818 -3.108 25775
1969 1 13 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.148 -0.209 25775
1970 1 13 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.733 3.345 25775
1971 1 13 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.337 1.142 25775
1972 1 13 . 1 1 17 17 LYS H H 17 7.907 7.907 8.146 -0.239 25775
1973 1 13 . 1 1 18 18 HIS N N 18 112.192 112.192 111.761 0.431 25775
1974 1 13 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.213 -0.013 25775
1975 1 13 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.283 1.565 25775
1976 1 13 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.418 -0.517 25775
1977 1 13 . 1 1 18 18 HIS H H 18 8.578 8.578 8.108 0.470 25775
1978 1 13 . 1 1 19 19 LEU N N 19 118.755 118.755 117.327 1.428 25775
1979 1 13 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.986 0.070 25775
1980 1 13 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.916 1.123 25775
1981 1 13 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.694 -1.328 25775
1982 1 13 . 1 1 19 19 LEU H H 19 7.894 7.894 7.635 0.259 25775
1983 1 13 . 1 1 20 20 SER N N 20 113.497 113.497 115.612 -2.115 25775
1984 1 13 . 1 1 20 20 SER HA H 20 4.848 4.848 4.590 0.258 25775
1985 1 13 . 1 1 20 20 SER CA C 20 56.143 56.143 57.324 -1.181 25775
1986 1 13 . 1 1 20 20 SER CB C 20 65.870 65.870 65.019 0.851 25775
1987 1 13 . 1 1 20 20 SER H H 20 9.339 9.339 8.547 0.792 25775
1988 1 13 . 1 1 21 21 CYS N N 21 123.504 123.504 125.589 -2.085 25775
1989 1 13 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.287 0.351 25775
1990 1 13 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.680 -5.301 25775
1991 1 13 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.150 15.009 25775
1992 1 13 . 1 1 21 21 CYS H H 21 8.700 8.700 8.958 -0.258 25775
1993 1 13 . 1 1 22 22 ARG N N 22 131.352 131.352 128.009 3.343 25775
1994 1 13 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.522 -0.338 25775
1995 1 13 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.144 0.935 25775
1996 1 13 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.532 -1.157 25775
1997 1 13 . 1 1 22 22 ARG H H 22 8.425 8.425 8.397 0.028 25775
1998 1 13 . 1 1 23 23 SER N N 23 116.579 116.579 117.044 -0.465 25775
1999 1 13 . 1 1 23 23 SER HA H 23 4.259 4.259 4.353 -0.094 25775
2000 1 13 . 1 1 23 23 SER CA C 23 60.879 60.879 60.215 0.664 25775
2001 1 13 . 1 1 23 23 SER CB C 23 63.926 63.926 63.129 0.797 25775
2002 1 13 . 1 1 23 23 SER H H 23 8.191 8.191 8.712 -0.521 25775
2003 1 13 . 1 1 24 24 ASP N N 24 118.399 118.399 121.224 -2.825 25775
2004 1 13 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.583 0.008 25775
2005 1 13 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.911 -1.224 25775
2006 1 13 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.819 -1.281 25775
2007 1 13 . 1 1 24 24 ASP H H 24 7.746 7.746 8.522 -0.776 25775
2008 1 13 . 1 1 25 25 TRP N N 25 120.253 120.253 119.077 1.176 25775
2009 1 13 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.743 -0.072 25775
2010 1 13 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.439 -2.781 25775
2011 1 13 . 1 1 25 25 TRP CB C 25 31.044 31.044 29.989 1.055 25775
2012 1 13 . 1 1 25 25 TRP H H 25 7.962 7.962 8.030 -0.068 25775
2013 1 13 . 1 1 26 26 LYS N N 26 114.205 114.205 116.280 -2.075 25775
2014 1 13 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.136 -0.226 25775
2015 1 13 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.220 -0.573 25775
2016 1 13 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.365 -1.380 25775
2017 1 13 . 1 1 26 26 LYS H H 26 8.161 8.161 8.361 -0.200 25775
2018 1 13 . 1 1 27 27 TYR N N 27 111.730 111.730 112.876 -1.146 25775
2019 1 13 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.006 0.516 25775
2020 1 13 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.409 0.445 25775
2021 1 13 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.727 0.543 25775
2022 1 13 . 1 1 27 27 TYR H H 27 6.879 6.879 7.927 -1.048 25775
2023 1 13 . 1 1 28 28 CYS N N 28 119.698 119.698 120.602 -0.904 25775
2024 1 13 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.377 0.486 25775
2025 1 13 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.289 -4.552 25775
2026 1 13 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.964 14.049 25775
2027 1 13 . 1 1 28 28 CYS H H 28 8.916 8.916 8.588 0.328 25775
2028 1 13 . 1 1 29 29 ALA N N 29 128.521 128.521 125.487 3.034 25775
2029 1 13 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.429 0.215 25775
2030 1 13 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.515 0.003 25775
2031 1 13 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.721 1.327 25775
2032 1 13 . 1 1 29 29 ALA H H 29 9.484 9.484 8.075 1.409 25775
2033 1 13 . 1 1 30 30 TRP N N 30 120.346 120.346 122.759 -2.413 25775
2034 1 13 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.532 0.214 25775
2035 1 13 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.224 -0.226 25775
2036 1 13 . 1 1 30 30 TRP H H 30 7.950 7.950 8.517 -0.567 25775
2037 1 13 . 1 1 31 31 ASP N N 31 123.675 123.675 117.007 6.668 25775
2038 1 13 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.252 0.390 25775
2039 1 13 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.756 0.386 25775
2040 1 13 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.478 0.470 25775
2041 1 13 . 1 1 31 31 ASP H H 31 8.669 8.669 9.307 -0.638 25775
2042 1 13 . 1 1 32 32 GLY N N 32 109.050 109.050 107.233 1.817 25775
2043 1 13 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.926 0.620 25775
2044 1 13 . 1 1 32 32 GLY H H 32 7.944 7.944 7.934 0.010 25775
2045 1 13 . 1 1 33 33 THR N N 33 112.503 112.503 116.111 -3.608 25775
2046 1 13 . 1 1 33 33 THR HA H 33 4.316 4.316 4.261 0.055 25775
2047 1 13 . 1 1 33 33 THR CA C 33 62.025 62.025 62.653 -0.628 25775
2048 1 13 . 1 1 33 33 THR CB C 33 69.946 69.946 69.261 0.685 25775
2049 1 13 . 1 1 33 33 THR H H 33 7.944 7.944 8.078 -0.134 25775
2050 1 13 . 1 1 34 34 PHE N N 34 121.576 121.576 124.639 -3.063 25775
2051 1 13 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.593 0.031 25775
2052 1 13 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.489 -0.094 25775
2053 1 13 . 1 1 34 34 PHE CB C 34 40.002 40.002 37.669 2.333 25775
2054 1 13 . 1 1 34 34 PHE H H 34 8.067 8.067 8.821 -0.754 25775
2055 1 14 . 1 1 2 2 CYS N N 2 120.899 120.899 119.129 1.770 25775
2056 1 14 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.605 -0.947 25775
2057 1 14 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.754 -2.829 25775
2058 1 14 . 1 1 2 2 CYS CB C 2 41.735 41.735 30.367 11.367 25775
2059 1 14 . 1 1 2 2 CYS H H 2 8.654 8.654 8.668 -0.014 25775
2060 1 14 . 1 1 3 3 ARG N N 3 120.390 120.390 119.690 0.700 25775
2061 1 14 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.638 -0.209 25775
2062 1 14 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.443 0.753 25775
2063 1 14 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.285 -1.685 25775
2064 1 14 . 1 1 3 3 ARG H H 3 8.889 8.889 8.696 0.193 25775
2065 1 14 . 1 1 4 4 TYR N N 4 122.181 122.181 115.084 7.097 25775
2066 1 14 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.602 -0.352 25775
2067 1 14 . 1 1 4 4 TYR CA C 4 55.999 55.999 55.809 0.190 25775
2068 1 14 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.555 0.471 25775
2069 1 14 . 1 1 4 4 TYR H H 4 8.224 8.224 7.429 0.795 25775
2070 1 14 . 1 1 5 5 LEU N N 5 121.370 121.370 120.524 0.846 25775
2071 1 14 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.773 -0.406 25775
2072 1 14 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.215 -0.550 25775
2073 1 14 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.141 0.112 25775
2074 1 14 . 1 1 5 5 LEU H H 5 6.651 6.651 8.359 -1.708 25775
2075 1 14 . 1 1 6 6 PHE N N 6 117.688 117.688 114.439 3.249 25775
2076 1 14 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.587 -0.819 25775
2077 1 14 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.392 0.887 25775
2078 1 14 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.565 -2.494 25775
2079 1 14 . 1 1 6 6 PHE H H 6 8.869 8.869 8.444 0.425 25775
2080 1 14 . 1 1 7 7 GLY N N 7 110.878 110.878 107.326 3.552 25775
2081 1 14 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.454 -0.074 25775
2082 1 14 . 1 1 7 7 GLY H H 7 9.113 9.113 7.623 1.490 25775
2083 1 14 . 1 1 8 8 GLY N N 8 111.369 111.369 107.221 4.148 25775
2084 1 14 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.423 1.652 25775
2085 1 14 . 1 1 8 8 GLY H H 8 8.729 8.729 7.666 1.063 25775
2086 1 14 . 1 1 9 9 CYS N N 9 115.842 115.842 119.029 -3.187 25775
2087 1 14 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.839 0.109 25775
2088 1 14 . 1 1 9 9 CYS CA C 9 53.667 53.667 57.133 -3.466 25775
2089 1 14 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.256 17.032 25775
2090 1 14 . 1 1 9 9 CYS H H 9 7.894 7.894 8.186 -0.292 25775
2091 1 14 . 1 1 10 10 SER N N 10 113.651 113.651 114.306 -0.655 25775
2092 1 14 . 1 1 10 10 SER HA H 10 4.591 4.591 4.496 0.095 25775
2093 1 14 . 1 1 10 10 SER CA C 10 58.794 58.794 59.249 -0.455 25775
2094 1 14 . 1 1 10 10 SER CB C 10 64.468 64.468 64.185 0.283 25775
2095 1 14 . 1 1 10 10 SER H H 10 8.986 8.986 8.344 0.642 25775
2096 1 14 . 1 1 11 11 SER N N 11 115.967 115.967 114.575 1.392 25775
2097 1 14 . 1 1 11 11 SER HA H 11 4.668 4.668 4.705 -0.036 25775
2098 1 14 . 1 1 11 11 SER CA C 11 56.868 56.868 56.586 0.282 25775
2099 1 14 . 1 1 11 11 SER CB C 11 65.742 65.742 65.051 0.691 25775
2100 1 14 . 1 1 11 11 SER H H 11 8.009 8.009 7.766 0.243 25775
2101 1 14 . 1 1 12 12 THR N N 12 123.963 123.963 116.153 7.810 25775
2102 1 14 . 1 1 12 12 THR HA H 12 3.808 3.808 4.134 -0.326 25775
2103 1 14 . 1 1 12 12 THR CA C 12 67.368 67.368 64.130 3.238 25775
2104 1 14 . 1 1 12 12 THR CB C 12 69.100 69.100 68.770 0.330 25775
2105 1 14 . 1 1 12 12 THR H H 12 9.412 9.412 8.666 0.746 25775
2106 1 14 . 1 1 13 13 SER N N 13 121.263 121.263 116.096 5.167 25775
2107 1 14 . 1 1 13 13 SER HA H 13 4.012 4.012 4.212 -0.200 25775
2108 1 14 . 1 1 13 13 SER CA C 13 60.968 60.968 60.552 0.416 25775
2109 1 14 . 1 1 13 13 SER CB C 13 62.880 62.880 62.888 -0.008 25775
2110 1 14 . 1 1 13 13 SER H H 13 8.728 8.728 8.052 0.676 25775
2111 1 14 . 1 1 14 14 ASP N N 14 118.050 118.050 120.464 -2.414 25775
2112 1 14 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.558 -0.321 25775
2113 1 14 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.835 -1.845 25775
2114 1 14 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.226 -3.810 25775
2115 1 14 . 1 1 14 14 ASP H H 14 8.619 8.619 7.614 1.005 25775
2116 1 14 . 1 1 15 15 CYS N N 15 117.779 117.779 119.038 -1.259 25775
2117 1 14 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.362 0.759 25775
2118 1 14 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.328 -6.730 25775
2119 1 14 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.727 15.233 25775
2120 1 14 . 1 1 15 15 CYS H H 15 8.058 8.058 7.542 0.516 25775
2121 1 14 . 1 1 16 16 CYS N N 16 120.718 120.718 123.625 -2.907 25775
2122 1 14 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.514 0.066 25775
2123 1 14 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.873 -5.257 25775
2124 1 14 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.828 11.557 25775
2125 1 14 . 1 1 16 16 CYS H H 16 9.093 9.093 8.865 0.228 25775
2126 1 14 . 1 1 17 17 LYS N N 17 117.710 117.710 121.668 -3.958 25775
2127 1 14 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.414 -0.475 25775
2128 1 14 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.748 3.330 25775
2129 1 14 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.492 0.987 25775
2130 1 14 . 1 1 17 17 LYS H H 17 7.907 7.907 8.182 -0.275 25775
2131 1 14 . 1 1 18 18 HIS N N 18 112.192 112.192 114.932 -2.740 25775
2132 1 14 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.250 -0.050 25775
2133 1 14 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.218 1.630 25775
2134 1 14 . 1 1 18 18 HIS CB C 18 26.901 26.901 29.255 -2.354 25775
2135 1 14 . 1 1 18 18 HIS H H 18 8.578 8.578 8.261 0.317 25775
2136 1 14 . 1 1 19 19 LEU N N 19 118.755 118.755 116.796 1.959 25775
2137 1 14 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.783 0.273 25775
2138 1 14 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.429 1.610 25775
2139 1 14 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.653 -1.286 25775
2140 1 14 . 1 1 19 19 LEU H H 19 7.894 7.894 7.539 0.355 25775
2141 1 14 . 1 1 20 20 SER N N 20 113.497 113.497 114.853 -1.356 25775
2142 1 14 . 1 1 20 20 SER HA H 20 4.848 4.848 4.511 0.337 25775
2143 1 14 . 1 1 20 20 SER CA C 20 56.143 56.143 56.361 -0.218 25775
2144 1 14 . 1 1 20 20 SER CB C 20 65.870 65.870 64.538 1.331 25775
2145 1 14 . 1 1 20 20 SER H H 20 9.339 9.339 8.361 0.978 25775
2146 1 14 . 1 1 21 21 CYS N N 21 123.504 123.504 125.275 -1.771 25775
2147 1 14 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.264 0.374 25775
2148 1 14 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.890 -5.511 25775
2149 1 14 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.035 15.124 25775
2150 1 14 . 1 1 21 21 CYS H H 21 8.700 8.700 8.881 -0.181 25775
2151 1 14 . 1 1 22 22 ARG N N 22 131.352 131.352 128.711 2.641 25775
2152 1 14 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.521 -0.337 25775
2153 1 14 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.282 0.797 25775
2154 1 14 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.119 -0.744 25775
2155 1 14 . 1 1 22 22 ARG H H 22 8.425 8.425 8.381 0.044 25775
2156 1 14 . 1 1 23 23 SER N N 23 116.579 116.579 117.165 -0.586 25775
2157 1 14 . 1 1 23 23 SER HA H 23 4.259 4.259 4.326 -0.067 25775
2158 1 14 . 1 1 23 23 SER CA C 23 60.879 60.879 59.846 1.033 25775
2159 1 14 . 1 1 23 23 SER CB C 23 63.926 63.926 63.134 0.792 25775
2160 1 14 . 1 1 23 23 SER H H 23 8.191 8.191 8.787 -0.596 25775
2161 1 14 . 1 1 24 24 ASP N N 24 118.399 118.399 120.903 -2.504 25775
2162 1 14 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.683 -0.092 25775
2163 1 14 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.572 -0.885 25775
2164 1 14 . 1 1 24 24 ASP CB C 24 39.538 39.538 41.108 -1.571 25775
2165 1 14 . 1 1 24 24 ASP H H 24 7.746 7.746 8.489 -0.743 25775
2166 1 14 . 1 1 25 25 TRP N N 25 120.253 120.253 119.028 1.225 25775
2167 1 14 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.727 -0.056 25775
2168 1 14 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.202 -2.544 25775
2169 1 14 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.139 0.905 25775
2170 1 14 . 1 1 25 25 TRP H H 25 7.962 7.962 8.108 -0.146 25775
2171 1 14 . 1 1 26 26 LYS N N 26 114.205 114.205 116.362 -2.157 25775
2172 1 14 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.140 -0.230 25775
2173 1 14 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.243 -0.596 25775
2174 1 14 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.378 -1.393 25775
2175 1 14 . 1 1 26 26 LYS H H 26 8.161 8.161 8.382 -0.221 25775
2176 1 14 . 1 1 27 27 TYR N N 27 111.730 111.730 112.880 -1.150 25775
2177 1 14 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.007 0.515 25775
2178 1 14 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.422 0.432 25775
2179 1 14 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.731 0.539 25775
2180 1 14 . 1 1 27 27 TYR H H 27 6.879 6.879 7.936 -1.057 25775
2181 1 14 . 1 1 28 28 CYS N N 28 119.698 119.698 120.554 -0.856 25775
2182 1 14 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.347 0.516 25775
2183 1 14 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.240 -4.503 25775
2184 1 14 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.982 14.031 25775
2185 1 14 . 1 1 28 28 CYS H H 28 8.916 8.916 8.584 0.332 25775
2186 1 14 . 1 1 29 29 ALA N N 29 128.521 128.521 125.434 3.087 25775
2187 1 14 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.400 0.244 25775
2188 1 14 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.432 0.086 25775
2189 1 14 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.585 1.463 25775
2190 1 14 . 1 1 29 29 ALA H H 29 9.484 9.484 7.972 1.512 25775
2191 1 14 . 1 1 30 30 TRP N N 30 120.346 120.346 122.848 -2.502 25775
2192 1 14 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.449 0.297 25775
2193 1 14 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.411 -0.413 25775
2194 1 14 . 1 1 30 30 TRP H H 30 7.950 7.950 8.590 -0.640 25775
2195 1 14 . 1 1 31 31 ASP N N 31 123.675 123.675 117.371 6.304 25775
2196 1 14 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.230 0.412 25775
2197 1 14 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.107 0.035 25775
2198 1 14 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.372 -0.424 25775
2199 1 14 . 1 1 31 31 ASP H H 31 8.669 8.669 9.131 -0.462 25775
2200 1 14 . 1 1 32 32 GLY N N 32 109.050 109.050 106.202 2.848 25775
2201 1 14 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.618 0.928 25775
2202 1 14 . 1 1 32 32 GLY H H 32 7.944 7.944 7.693 0.251 25775
2203 1 14 . 1 1 33 33 THR N N 33 112.503 112.503 110.563 1.940 25775
2204 1 14 . 1 1 33 33 THR HA H 33 4.316 4.316 3.972 0.344 25775
2205 1 14 . 1 1 33 33 THR CA C 33 62.025 62.025 62.177 -0.152 25775
2206 1 14 . 1 1 33 33 THR CB C 33 69.946 69.946 69.429 0.517 25775
2207 1 14 . 1 1 33 33 THR H H 33 7.944 7.944 7.971 -0.027 25775
2208 1 14 . 1 1 34 34 PHE N N 34 121.576 121.576 121.415 0.161 25775
2209 1 14 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.764 -0.140 25775
2210 1 14 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.286 0.109 25775
2211 1 14 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.877 -0.875 25775
2212 1 14 . 1 1 34 34 PHE H H 34 8.067 8.067 8.345 -0.278 25775
2213 1 15 . 1 1 2 2 CYS N N 2 120.899 120.899 120.028 0.871 25775
2214 1 15 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.297 -0.639 25775
2215 1 15 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.656 -2.731 25775
2216 1 15 . 1 1 2 2 CYS CB C 2 41.735 41.735 28.605 13.130 25775
2217 1 15 . 1 1 2 2 CYS H H 2 8.654 8.654 8.470 0.184 25775
2218 1 15 . 1 1 3 3 ARG N N 3 120.390 120.390 120.206 0.184 25775
2219 1 15 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.574 -0.145 25775
2220 1 15 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.420 0.776 25775
2221 1 15 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.140 -1.540 25775
2222 1 15 . 1 1 3 3 ARG H H 3 8.889 8.889 8.597 0.292 25775
2223 1 15 . 1 1 4 4 TYR N N 4 122.181 122.181 115.994 6.187 25775
2224 1 15 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.594 -0.344 25775
2225 1 15 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.001 -0.002 25775
2226 1 15 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.654 0.373 25775
2227 1 15 . 1 1 4 4 TYR H H 4 8.224 8.224 7.363 0.861 25775
2228 1 15 . 1 1 5 5 LEU N N 5 121.370 121.370 120.607 0.763 25775
2229 1 15 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.814 -0.448 25775
2230 1 15 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.370 -0.705 25775
2231 1 15 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.259 -0.006 25775
2232 1 15 . 1 1 5 5 LEU H H 5 6.651 6.651 8.422 -1.771 25775
2233 1 15 . 1 1 6 6 PHE N N 6 117.688 117.688 114.048 3.640 25775
2234 1 15 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.592 -0.824 25775
2235 1 15 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.205 1.074 25775
2236 1 15 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.476 -2.405 25775
2237 1 15 . 1 1 6 6 PHE H H 6 8.869 8.869 8.611 0.258 25775
2238 1 15 . 1 1 7 7 GLY N N 7 110.878 110.878 107.614 3.264 25775
2239 1 15 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.636 -0.256 25775
2240 1 15 . 1 1 7 7 GLY H H 7 9.113 9.113 7.749 1.364 25775
2241 1 15 . 1 1 8 8 GLY N N 8 111.369 111.369 108.657 2.712 25775
2242 1 15 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.436 1.639 25775
2243 1 15 . 1 1 8 8 GLY H H 8 8.729 8.729 7.589 1.140 25775
2244 1 15 . 1 1 9 9 CYS N N 9 115.842 115.842 117.385 -1.543 25775
2245 1 15 . 1 1 9 9 CYS HA H 9 4.948 4.948 4.982 -0.034 25775
2246 1 15 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.506 -2.839 25775
2247 1 15 . 1 1 9 9 CYS CB C 9 47.288 47.288 31.221 16.067 25775
2248 1 15 . 1 1 9 9 CYS H H 9 7.894 7.894 8.064 -0.170 25775
2249 1 15 . 1 1 10 10 SER N N 10 113.651 113.651 114.375 -0.724 25775
2250 1 15 . 1 1 10 10 SER HA H 10 4.591 4.591 4.528 0.063 25775
2251 1 15 . 1 1 10 10 SER CA C 10 58.794 58.794 59.372 -0.578 25775
2252 1 15 . 1 1 10 10 SER CB C 10 64.468 64.468 64.533 -0.065 25775
2253 1 15 . 1 1 10 10 SER H H 10 8.986 8.986 8.540 0.446 25775
2254 1 15 . 1 1 11 11 SER N N 11 115.967 115.967 115.988 -0.021 25775
2255 1 15 . 1 1 11 11 SER HA H 11 4.668 4.668 4.737 -0.069 25775
2256 1 15 . 1 1 11 11 SER CA C 11 56.868 56.868 56.541 0.327 25775
2257 1 15 . 1 1 11 11 SER CB C 11 65.742 65.742 64.696 1.046 25775
2258 1 15 . 1 1 11 11 SER H H 11 8.009 8.009 7.873 0.136 25775
2259 1 15 . 1 1 12 12 THR N N 12 123.963 123.963 116.042 7.921 25775
2260 1 15 . 1 1 12 12 THR HA H 12 3.808 3.808 4.133 -0.325 25775
2261 1 15 . 1 1 12 12 THR CA C 12 67.368 67.368 63.841 3.527 25775
2262 1 15 . 1 1 12 12 THR CB C 12 69.100 69.100 68.679 0.421 25775
2263 1 15 . 1 1 12 12 THR H H 12 9.412 9.412 8.669 0.743 25775
2264 1 15 . 1 1 13 13 SER N N 13 121.263 121.263 116.314 4.949 25775
2265 1 15 . 1 1 13 13 SER HA H 13 4.012 4.012 4.218 -0.206 25775
2266 1 15 . 1 1 13 13 SER CA C 13 60.968 60.968 60.606 0.362 25775
2267 1 15 . 1 1 13 13 SER CB C 13 62.880 62.880 62.645 0.235 25775
2268 1 15 . 1 1 13 13 SER H H 13 8.728 8.728 8.017 0.711 25775
2269 1 15 . 1 1 14 14 ASP N N 14 118.050 118.050 121.278 -3.228 25775
2270 1 15 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.578 -0.341 25775
2271 1 15 . 1 1 14 14 ASP CA C 14 54.990 54.990 55.905 -0.915 25775
2272 1 15 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.150 -3.734 25775
2273 1 15 . 1 1 14 14 ASP H H 14 8.619 8.619 7.640 0.979 25775
2274 1 15 . 1 1 15 15 CYS N N 15 117.779 117.779 118.858 -1.079 25775
2275 1 15 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.362 0.759 25775
2276 1 15 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.145 -6.548 25775
2277 1 15 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.715 15.245 25775
2278 1 15 . 1 1 15 15 CYS H H 15 8.058 8.058 7.564 0.494 25775
2279 1 15 . 1 1 16 16 CYS N N 16 120.718 120.718 123.624 -2.906 25775
2280 1 15 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.433 0.147 25775
2281 1 15 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.448 -4.832 25775
2282 1 15 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.829 11.556 25775
2283 1 15 . 1 1 16 16 CYS H H 16 9.093 9.093 8.674 0.419 25775
2284 1 15 . 1 1 17 17 LYS N N 17 117.710 117.710 120.732 -3.022 25775
2285 1 15 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.212 -0.273 25775
2286 1 15 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.895 3.183 25775
2287 1 15 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.263 1.216 25775
2288 1 15 . 1 1 17 17 LYS H H 17 7.907 7.907 8.097 -0.190 25775
2289 1 15 . 1 1 18 18 HIS N N 18 112.192 112.192 112.172 0.020 25775
2290 1 15 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.227 -0.027 25775
2291 1 15 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.292 1.556 25775
2292 1 15 . 1 1 18 18 HIS CB C 18 26.901 26.901 28.181 -1.280 25775
2293 1 15 . 1 1 18 18 HIS H H 18 8.578 8.578 8.232 0.346 25775
2294 1 15 . 1 1 19 19 LEU N N 19 118.755 118.755 116.966 1.789 25775
2295 1 15 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.951 0.105 25775
2296 1 15 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.724 1.315 25775
2297 1 15 . 1 1 19 19 LEU CB C 19 44.366 44.366 46.056 -1.690 25775
2298 1 15 . 1 1 19 19 LEU H H 19 7.894 7.894 7.529 0.365 25775
2299 1 15 . 1 1 20 20 SER N N 20 113.497 113.497 115.227 -1.730 25775
2300 1 15 . 1 1 20 20 SER HA H 20 4.848 4.848 4.549 0.299 25775
2301 1 15 . 1 1 20 20 SER CA C 20 56.143 56.143 56.508 -0.365 25775
2302 1 15 . 1 1 20 20 SER CB C 20 65.870 65.870 64.917 0.953 25775
2303 1 15 . 1 1 20 20 SER H H 20 9.339 9.339 8.397 0.942 25775
2304 1 15 . 1 1 21 21 CYS N N 21 123.504 123.504 125.662 -2.158 25775
2305 1 15 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.327 0.311 25775
2306 1 15 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.685 -5.306 25775
2307 1 15 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.551 14.608 25775
2308 1 15 . 1 1 21 21 CYS H H 21 8.700 8.700 8.875 -0.175 25775
2309 1 15 . 1 1 22 22 ARG N N 22 131.352 131.352 127.966 3.386 25775
2310 1 15 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.649 -0.465 25775
2311 1 15 . 1 1 22 22 ARG CA C 22 56.079 56.079 54.704 1.375 25775
2312 1 15 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.557 -1.182 25775
2313 1 15 . 1 1 22 22 ARG H H 22 8.425 8.425 8.570 -0.145 25775
2314 1 15 . 1 1 23 23 SER N N 23 116.579 116.579 117.542 -0.963 25775
2315 1 15 . 1 1 23 23 SER HA H 23 4.259 4.259 4.314 -0.055 25775
2316 1 15 . 1 1 23 23 SER CA C 23 60.879 60.879 59.830 1.049 25775
2317 1 15 . 1 1 23 23 SER CB C 23 63.926 63.926 63.270 0.656 25775
2318 1 15 . 1 1 23 23 SER H H 23 8.191 8.191 8.906 -0.715 25775
2319 1 15 . 1 1 24 24 ASP N N 24 118.399 118.399 120.331 -1.932 25775
2320 1 15 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.661 -0.070 25775
2321 1 15 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.641 -0.954 25775
2322 1 15 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.933 -1.395 25775
2323 1 15 . 1 1 24 24 ASP H H 24 7.746 7.746 8.432 -0.686 25775
2324 1 15 . 1 1 25 25 TRP N N 25 120.253 120.253 119.417 0.836 25775
2325 1 15 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.680 -0.009 25775
2326 1 15 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.554 -2.896 25775
2327 1 15 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.113 0.931 25775
2328 1 15 . 1 1 25 25 TRP H H 25 7.962 7.962 8.074 -0.112 25775
2329 1 15 . 1 1 26 26 LYS N N 26 114.205 114.205 115.989 -1.784 25775
2330 1 15 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.150 -0.240 25775
2331 1 15 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.236 -0.589 25775
2332 1 15 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.367 -1.382 25775
2333 1 15 . 1 1 26 26 LYS H H 26 8.161 8.161 8.383 -0.222 25775
2334 1 15 . 1 1 27 27 TYR N N 27 111.730 111.730 112.844 -1.114 25775
2335 1 15 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.005 0.517 25775
2336 1 15 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.478 0.376 25775
2337 1 15 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.521 0.749 25775
2338 1 15 . 1 1 27 27 TYR H H 27 6.879 6.879 7.926 -1.047 25775
2339 1 15 . 1 1 28 28 CYS N N 28 119.698 119.698 120.352 -0.654 25775
2340 1 15 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.374 0.489 25775
2341 1 15 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.164 -4.427 25775
2342 1 15 . 1 1 28 28 CYS CB C 28 41.013 41.013 27.433 13.580 25775
2343 1 15 . 1 1 28 28 CYS H H 28 8.916 8.916 8.568 0.348 25775
2344 1 15 . 1 1 29 29 ALA N N 29 128.521 128.521 123.879 4.642 25775
2345 1 15 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.434 0.210 25775
2346 1 15 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.942 -0.424 25775
2347 1 15 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.619 1.429 25775
2348 1 15 . 1 1 29 29 ALA H H 29 9.484 9.484 8.014 1.470 25775
2349 1 15 . 1 1 30 30 TRP N N 30 120.346 120.346 123.042 -2.696 25775
2350 1 15 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.529 0.216 25775
2351 1 15 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.440 -0.442 25775
2352 1 15 . 1 1 30 30 TRP H H 30 7.950 7.950 8.669 -0.719 25775
2353 1 15 . 1 1 31 31 ASP N N 31 123.675 123.675 118.121 5.554 25775
2354 1 15 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.288 0.354 25775
2355 1 15 . 1 1 31 31 ASP CA C 31 55.142 55.142 55.221 -0.079 25775
2356 1 15 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.813 -0.865 25775
2357 1 15 . 1 1 31 31 ASP H H 31 8.669 8.669 9.127 -0.458 25775
2358 1 15 . 1 1 32 32 GLY N N 32 109.050 109.050 106.365 2.685 25775
2359 1 15 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.850 0.696 25775
2360 1 15 . 1 1 32 32 GLY H H 32 7.944 7.944 8.015 -0.071 25775
2361 1 15 . 1 1 33 33 THR N N 33 112.503 112.503 115.372 -2.869 25775
2362 1 15 . 1 1 33 33 THR HA H 33 4.316 4.316 3.976 0.340 25775
2363 1 15 . 1 1 33 33 THR CA C 33 62.025 62.025 63.097 -1.072 25775
2364 1 15 . 1 1 33 33 THR CB C 33 69.946 69.946 69.173 0.773 25775
2365 1 15 . 1 1 33 33 THR H H 33 7.944 7.944 7.973 -0.029 25775
2366 1 15 . 1 1 34 34 PHE N N 34 121.576 121.576 123.846 -2.270 25775
2367 1 15 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.755 -0.131 25775
2368 1 15 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.432 -0.037 25775
2369 1 15 . 1 1 34 34 PHE CB C 34 40.002 40.002 38.370 1.631 25775
2370 1 15 . 1 1 34 34 PHE H H 34 8.067 8.067 8.708 -0.641 25775
2371 1 16 . 1 1 2 2 CYS N N 2 120.899 120.899 120.122 0.777 25775
2372 1 16 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.458 -0.800 25775
2373 1 16 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.119 -2.194 25775
2374 1 16 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.337 12.398 25775
2375 1 16 . 1 1 2 2 CYS H H 2 8.654 8.654 8.504 0.150 25775
2376 1 16 . 1 1 3 3 ARG N N 3 120.390 120.390 120.296 0.094 25775
2377 1 16 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.597 -0.168 25775
2378 1 16 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.369 0.827 25775
2379 1 16 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.136 -1.536 25775
2380 1 16 . 1 1 3 3 ARG H H 3 8.889 8.889 8.666 0.223 25775
2381 1 16 . 1 1 4 4 TYR N N 4 122.181 122.181 117.224 4.957 25775
2382 1 16 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.511 -0.261 25775
2383 1 16 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.278 -0.279 25775
2384 1 16 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.577 0.450 25775
2385 1 16 . 1 1 4 4 TYR H H 4 8.224 8.224 7.430 0.794 25775
2386 1 16 . 1 1 5 5 LEU N N 5 121.370 121.370 120.721 0.649 25775
2387 1 16 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.703 -0.336 25775
2388 1 16 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.327 -0.662 25775
2389 1 16 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.739 0.514 25775
2390 1 16 . 1 1 5 5 LEU H H 5 6.651 6.651 8.336 -1.685 25775
2391 1 16 . 1 1 6 6 PHE N N 6 117.688 117.688 113.312 4.376 25775
2392 1 16 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.638 -0.870 25775
2393 1 16 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.873 1.406 25775
2394 1 16 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.641 -2.570 25775
2395 1 16 . 1 1 6 6 PHE H H 6 8.869 8.869 8.239 0.630 25775
2396 1 16 . 1 1 7 7 GLY N N 7 110.878 110.878 107.559 3.319 25775
2397 1 16 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.380 0.000 25775
2398 1 16 . 1 1 7 7 GLY H H 7 9.113 9.113 7.704 1.409 25775
2399 1 16 . 1 1 8 8 GLY N N 8 111.369 111.369 107.325 4.044 25775
2400 1 16 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.484 1.591 25775
2401 1 16 . 1 1 8 8 GLY H H 8 8.729 8.729 7.662 1.067 25775
2402 1 16 . 1 1 9 9 CYS N N 9 115.842 115.842 117.874 -2.032 25775
2403 1 16 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.028 -0.080 25775
2404 1 16 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.327 -2.660 25775
2405 1 16 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.809 16.479 25775
2406 1 16 . 1 1 9 9 CYS H H 9 7.894 7.894 8.002 -0.108 25775
2407 1 16 . 1 1 10 10 SER N N 10 113.651 113.651 116.215 -2.564 25775
2408 1 16 . 1 1 10 10 SER HA H 10 4.591 4.591 4.633 -0.042 25775
2409 1 16 . 1 1 10 10 SER CA C 10 58.794 58.794 58.703 0.091 25775
2410 1 16 . 1 1 10 10 SER CB C 10 64.468 64.468 64.561 -0.093 25775
2411 1 16 . 1 1 10 10 SER H H 10 8.986 8.986 8.504 0.482 25775
2412 1 16 . 1 1 11 11 SER N N 11 115.967 115.967 113.730 2.237 25775
2413 1 16 . 1 1 11 11 SER HA H 11 4.668 4.668 4.749 -0.081 25775
2414 1 16 . 1 1 11 11 SER CA C 11 56.868 56.868 56.140 0.728 25775
2415 1 16 . 1 1 11 11 SER CB C 11 65.742 65.742 64.310 1.432 25775
2416 1 16 . 1 1 11 11 SER H H 11 8.009 8.009 7.579 0.430 25775
2417 1 16 . 1 1 12 12 THR N N 12 123.963 123.963 115.749 8.214 25775
2418 1 16 . 1 1 12 12 THR HA H 12 3.808 3.808 4.148 -0.340 25775
2419 1 16 . 1 1 12 12 THR CA C 12 67.368 67.368 64.400 2.967 25775
2420 1 16 . 1 1 12 12 THR CB C 12 69.100 69.100 68.258 0.841 25775
2421 1 16 . 1 1 12 12 THR H H 12 9.412 9.412 8.692 0.720 25775
2422 1 16 . 1 1 13 13 SER N N 13 121.263 121.263 117.220 4.043 25775
2423 1 16 . 1 1 13 13 SER HA H 13 4.012 4.012 4.255 -0.243 25775
2424 1 16 . 1 1 13 13 SER CA C 13 60.968 60.968 60.926 0.042 25775
2425 1 16 . 1 1 13 13 SER CB C 13 62.880 62.880 62.763 0.117 25775
2426 1 16 . 1 1 13 13 SER H H 13 8.728 8.728 7.870 0.858 25775
2427 1 16 . 1 1 14 14 ASP N N 14 118.050 118.050 120.541 -2.491 25775
2428 1 16 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.558 -0.321 25775
2429 1 16 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.770 -1.780 25775
2430 1 16 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.469 -4.053 25775
2431 1 16 . 1 1 14 14 ASP H H 14 8.619 8.619 7.648 0.971 25775
2432 1 16 . 1 1 15 15 CYS N N 15 117.779 117.779 119.037 -1.258 25775
2433 1 16 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.341 0.780 25775
2434 1 16 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.154 -6.556 25775
2435 1 16 . 1 1 15 15 CYS CB C 15 40.960 40.960 26.079 14.881 25775
2436 1 16 . 1 1 15 15 CYS H H 15 8.058 8.058 7.638 0.420 25775
2437 1 16 . 1 1 16 16 CYS N N 16 120.718 120.718 123.268 -2.550 25775
2438 1 16 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.447 0.133 25775
2439 1 16 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.786 -5.170 25775
2440 1 16 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.770 11.615 25775
2441 1 16 . 1 1 16 16 CYS H H 16 9.093 9.093 8.784 0.309 25775
2442 1 16 . 1 1 17 17 LYS N N 17 117.710 117.710 121.424 -3.714 25775
2443 1 16 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.102 -0.163 25775
2444 1 16 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.737 3.341 25775
2445 1 16 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.593 0.886 25775
2446 1 16 . 1 1 17 17 LYS H H 17 7.907 7.907 8.061 -0.154 25775
2447 1 16 . 1 1 18 18 HIS N N 18 112.192 112.192 111.254 0.938 25775
2448 1 16 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.187 0.013 25775
2449 1 16 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.436 1.412 25775
2450 1 16 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.463 -0.562 25775
2451 1 16 . 1 1 18 18 HIS H H 18 8.578 8.578 7.948 0.630 25775
2452 1 16 . 1 1 19 19 LEU N N 19 118.755 118.755 117.045 1.710 25775
2453 1 16 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.849 0.207 25775
2454 1 16 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.877 1.162 25775
2455 1 16 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.554 -0.188 25775
2456 1 16 . 1 1 19 19 LEU H H 19 7.894 7.894 7.390 0.504 25775
2457 1 16 . 1 1 20 20 SER N N 20 113.497 113.497 113.971 -0.474 25775
2458 1 16 . 1 1 20 20 SER HA H 20 4.848 4.848 4.614 0.234 25775
2459 1 16 . 1 1 20 20 SER CA C 20 56.143 56.143 56.688 -0.545 25775
2460 1 16 . 1 1 20 20 SER CB C 20 65.870 65.870 64.712 1.158 25775
2461 1 16 . 1 1 20 20 SER H H 20 9.339 9.339 8.399 0.940 25775
2462 1 16 . 1 1 21 21 CYS N N 21 123.504 123.504 125.408 -1.904 25775
2463 1 16 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.224 0.414 25775
2464 1 16 . 1 1 21 21 CYS CA C 21 53.379 53.379 59.076 -5.697 25775
2465 1 16 . 1 1 21 21 CYS CB C 21 41.159 41.159 25.869 15.290 25775
2466 1 16 . 1 1 21 21 CYS H H 21 8.700 8.700 8.944 -0.244 25775
2467 1 16 . 1 1 22 22 ARG N N 22 131.352 131.352 128.551 2.801 25775
2468 1 16 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.470 -0.286 25775
2469 1 16 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.525 0.554 25775
2470 1 16 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.009 -0.633 25775
2471 1 16 . 1 1 22 22 ARG H H 22 8.425 8.425 8.240 0.185 25775
2472 1 16 . 1 1 23 23 SER N N 23 116.579 116.579 116.777 -0.198 25775
2473 1 16 . 1 1 23 23 SER HA H 23 4.259 4.259 4.297 -0.038 25775
2474 1 16 . 1 1 23 23 SER CA C 23 60.879 60.879 60.019 0.860 25775
2475 1 16 . 1 1 23 23 SER CB C 23 63.926 63.926 63.226 0.700 25775
2476 1 16 . 1 1 23 23 SER H H 23 8.191 8.191 8.775 -0.584 25775
2477 1 16 . 1 1 24 24 ASP N N 24 118.399 118.399 121.310 -2.911 25775
2478 1 16 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.679 -0.088 25775
2479 1 16 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.998 -1.311 25775
2480 1 16 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.902 -1.364 25775
2481 1 16 . 1 1 24 24 ASP H H 24 7.746 7.746 8.701 -0.955 25775
2482 1 16 . 1 1 25 25 TRP N N 25 120.253 120.253 118.609 1.644 25775
2483 1 16 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.668 0.003 25775
2484 1 16 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.529 -2.871 25775
2485 1 16 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.250 0.794 25775
2486 1 16 . 1 1 25 25 TRP H H 25 7.962 7.962 8.045 -0.083 25775
2487 1 16 . 1 1 26 26 LYS N N 26 114.205 114.205 116.122 -1.917 25775
2488 1 16 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.139 -0.229 25775
2489 1 16 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.247 -0.600 25775
2490 1 16 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.367 -1.382 25775
2491 1 16 . 1 1 26 26 LYS H H 26 8.161 8.161 8.354 -0.193 25775
2492 1 16 . 1 1 27 27 TYR N N 27 111.730 111.730 113.748 -2.018 25775
2493 1 16 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.037 0.485 25775
2494 1 16 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.763 0.091 25775
2495 1 16 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.690 0.580 25775
2496 1 16 . 1 1 27 27 TYR H H 27 6.879 6.879 7.938 -1.059 25775
2497 1 16 . 1 1 28 28 CYS N N 28 119.698 119.698 121.234 -1.536 25775
2498 1 16 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.294 0.569 25775
2499 1 16 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.320 -4.583 25775
2500 1 16 . 1 1 28 28 CYS CB C 28 41.013 41.013 27.074 13.939 25775
2501 1 16 . 1 1 28 28 CYS H H 28 8.916 8.916 8.489 0.427 25775
2502 1 16 . 1 1 29 29 ALA N N 29 128.521 128.521 124.775 3.746 25775
2503 1 16 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.402 0.242 25775
2504 1 16 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.709 -0.191 25775
2505 1 16 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.782 1.266 25775
2506 1 16 . 1 1 29 29 ALA H H 29 9.484 9.484 8.010 1.474 25775
2507 1 16 . 1 1 30 30 TRP N N 30 120.346 120.346 122.848 -2.502 25775
2508 1 16 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.521 0.225 25775
2509 1 16 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.188 -0.190 25775
2510 1 16 . 1 1 30 30 TRP H H 30 7.950 7.950 8.447 -0.497 25775
2511 1 16 . 1 1 31 31 ASP N N 31 123.675 123.675 117.116 6.559 25775
2512 1 16 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.240 0.402 25775
2513 1 16 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.595 0.547 25775
2514 1 16 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.433 0.515 25775
2515 1 16 . 1 1 31 31 ASP H H 31 8.669 8.669 9.202 -0.533 25775
2516 1 16 . 1 1 32 32 GLY N N 32 109.050 109.050 106.901 2.149 25775
2517 1 16 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.830 0.716 25775
2518 1 16 . 1 1 32 32 GLY H H 32 7.944 7.944 7.823 0.121 25775
2519 1 16 . 1 1 33 33 THR N N 33 112.503 112.503 110.552 1.951 25775
2520 1 16 . 1 1 33 33 THR HA H 33 4.316 4.316 4.062 0.254 25775
2521 1 16 . 1 1 33 33 THR CA C 33 62.025 62.025 62.292 -0.267 25775
2522 1 16 . 1 1 33 33 THR CB C 33 69.946 69.946 69.462 0.484 25775
2523 1 16 . 1 1 33 33 THR H H 33 7.944 7.944 7.959 -0.015 25775
2524 1 16 . 1 1 34 34 PHE N N 34 121.576 121.576 122.816 -1.240 25775
2525 1 16 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.825 -0.201 25775
2526 1 16 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.378 0.017 25775
2527 1 16 . 1 1 34 34 PHE CB C 34 40.002 40.002 38.813 1.189 25775
2528 1 16 . 1 1 34 34 PHE H H 34 8.067 8.067 8.587 -0.520 25775
2529 1 17 . 1 1 2 2 CYS N N 2 120.899 120.899 118.447 2.452 25775
2530 1 17 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.534 -0.876 25775
2531 1 17 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.104 -2.179 25775
2532 1 17 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.748 11.987 25775
2533 1 17 . 1 1 2 2 CYS H H 2 8.654 8.654 8.305 0.349 25775
2534 1 17 . 1 1 3 3 ARG N N 3 120.390 120.390 120.170 0.220 25775
2535 1 17 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.624 -0.195 25775
2536 1 17 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.339 0.857 25775
2537 1 17 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.194 -1.594 25775
2538 1 17 . 1 1 3 3 ARG H H 3 8.889 8.889 8.677 0.212 25775
2539 1 17 . 1 1 4 4 TYR N N 4 122.181 122.181 117.226 4.955 25775
2540 1 17 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.560 -0.310 25775
2541 1 17 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.234 -0.235 25775
2542 1 17 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.633 0.393 25775
2543 1 17 . 1 1 4 4 TYR H H 4 8.224 8.224 7.439 0.785 25775
2544 1 17 . 1 1 5 5 LEU N N 5 121.370 121.370 120.672 0.698 25775
2545 1 17 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.741 -0.374 25775
2546 1 17 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.338 -0.673 25775
2547 1 17 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.805 0.448 25775
2548 1 17 . 1 1 5 5 LEU H H 5 6.651 6.651 8.389 -1.738 25775
2549 1 17 . 1 1 6 6 PHE N N 6 117.688 117.688 113.744 3.944 25775
2550 1 17 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.627 -0.859 25775
2551 1 17 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.023 1.256 25775
2552 1 17 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.733 -2.662 25775
2553 1 17 . 1 1 6 6 PHE H H 6 8.869 8.869 8.290 0.579 25775
2554 1 17 . 1 1 7 7 GLY N N 7 110.878 110.878 107.568 3.310 25775
2555 1 17 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.544 -0.164 25775
2556 1 17 . 1 1 7 7 GLY H H 7 9.113 9.113 7.721 1.392 25775
2557 1 17 . 1 1 8 8 GLY N N 8 111.369 111.369 107.926 3.443 25775
2558 1 17 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.513 1.562 25775
2559 1 17 . 1 1 8 8 GLY H H 8 8.729 8.729 7.814 0.915 25775
2560 1 17 . 1 1 9 9 CYS N N 9 115.842 115.842 119.429 -3.587 25775
2561 1 17 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.159 -0.211 25775
2562 1 17 . 1 1 9 9 CYS CA C 9 53.667 53.667 55.964 -2.297 25775
2563 1 17 . 1 1 9 9 CYS CB C 9 47.288 47.288 31.660 15.627 25775
2564 1 17 . 1 1 9 9 CYS H H 9 7.894 7.894 7.784 0.110 25775
2565 1 17 . 1 1 10 10 SER N N 10 113.651 113.651 114.437 -0.786 25775
2566 1 17 . 1 1 10 10 SER HA H 10 4.591 4.591 4.583 0.008 25775
2567 1 17 . 1 1 10 10 SER CA C 10 58.794 58.794 59.039 -0.245 25775
2568 1 17 . 1 1 10 10 SER CB C 10 64.468 64.468 64.722 -0.254 25775
2569 1 17 . 1 1 10 10 SER H H 10 8.986 8.986 8.621 0.365 25775
2570 1 17 . 1 1 11 11 SER N N 11 115.967 115.967 116.619 -0.652 25775
2571 1 17 . 1 1 11 11 SER HA H 11 4.668 4.668 4.758 -0.090 25775
2572 1 17 . 1 1 11 11 SER CA C 11 56.868 56.868 56.433 0.435 25775
2573 1 17 . 1 1 11 11 SER CB C 11 65.742 65.742 64.679 1.063 25775
2574 1 17 . 1 1 11 11 SER H H 11 8.009 8.009 7.471 0.538 25775
2575 1 17 . 1 1 12 12 THR N N 12 123.963 123.963 116.304 7.659 25775
2576 1 17 . 1 1 12 12 THR HA H 12 3.808 3.808 4.140 -0.332 25775
2577 1 17 . 1 1 12 12 THR CA C 12 67.368 67.368 64.079 3.289 25775
2578 1 17 . 1 1 12 12 THR CB C 12 69.100 69.100 68.487 0.613 25775
2579 1 17 . 1 1 12 12 THR H H 12 9.412 9.412 8.722 0.690 25775
2580 1 17 . 1 1 13 13 SER N N 13 121.263 121.263 116.149 5.114 25775
2581 1 17 . 1 1 13 13 SER HA H 13 4.012 4.012 4.179 -0.167 25775
2582 1 17 . 1 1 13 13 SER CA C 13 60.968 60.968 60.578 0.390 25775
2583 1 17 . 1 1 13 13 SER CB C 13 62.880 62.880 62.878 0.002 25775
2584 1 17 . 1 1 13 13 SER H H 13 8.728 8.728 7.678 1.050 25775
2585 1 17 . 1 1 14 14 ASP N N 14 118.050 118.050 121.296 -3.246 25775
2586 1 17 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.571 -0.334 25775
2587 1 17 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.589 -1.599 25775
2588 1 17 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.593 -4.177 25775
2589 1 17 . 1 1 14 14 ASP H H 14 8.619 8.619 7.614 1.005 25775
2590 1 17 . 1 1 15 15 CYS N N 15 117.779 117.779 119.083 -1.304 25775
2591 1 17 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.354 0.767 25775
2592 1 17 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.197 -6.599 25775
2593 1 17 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.906 15.054 25775
2594 1 17 . 1 1 15 15 CYS H H 15 8.058 8.058 7.644 0.414 25775
2595 1 17 . 1 1 16 16 CYS N N 16 120.718 120.718 123.491 -2.773 25775
2596 1 17 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.429 0.151 25775
2597 1 17 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.830 -5.214 25775
2598 1 17 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.840 11.545 25775
2599 1 17 . 1 1 16 16 CYS H H 16 9.093 9.093 8.853 0.240 25775
2600 1 17 . 1 1 17 17 LYS N N 17 117.710 117.710 121.576 -3.866 25775
2601 1 17 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.455 -0.516 25775
2602 1 17 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.893 3.185 25775
2603 1 17 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.862 0.617 25775
2604 1 17 . 1 1 17 17 LYS H H 17 7.907 7.907 8.215 -0.308 25775
2605 1 17 . 1 1 18 18 HIS N N 18 112.192 112.192 111.760 0.432 25775
2606 1 17 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.249 -0.049 25775
2607 1 17 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.297 1.551 25775
2608 1 17 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.487 -0.586 25775
2609 1 17 . 1 1 18 18 HIS H H 18 8.578 8.578 8.026 0.552 25775
2610 1 17 . 1 1 19 19 LEU N N 19 118.755 118.755 117.338 1.417 25775
2611 1 17 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.914 0.142 25775
2612 1 17 . 1 1 19 19 LEU CA C 19 54.039 54.039 53.210 0.829 25775
2613 1 17 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.530 -0.164 25775
2614 1 17 . 1 1 19 19 LEU H H 19 7.894 7.894 7.538 0.356 25775
2615 1 17 . 1 1 20 20 SER N N 20 113.497 113.497 115.464 -1.967 25775
2616 1 17 . 1 1 20 20 SER HA H 20 4.848 4.848 4.556 0.292 25775
2617 1 17 . 1 1 20 20 SER CA C 20 56.143 56.143 57.345 -1.202 25775
2618 1 17 . 1 1 20 20 SER CB C 20 65.870 65.870 64.994 0.876 25775
2619 1 17 . 1 1 20 20 SER H H 20 9.339 9.339 8.486 0.853 25775
2620 1 17 . 1 1 21 21 CYS N N 21 123.504 123.504 125.609 -2.105 25775
2621 1 17 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.359 0.279 25775
2622 1 17 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.868 -5.489 25775
2623 1 17 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.176 14.983 25775
2624 1 17 . 1 1 21 21 CYS H H 21 8.700 8.700 8.934 -0.234 25775
2625 1 17 . 1 1 22 22 ARG N N 22 131.352 131.352 128.210 3.142 25775
2626 1 17 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.506 -0.322 25775
2627 1 17 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.664 0.415 25775
2628 1 17 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.456 -1.081 25775
2629 1 17 . 1 1 22 22 ARG H H 22 8.425 8.425 7.884 0.541 25775
2630 1 17 . 1 1 23 23 SER N N 23 116.579 116.579 116.413 0.166 25775
2631 1 17 . 1 1 23 23 SER HA H 23 4.259 4.259 4.258 0.001 25775
2632 1 17 . 1 1 23 23 SER CA C 23 60.879 60.879 60.306 0.573 25775
2633 1 17 . 1 1 23 23 SER CB C 23 63.926 63.926 63.205 0.721 25775
2634 1 17 . 1 1 23 23 SER H H 23 8.191 8.191 8.820 -0.629 25775
2635 1 17 . 1 1 24 24 ASP N N 24 118.399 118.399 120.990 -2.591 25775
2636 1 17 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.634 -0.043 25775
2637 1 17 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.721 -1.034 25775
2638 1 17 . 1 1 24 24 ASP CB C 24 39.538 39.538 41.130 -1.593 25775
2639 1 17 . 1 1 24 24 ASP H H 24 7.746 7.746 8.592 -0.846 25775
2640 1 17 . 1 1 25 25 TRP N N 25 120.253 120.253 118.434 1.819 25775
2641 1 17 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.718 -0.047 25775
2642 1 17 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.303 -2.645 25775
2643 1 17 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.373 0.670 25775
2644 1 17 . 1 1 25 25 TRP H H 25 7.962 7.962 8.046 -0.084 25775
2645 1 17 . 1 1 26 26 LYS N N 26 114.205 114.205 116.302 -2.097 25775
2646 1 17 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.145 -0.235 25775
2647 1 17 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.292 -0.645 25775
2648 1 17 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.391 -1.406 25775
2649 1 17 . 1 1 26 26 LYS H H 26 8.161 8.161 8.374 -0.213 25775
2650 1 17 . 1 1 27 27 TYR N N 27 111.730 111.730 113.806 -2.076 25775
2651 1 17 . 1 1 27 27 TYR HA H 27 5.522 5.522 4.993 0.529 25775
2652 1 17 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.684 0.170 25775
2653 1 17 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.649 0.621 25775
2654 1 17 . 1 1 27 27 TYR H H 27 6.879 6.879 7.876 -0.997 25775
2655 1 17 . 1 1 28 28 CYS N N 28 119.698 119.698 122.073 -2.375 25775
2656 1 17 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.273 0.590 25775
2657 1 17 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.446 -4.709 25775
2658 1 17 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.779 14.234 25775
2659 1 17 . 1 1 28 28 CYS H H 28 8.916 8.916 8.537 0.379 25775
2660 1 17 . 1 1 29 29 ALA N N 29 128.521 128.521 125.581 2.940 25775
2661 1 17 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.409 0.235 25775
2662 1 17 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.521 -0.003 25775
2663 1 17 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.738 1.310 25775
2664 1 17 . 1 1 29 29 ALA H H 29 9.484 9.484 8.065 1.419 25775
2665 1 17 . 1 1 30 30 TRP N N 30 120.346 120.346 122.942 -2.596 25775
2666 1 17 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.537 0.209 25775
2667 1 17 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.190 -0.192 25775
2668 1 17 . 1 1 30 30 TRP H H 30 7.950 7.950 8.462 -0.512 25775
2669 1 17 . 1 1 31 31 ASP N N 31 123.675 123.675 117.001 6.674 25775
2670 1 17 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.264 0.378 25775
2671 1 17 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.616 0.526 25775
2672 1 17 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.398 0.551 25775
2673 1 17 . 1 1 31 31 ASP H H 31 8.669 8.669 9.245 -0.576 25775
2674 1 17 . 1 1 32 32 GLY N N 32 109.050 109.050 107.182 1.868 25775
2675 1 17 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.993 0.553 25775
2676 1 17 . 1 1 32 32 GLY H H 32 7.944 7.944 7.906 0.038 25775
2677 1 17 . 1 1 33 33 THR N N 33 112.503 112.503 115.948 -3.445 25775
2678 1 17 . 1 1 33 33 THR HA H 33 4.316 4.316 4.148 0.168 25775
2679 1 17 . 1 1 33 33 THR CA C 33 62.025 62.025 63.419 -1.394 25775
2680 1 17 . 1 1 33 33 THR CB C 33 69.946 69.946 69.194 0.752 25775
2681 1 17 . 1 1 33 33 THR H H 33 7.944 7.944 7.944 -0.000 25775
2682 1 17 . 1 1 34 34 PHE N N 34 121.576 121.576 120.175 1.401 25775
2683 1 17 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.760 -0.136 25775
2684 1 17 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.746 -0.351 25775
2685 1 17 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.943 -0.941 25775
2686 1 17 . 1 1 34 34 PHE H H 34 8.067 8.067 8.404 -0.337 25775
2687 1 18 . 1 1 2 2 CYS N N 2 120.899 120.899 122.399 -1.500 25775
2688 1 18 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.124 -0.466 25775
2689 1 18 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.555 -2.630 25775
2690 1 18 . 1 1 2 2 CYS CB C 2 41.735 41.735 28.147 13.588 25775
2691 1 18 . 1 1 2 2 CYS H H 2 8.654 8.654 8.613 0.041 25775
2692 1 18 . 1 1 3 3 ARG N N 3 120.390 120.390 119.833 0.557 25775
2693 1 18 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.577 -0.148 25775
2694 1 18 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.479 0.717 25775
2695 1 18 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.081 -1.481 25775
2696 1 18 . 1 1 3 3 ARG H H 3 8.889 8.889 8.646 0.243 25775
2697 1 18 . 1 1 4 4 TYR N N 4 122.181 122.181 117.193 4.988 25775
2698 1 18 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.501 -0.251 25775
2699 1 18 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.229 -0.230 25775
2700 1 18 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.508 0.518 25775
2701 1 18 . 1 1 4 4 TYR H H 4 8.224 8.224 7.420 0.804 25775
2702 1 18 . 1 1 5 5 LEU N N 5 121.370 121.370 120.602 0.768 25775
2703 1 18 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.732 -0.365 25775
2704 1 18 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.227 -0.562 25775
2705 1 18 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.645 0.607 25775
2706 1 18 . 1 1 5 5 LEU H H 5 6.651 6.651 8.226 -1.575 25775
2707 1 18 . 1 1 6 6 PHE N N 6 117.688 117.688 113.088 4.600 25775
2708 1 18 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.724 -0.956 25775
2709 1 18 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.182 2.097 25775
2710 1 18 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.304 -2.233 25775
2711 1 18 . 1 1 6 6 PHE H H 6 8.869 8.869 7.873 0.996 25775
2712 1 18 . 1 1 7 7 GLY N N 7 110.878 110.878 107.649 3.229 25775
2713 1 18 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.420 -0.041 25775
2714 1 18 . 1 1 7 7 GLY H H 7 9.113 9.113 7.703 1.410 25775
2715 1 18 . 1 1 8 8 GLY N N 8 111.369 111.369 107.388 3.981 25775
2716 1 18 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.507 1.568 25775
2717 1 18 . 1 1 8 8 GLY H H 8 8.729 8.729 7.716 1.013 25775
2718 1 18 . 1 1 9 9 CYS N N 9 115.842 115.842 118.583 -2.741 25775
2719 1 18 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.127 -0.179 25775
2720 1 18 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.533 -2.866 25775
2721 1 18 . 1 1 9 9 CYS CB C 9 47.288 47.288 31.324 15.964 25775
2722 1 18 . 1 1 9 9 CYS H H 9 7.894 7.894 7.982 -0.088 25775
2723 1 18 . 1 1 10 10 SER N N 10 113.651 113.651 115.927 -2.276 25775
2724 1 18 . 1 1 10 10 SER HA H 10 4.591 4.591 4.596 -0.005 25775
2725 1 18 . 1 1 10 10 SER CA C 10 58.794 58.794 59.026 -0.232 25775
2726 1 18 . 1 1 10 10 SER CB C 10 64.468 64.468 64.856 -0.388 25775
2727 1 18 . 1 1 10 10 SER H H 10 8.986 8.986 8.541 0.445 25775
2728 1 18 . 1 1 11 11 SER N N 11 115.967 115.967 115.992 -0.025 25775
2729 1 18 . 1 1 11 11 SER HA H 11 4.668 4.668 4.793 -0.125 25775
2730 1 18 . 1 1 11 11 SER CA C 11 56.868 56.868 56.437 0.431 25775
2731 1 18 . 1 1 11 11 SER CB C 11 65.742 65.742 64.514 1.228 25775
2732 1 18 . 1 1 11 11 SER H H 11 8.009 8.009 7.641 0.368 25775
2733 1 18 . 1 1 12 12 THR N N 12 123.963 123.963 115.430 8.533 25775
2734 1 18 . 1 1 12 12 THR HA H 12 3.808 3.808 4.155 -0.347 25775
2735 1 18 . 1 1 12 12 THR CA C 12 67.368 67.368 63.843 3.525 25775
2736 1 18 . 1 1 12 12 THR CB C 12 69.100 69.100 68.727 0.373 25775
2737 1 18 . 1 1 12 12 THR H H 12 9.412 9.412 8.703 0.709 25775
2738 1 18 . 1 1 13 13 SER N N 13 121.263 121.263 116.163 5.100 25775
2739 1 18 . 1 1 13 13 SER HA H 13 4.012 4.012 4.152 -0.140 25775
2740 1 18 . 1 1 13 13 SER CA C 13 60.968 60.968 60.558 0.410 25775
2741 1 18 . 1 1 13 13 SER CB C 13 62.880 62.880 62.825 0.055 25775
2742 1 18 . 1 1 13 13 SER H H 13 8.728 8.728 7.695 1.033 25775
2743 1 18 . 1 1 14 14 ASP N N 14 118.050 118.050 121.483 -3.433 25775
2744 1 18 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.590 -0.353 25775
2745 1 18 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.195 -1.205 25775
2746 1 18 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.535 -4.119 25775
2747 1 18 . 1 1 14 14 ASP H H 14 8.619 8.619 7.701 0.918 25775
2748 1 18 . 1 1 15 15 CYS N N 15 117.779 117.779 119.168 -1.389 25775
2749 1 18 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.318 0.803 25775
2750 1 18 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.194 -6.596 25775
2751 1 18 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.961 14.999 25775
2752 1 18 . 1 1 15 15 CYS H H 15 8.058 8.058 7.628 0.430 25775
2753 1 18 . 1 1 16 16 CYS N N 16 120.718 120.718 123.438 -2.720 25775
2754 1 18 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.491 0.089 25775
2755 1 18 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.678 -5.062 25775
2756 1 18 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.924 11.460 25775
2757 1 18 . 1 1 16 16 CYS H H 16 9.093 9.093 8.774 0.319 25775
2758 1 18 . 1 1 17 17 LYS N N 17 117.710 117.710 121.229 -3.519 25775
2759 1 18 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.487 -0.548 25775
2760 1 18 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.262 2.816 25775
2761 1 18 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.540 0.939 25775
2762 1 18 . 1 1 17 17 LYS H H 17 7.907 7.907 8.204 -0.297 25775
2763 1 18 . 1 1 18 18 HIS N N 18 112.192 112.192 114.276 -2.084 25775
2764 1 18 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.223 -0.023 25775
2765 1 18 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.355 1.493 25775
2766 1 18 . 1 1 18 18 HIS CB C 18 26.901 26.901 29.495 -2.594 25775
2767 1 18 . 1 1 18 18 HIS H H 18 8.578 8.578 8.317 0.261 25775
2768 1 18 . 1 1 19 19 LEU N N 19 118.755 118.755 116.163 2.592 25775
2769 1 18 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.792 0.264 25775
2770 1 18 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.837 1.202 25775
2771 1 18 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.635 -0.268 25775
2772 1 18 . 1 1 19 19 LEU H H 19 7.894 7.894 7.448 0.446 25775
2773 1 18 . 1 1 20 20 SER N N 20 113.497 113.497 114.955 -1.458 25775
2774 1 18 . 1 1 20 20 SER HA H 20 4.848 4.848 4.550 0.298 25775
2775 1 18 . 1 1 20 20 SER CA C 20 56.143 56.143 56.819 -0.676 25775
2776 1 18 . 1 1 20 20 SER CB C 20 65.870 65.870 64.656 1.214 25775
2777 1 18 . 1 1 20 20 SER H H 20 9.339 9.339 8.534 0.805 25775
2778 1 18 . 1 1 21 21 CYS N N 21 123.504 123.504 126.202 -2.698 25775
2779 1 18 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.313 0.325 25775
2780 1 18 . 1 1 21 21 CYS CA C 21 53.379 53.379 59.078 -5.699 25775
2781 1 18 . 1 1 21 21 CYS CB C 21 41.159 41.159 25.269 15.890 25775
2782 1 18 . 1 1 21 21 CYS H H 21 8.700 8.700 8.970 -0.270 25775
2783 1 18 . 1 1 22 22 ARG N N 22 131.352 131.352 128.456 2.896 25775
2784 1 18 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.516 -0.332 25775
2785 1 18 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.725 0.354 25775
2786 1 18 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.224 -0.849 25775
2787 1 18 . 1 1 22 22 ARG H H 22 8.425 8.425 7.839 0.586 25775
2788 1 18 . 1 1 23 23 SER N N 23 116.579 116.579 117.793 -1.214 25775
2789 1 18 . 1 1 23 23 SER HA H 23 4.259 4.259 4.243 0.016 25775
2790 1 18 . 1 1 23 23 SER CA C 23 60.879 60.879 60.750 0.129 25775
2791 1 18 . 1 1 23 23 SER CB C 23 63.926 63.926 63.288 0.638 25775
2792 1 18 . 1 1 23 23 SER H H 23 8.191 8.191 8.885 -0.694 25775
2793 1 18 . 1 1 24 24 ASP N N 24 118.399 118.399 120.874 -2.475 25775
2794 1 18 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.567 0.024 25775
2795 1 18 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.695 -1.008 25775
2796 1 18 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.818 -1.280 25775
2797 1 18 . 1 1 24 24 ASP H H 24 7.746 7.746 8.358 -0.612 25775
2798 1 18 . 1 1 25 25 TRP N N 25 120.253 120.253 118.268 1.985 25775
2799 1 18 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.699 -0.028 25775
2800 1 18 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.428 -2.769 25775
2801 1 18 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.301 0.743 25775
2802 1 18 . 1 1 25 25 TRP H H 25 7.962 7.962 8.136 -0.174 25775
2803 1 18 . 1 1 26 26 LYS N N 26 114.205 114.205 116.046 -1.841 25775
2804 1 18 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.146 -0.236 25775
2805 1 18 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.331 -0.684 25775
2806 1 18 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.378 -1.393 25775
2807 1 18 . 1 1 26 26 LYS H H 26 8.161 8.161 8.366 -0.205 25775
2808 1 18 . 1 1 27 27 TYR N N 27 111.730 111.730 113.934 -2.204 25775
2809 1 18 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.057 0.465 25775
2810 1 18 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.687 0.167 25775
2811 1 18 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.755 0.515 25775
2812 1 18 . 1 1 27 27 TYR H H 27 6.879 6.879 7.971 -1.092 25775
2813 1 18 . 1 1 28 28 CYS N N 28 119.698 119.698 121.153 -1.455 25775
2814 1 18 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.284 0.579 25775
2815 1 18 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.354 -4.617 25775
2816 1 18 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.872 14.141 25775
2817 1 18 . 1 1 28 28 CYS H H 28 8.916 8.916 8.485 0.431 25775
2818 1 18 . 1 1 29 29 ALA N N 29 128.521 128.521 125.245 3.276 25775
2819 1 18 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.398 0.246 25775
2820 1 18 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.665 -0.147 25775
2821 1 18 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.839 1.209 25775
2822 1 18 . 1 1 29 29 ALA H H 29 9.484 9.484 8.039 1.445 25775
2823 1 18 . 1 1 30 30 TRP N N 30 120.346 120.346 122.689 -2.343 25775
2824 1 18 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.545 0.201 25775
2825 1 18 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.271 -0.273 25775
2826 1 18 . 1 1 30 30 TRP H H 30 7.950 7.950 8.429 -0.479 25775
2827 1 18 . 1 1 31 31 ASP N N 31 123.675 123.675 116.976 6.699 25775
2828 1 18 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.252 0.390 25775
2829 1 18 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.630 0.512 25775
2830 1 18 . 1 1 31 31 ASP CB C 31 38.948 38.948 38.547 0.401 25775
2831 1 18 . 1 1 31 31 ASP H H 31 8.669 8.669 9.225 -0.556 25775
2832 1 18 . 1 1 32 32 GLY N N 32 109.050 109.050 107.173 1.877 25775
2833 1 18 . 1 1 32 32 GLY CA C 32 45.546 45.546 44.665 0.881 25775
2834 1 18 . 1 1 32 32 GLY H H 32 7.944 7.944 7.829 0.115 25775
2835 1 18 . 1 1 33 33 THR N N 33 112.503 112.503 113.992 -1.489 25775
2836 1 18 . 1 1 33 33 THR HA H 33 4.316 4.316 4.074 0.242 25775
2837 1 18 . 1 1 33 33 THR CA C 33 62.025 62.025 63.695 -1.670 25775
2838 1 18 . 1 1 33 33 THR CB C 33 69.946 69.946 69.257 0.689 25775
2839 1 18 . 1 1 33 33 THR H H 33 7.944 7.944 8.042 -0.098 25775
2840 1 18 . 1 1 34 34 PHE N N 34 121.576 121.576 124.351 -2.775 25775
2841 1 18 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.712 -0.088 25775
2842 1 18 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.785 -0.390 25775
2843 1 18 . 1 1 34 34 PHE CB C 34 40.002 40.002 39.720 0.282 25775
2844 1 18 . 1 1 34 34 PHE H H 34 8.067 8.067 8.649 -0.582 25775
2845 1 19 . 1 1 2 2 CYS N N 2 120.899 120.899 118.545 2.354 25775
2846 1 19 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.387 -0.729 25775
2847 1 19 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.133 -2.208 25775
2848 1 19 . 1 1 2 2 CYS CB C 2 41.735 41.735 28.833 12.902 25775
2849 1 19 . 1 1 2 2 CYS H H 2 8.654 8.654 8.127 0.527 25775
2850 1 19 . 1 1 3 3 ARG N N 3 120.390 120.390 120.393 -0.003 25775
2851 1 19 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.604 -0.175 25775
2852 1 19 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.286 0.910 25775
2853 1 19 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.195 -1.595 25775
2854 1 19 . 1 1 3 3 ARG H H 3 8.889 8.889 8.653 0.236 25775
2855 1 19 . 1 1 4 4 TYR N N 4 122.181 122.181 117.285 4.896 25775
2856 1 19 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.535 -0.285 25775
2857 1 19 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.353 -0.354 25775
2858 1 19 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.542 0.484 25775
2859 1 19 . 1 1 4 4 TYR H H 4 8.224 8.224 7.444 0.780 25775
2860 1 19 . 1 1 5 5 LEU N N 5 121.370 121.370 120.809 0.561 25775
2861 1 19 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.820 -0.453 25775
2862 1 19 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.563 -0.898 25775
2863 1 19 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.118 0.134 25775
2864 1 19 . 1 1 5 5 LEU H H 5 6.651 6.651 8.445 -1.794 25775
2865 1 19 . 1 1 6 6 PHE N N 6 117.688 117.688 114.372 3.316 25775
2866 1 19 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.651 -0.883 25775
2867 1 19 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.130 1.149 25775
2868 1 19 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.882 -2.811 25775
2869 1 19 . 1 1 6 6 PHE H H 6 8.869 8.869 8.550 0.319 25775
2870 1 19 . 1 1 7 7 GLY N N 7 110.878 110.878 107.517 3.361 25775
2871 1 19 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.416 -0.036 25775
2872 1 19 . 1 1 7 7 GLY H H 7 9.113 9.113 7.718 1.395 25775
2873 1 19 . 1 1 8 8 GLY N N 8 111.369 111.369 107.359 4.010 25775
2874 1 19 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.465 1.609 25775
2875 1 19 . 1 1 8 8 GLY H H 8 8.729 8.729 7.668 1.061 25775
2876 1 19 . 1 1 9 9 CYS N N 9 115.842 115.842 118.347 -2.505 25775
2877 1 19 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.081 -0.133 25775
2878 1 19 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.628 -2.961 25775
2879 1 19 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.097 17.191 25775
2880 1 19 . 1 1 9 9 CYS H H 9 7.894 7.894 7.919 -0.025 25775
2881 1 19 . 1 1 10 10 SER N N 10 113.651 113.651 114.433 -0.782 25775
2882 1 19 . 1 1 10 10 SER HA H 10 4.591 4.591 4.479 0.112 25775
2883 1 19 . 1 1 10 10 SER CA C 10 58.794 58.794 59.791 -0.997 25775
2884 1 19 . 1 1 10 10 SER CB C 10 64.468 64.468 63.984 0.484 25775
2885 1 19 . 1 1 10 10 SER H H 10 8.986 8.986 8.433 0.553 25775
2886 1 19 . 1 1 11 11 SER N N 11 115.967 115.967 115.905 0.062 25775
2887 1 19 . 1 1 11 11 SER HA H 11 4.668 4.668 4.731 -0.063 25775
2888 1 19 . 1 1 11 11 SER CA C 11 56.868 56.868 56.784 0.084 25775
2889 1 19 . 1 1 11 11 SER CB C 11 65.742 65.742 66.239 -0.497 25775
2890 1 19 . 1 1 11 11 SER H H 11 8.009 8.009 7.800 0.209 25775
2891 1 19 . 1 1 12 12 THR N N 12 123.963 123.963 115.009 8.954 25775
2892 1 19 . 1 1 12 12 THR HA H 12 3.808 3.808 4.102 -0.294 25775
2893 1 19 . 1 1 12 12 THR CA C 12 67.368 67.368 64.576 2.792 25775
2894 1 19 . 1 1 12 12 THR CB C 12 69.100 69.100 68.463 0.637 25775
2895 1 19 . 1 1 12 12 THR H H 12 9.412 9.412 8.682 0.730 25775
2896 1 19 . 1 1 13 13 SER N N 13 121.263 121.263 117.570 3.693 25775
2897 1 19 . 1 1 13 13 SER HA H 13 4.012 4.012 4.236 -0.224 25775
2898 1 19 . 1 1 13 13 SER CA C 13 60.968 60.968 60.926 0.042 25775
2899 1 19 . 1 1 13 13 SER CB C 13 62.880 62.880 62.672 0.208 25775
2900 1 19 . 1 1 13 13 SER H H 13 8.728 8.728 8.264 0.464 25775
2901 1 19 . 1 1 14 14 ASP N N 14 118.050 118.050 121.313 -3.263 25775
2902 1 19 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.545 -0.308 25775
2903 1 19 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.672 -1.682 25775
2904 1 19 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.519 -4.103 25775
2905 1 19 . 1 1 14 14 ASP H H 14 8.619 8.619 7.635 0.984 25775
2906 1 19 . 1 1 15 15 CYS N N 15 117.779 117.779 118.473 -0.694 25775
2907 1 19 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.357 0.764 25775
2908 1 19 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.290 -6.692 25775
2909 1 19 . 1 1 15 15 CYS CB C 15 40.960 40.960 26.034 14.926 25775
2910 1 19 . 1 1 15 15 CYS H H 15 8.058 8.058 7.525 0.533 25775
2911 1 19 . 1 1 16 16 CYS N N 16 120.718 120.718 123.217 -2.499 25775
2912 1 19 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.427 0.153 25775
2913 1 19 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.754 -5.138 25775
2914 1 19 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.755 11.630 25775
2915 1 19 . 1 1 16 16 CYS H H 16 9.093 9.093 8.783 0.310 25775
2916 1 19 . 1 1 17 17 LYS N N 17 117.710 117.710 121.445 -3.735 25775
2917 1 19 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.147 -0.208 25775
2918 1 19 . 1 1 17 17 LYS CA C 17 58.078 58.078 54.768 3.310 25775
2919 1 19 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.661 0.818 25775
2920 1 19 . 1 1 17 17 LYS H H 17 7.907 7.907 8.053 -0.146 25775
2921 1 19 . 1 1 18 18 HIS N N 18 112.192 112.192 111.217 0.975 25775
2922 1 19 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.193 0.007 25775
2923 1 19 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.534 1.314 25775
2924 1 19 . 1 1 18 18 HIS CB C 18 26.901 26.901 27.369 -0.468 25775
2925 1 19 . 1 1 18 18 HIS H H 18 8.578 8.578 7.897 0.681 25775
2926 1 19 . 1 1 19 19 LEU N N 19 118.755 118.755 117.361 1.394 25775
2927 1 19 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.808 0.248 25775
2928 1 19 . 1 1 19 19 LEU CA C 19 54.039 54.039 53.325 0.715 25775
2929 1 19 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.332 0.034 25775
2930 1 19 . 1 1 19 19 LEU H H 19 7.894 7.894 7.451 0.443 25775
2931 1 19 . 1 1 20 20 SER N N 20 113.497 113.497 115.210 -1.713 25775
2932 1 19 . 1 1 20 20 SER HA H 20 4.848 4.848 4.565 0.283 25775
2933 1 19 . 1 1 20 20 SER CA C 20 56.143 56.143 56.836 -0.693 25775
2934 1 19 . 1 1 20 20 SER CB C 20 65.870 65.870 64.607 1.263 25775
2935 1 19 . 1 1 20 20 SER H H 20 9.339 9.339 8.446 0.893 25775
2936 1 19 . 1 1 21 21 CYS N N 21 123.504 123.504 125.468 -1.964 25775
2937 1 19 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.184 0.454 25775
2938 1 19 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.860 -5.481 25775
2939 1 19 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.076 15.083 25775
2940 1 19 . 1 1 21 21 CYS H H 21 8.700 8.700 8.861 -0.161 25775
2941 1 19 . 1 1 22 22 ARG N N 22 131.352 131.352 128.277 3.075 25775
2942 1 19 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.409 -0.225 25775
2943 1 19 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.831 0.248 25775
2944 1 19 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.102 -0.727 25775
2945 1 19 . 1 1 22 22 ARG H H 22 8.425 8.425 8.182 0.243 25775
2946 1 19 . 1 1 23 23 SER N N 23 116.579 116.579 117.074 -0.495 25775
2947 1 19 . 1 1 23 23 SER HA H 23 4.259 4.259 4.334 -0.075 25775
2948 1 19 . 1 1 23 23 SER CA C 23 60.879 60.879 60.056 0.824 25775
2949 1 19 . 1 1 23 23 SER CB C 23 63.926 63.926 63.048 0.878 25775
2950 1 19 . 1 1 23 23 SER H H 23 8.191 8.191 8.655 -0.464 25775
2951 1 19 . 1 1 24 24 ASP N N 24 118.399 118.399 121.867 -3.468 25775
2952 1 19 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.570 0.021 25775
2953 1 19 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.147 -0.460 25775
2954 1 19 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.583 -1.045 25775
2955 1 19 . 1 1 24 24 ASP H H 24 7.746 7.746 8.401 -0.655 25775
2956 1 19 . 1 1 25 25 TRP N N 25 120.253 120.253 119.191 1.062 25775
2957 1 19 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.687 -0.016 25775
2958 1 19 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.496 -2.838 25775
2959 1 19 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.099 0.945 25775
2960 1 19 . 1 1 25 25 TRP H H 25 7.962 7.962 8.131 -0.169 25775
2961 1 19 . 1 1 26 26 LYS N N 26 114.205 114.205 116.222 -2.017 25775
2962 1 19 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.126 -0.216 25775
2963 1 19 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.272 -0.625 25775
2964 1 19 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.309 -1.324 25775
2965 1 19 . 1 1 26 26 LYS H H 26 8.161 8.161 8.367 -0.206 25775
2966 1 19 . 1 1 27 27 TYR N N 27 111.730 111.730 113.848 -2.118 25775
2967 1 19 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.013 0.509 25775
2968 1 19 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.797 0.057 25775
2969 1 19 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.686 0.584 25775
2970 1 19 . 1 1 27 27 TYR H H 27 6.879 6.879 7.924 -1.045 25775
2971 1 19 . 1 1 28 28 CYS N N 28 119.698 119.698 121.128 -1.430 25775
2972 1 19 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.290 0.573 25775
2973 1 19 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.309 -4.572 25775
2974 1 19 . 1 1 28 28 CYS CB C 28 41.013 41.013 27.078 13.935 25775
2975 1 19 . 1 1 28 28 CYS H H 28 8.916 8.916 8.490 0.426 25775
2976 1 19 . 1 1 29 29 ALA N N 29 128.521 128.521 124.994 3.527 25775
2977 1 19 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.463 0.181 25775
2978 1 19 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.703 -0.185 25775
2979 1 19 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.697 1.351 25775
2980 1 19 . 1 1 29 29 ALA H H 29 9.484 9.484 7.989 1.495 25775
2981 1 19 . 1 1 30 30 TRP N N 30 120.346 120.346 123.228 -2.882 25775
2982 1 19 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.521 0.225 25775
2983 1 19 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.283 -0.285 25775
2984 1 19 . 1 1 30 30 TRP H H 30 7.950 7.950 8.448 -0.498 25775
2985 1 19 . 1 1 31 31 ASP N N 31 123.675 123.675 119.170 4.505 25775
2986 1 19 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.303 0.339 25775
2987 1 19 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.682 0.460 25775
2988 1 19 . 1 1 31 31 ASP CB C 31 38.948 38.948 40.095 -1.147 25775
2989 1 19 . 1 1 31 31 ASP H H 31 8.669 8.669 9.219 -0.550 25775
2990 1 19 . 1 1 32 32 GLY N N 32 109.050 109.050 104.991 4.059 25775
2991 1 19 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.048 0.498 25775
2992 1 19 . 1 1 32 32 GLY H H 32 7.944 7.944 7.936 0.008 25775
2993 1 19 . 1 1 33 33 THR N N 33 112.503 112.503 113.753 -1.250 25775
2994 1 19 . 1 1 33 33 THR HA H 33 4.316 4.316 4.029 0.287 25775
2995 1 19 . 1 1 33 33 THR CA C 33 62.025 62.025 62.467 -0.442 25775
2996 1 19 . 1 1 33 33 THR CB C 33 69.946 69.946 69.342 0.604 25775
2997 1 19 . 1 1 33 33 THR H H 33 7.944 7.944 7.924 0.020 25775
2998 1 19 . 1 1 34 34 PHE N N 34 121.576 121.576 123.671 -2.095 25775
2999 1 19 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.725 -0.101 25775
3000 1 19 . 1 1 34 34 PHE CA C 34 57.395 57.395 58.329 -0.934 25775
3001 1 19 . 1 1 34 34 PHE CB C 34 40.002 40.002 40.074 -0.072 25775
3002 1 19 . 1 1 34 34 PHE H H 34 8.067 8.067 8.248 -0.181 25775
3003 1 20 . 1 1 2 2 CYS N N 2 120.899 120.899 119.082 1.817 25775
3004 1 20 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.242 -0.584 25775
3005 1 20 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.297 -2.373 25775
3006 1 20 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.114 12.621 25775
3007 1 20 . 1 1 2 2 CYS H H 2 8.654 8.654 8.384 0.270 25775
3008 1 20 . 1 1 3 3 ARG N N 3 120.390 120.390 119.813 0.577 25775
3009 1 20 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.608 -0.179 25775
3010 1 20 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.519 0.677 25775
3011 1 20 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.042 -1.442 25775
3012 1 20 . 1 1 3 3 ARG H H 3 8.889 8.889 8.695 0.194 25775
3013 1 20 . 1 1 4 4 TYR N N 4 122.181 122.181 117.247 4.934 25775
3014 1 20 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.567 -0.317 25775
3015 1 20 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.274 -0.275 25775
3016 1 20 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.610 0.416 25775
3017 1 20 . 1 1 4 4 TYR H H 4 8.224 8.224 7.440 0.784 25775
3018 1 20 . 1 1 5 5 LEU N N 5 121.370 121.370 120.780 0.590 25775
3019 1 20 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.759 -0.392 25775
3020 1 20 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.432 -0.767 25775
3021 1 20 . 1 1 5 5 LEU CB C 5 42.253 42.253 42.016 0.237 25775
3022 1 20 . 1 1 5 5 LEU H H 5 6.651 6.651 8.447 -1.796 25775
3023 1 20 . 1 1 6 6 PHE N N 6 117.688 117.688 114.060 3.628 25775
3024 1 20 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.643 -0.875 25775
3025 1 20 . 1 1 6 6 PHE CA C 6 60.279 60.279 59.124 1.155 25775
3026 1 20 . 1 1 6 6 PHE CB C 6 36.071 36.071 39.022 -2.951 25775
3027 1 20 . 1 1 6 6 PHE H H 6 8.869 8.869 8.444 0.425 25775
3028 1 20 . 1 1 7 7 GLY N N 7 110.878 110.878 107.537 3.341 25775
3029 1 20 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.468 -0.088 25775
3030 1 20 . 1 1 7 7 GLY H H 7 9.113 9.113 7.705 1.408 25775
3031 1 20 . 1 1 8 8 GLY N N 8 111.369 111.369 107.361 4.008 25775
3032 1 20 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.498 1.577 25775
3033 1 20 . 1 1 8 8 GLY H H 8 8.729 8.729 7.709 1.020 25775
3034 1 20 . 1 1 9 9 CYS N N 9 115.842 115.842 118.210 -2.368 25775
3035 1 20 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.016 -0.068 25775
3036 1 20 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.380 -2.713 25775
3037 1 20 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.874 16.414 25775
3038 1 20 . 1 1 9 9 CYS H H 9 7.894 7.894 8.069 -0.175 25775
3039 1 20 . 1 1 10 10 SER N N 10 113.651 113.651 115.562 -1.911 25775
3040 1 20 . 1 1 10 10 SER HA H 10 4.591 4.591 4.683 -0.092 25775
3041 1 20 . 1 1 10 10 SER CA C 10 58.794 58.794 58.731 0.062 25775
3042 1 20 . 1 1 10 10 SER CB C 10 64.468 64.468 64.590 -0.122 25775
3043 1 20 . 1 1 10 10 SER H H 10 8.986 8.986 8.530 0.456 25775
3044 1 20 . 1 1 11 11 SER N N 11 115.967 115.967 114.249 1.718 25775
3045 1 20 . 1 1 11 11 SER HA H 11 4.668 4.668 4.836 -0.168 25775
3046 1 20 . 1 1 11 11 SER CA C 11 56.868 56.868 57.058 -0.190 25775
3047 1 20 . 1 1 11 11 SER CB C 11 65.742 65.742 65.737 0.005 25775
3048 1 20 . 1 1 11 11 SER H H 11 8.009 8.009 7.602 0.407 25775
3049 1 20 . 1 1 12 12 THR N N 12 123.963 123.963 114.677 9.286 25775
3050 1 20 . 1 1 12 12 THR HA H 12 3.808 3.808 4.148 -0.340 25775
3051 1 20 . 1 1 12 12 THR CA C 12 67.368 67.368 64.373 2.995 25775
3052 1 20 . 1 1 12 12 THR CB C 12 69.100 69.100 68.707 0.393 25775
3053 1 20 . 1 1 12 12 THR H H 12 9.412 9.412 8.554 0.858 25775
3054 1 20 . 1 1 13 13 SER N N 13 121.263 121.263 116.048 5.215 25775
3055 1 20 . 1 1 13 13 SER HA H 13 4.012 4.012 4.206 -0.194 25775
3056 1 20 . 1 1 13 13 SER CA C 13 60.968 60.968 60.278 0.690 25775
3057 1 20 . 1 1 13 13 SER CB C 13 62.880 62.880 62.649 0.231 25775
3058 1 20 . 1 1 13 13 SER H H 13 8.728 8.728 8.200 0.528 25775
3059 1 20 . 1 1 14 14 ASP N N 14 118.050 118.050 120.215 -2.165 25775
3060 1 20 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.526 -0.289 25775
3061 1 20 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.786 -1.796 25775
3062 1 20 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.411 -3.995 25775
3063 1 20 . 1 1 14 14 ASP H H 14 8.619 8.619 7.762 0.857 25775
3064 1 20 . 1 1 15 15 CYS N N 15 117.779 117.779 119.179 -1.400 25775
3065 1 20 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.334 0.787 25775
3066 1 20 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.197 -6.599 25775
3067 1 20 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.975 14.985 25775
3068 1 20 . 1 1 15 15 CYS H H 15 8.058 8.058 7.643 0.415 25775
3069 1 20 . 1 1 16 16 CYS N N 16 120.718 120.718 123.457 -2.739 25775
3070 1 20 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.464 0.116 25775
3071 1 20 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.667 -5.051 25775
3072 1 20 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.913 11.472 25775
3073 1 20 . 1 1 16 16 CYS H H 16 9.093 9.093 8.782 0.311 25775
3074 1 20 . 1 1 17 17 LYS N N 17 117.710 117.710 121.184 -3.474 25775
3075 1 20 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.479 -0.540 25775
3076 1 20 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.205 2.873 25775
3077 1 20 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.446 1.033 25775
3078 1 20 . 1 1 17 17 LYS H H 17 7.907 7.907 8.160 -0.253 25775
3079 1 20 . 1 1 18 18 HIS N N 18 112.192 112.192 114.112 -1.920 25775
3080 1 20 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.197 0.003 25775
3081 1 20 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.220 1.628 25775
3082 1 20 . 1 1 18 18 HIS CB C 18 26.901 26.901 29.272 -2.371 25775
3083 1 20 . 1 1 18 18 HIS H H 18 8.578 8.578 8.201 0.377 25775
3084 1 20 . 1 1 19 19 LEU N N 19 118.755 118.755 116.925 1.830 25775
3085 1 20 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.845 0.211 25775
3086 1 20 . 1 1 19 19 LEU CA C 19 54.039 54.039 53.282 0.757 25775
3087 1 20 . 1 1 19 19 LEU CB C 19 44.366 44.366 44.573 -0.207 25775
3088 1 20 . 1 1 19 19 LEU H H 19 7.894 7.894 7.600 0.294 25775
3089 1 20 . 1 1 20 20 SER N N 20 113.497 113.497 116.307 -2.810 25775
3090 1 20 . 1 1 20 20 SER HA H 20 4.848 4.848 4.574 0.274 25775
3091 1 20 . 1 1 20 20 SER CA C 20 56.143 56.143 57.290 -1.147 25775
3092 1 20 . 1 1 20 20 SER CB C 20 65.870 65.870 64.766 1.104 25775
3093 1 20 . 1 1 20 20 SER H H 20 9.339 9.339 8.617 0.722 25775
3094 1 20 . 1 1 21 21 CYS N N 21 123.504 123.504 126.022 -2.518 25775
3095 1 20 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.286 0.352 25775
3096 1 20 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.813 -5.434 25775
3097 1 20 . 1 1 21 21 CYS CB C 21 41.159 41.159 25.686 15.473 25775
3098 1 20 . 1 1 21 21 CYS H H 21 8.700 8.700 8.968 -0.268 25775
3099 1 20 . 1 1 22 22 ARG N N 22 131.352 131.352 128.180 3.172 25775
3100 1 20 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.469 -0.285 25775
3101 1 20 . 1 1 22 22 ARG CA C 22 56.079 56.079 56.033 0.046 25775
3102 1 20 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.329 -0.954 25775
3103 1 20 . 1 1 22 22 ARG H H 22 8.425 8.425 7.823 0.602 25775
3104 1 20 . 1 1 23 23 SER N N 23 116.579 116.579 117.418 -0.839 25775
3105 1 20 . 1 1 23 23 SER HA H 23 4.259 4.259 4.326 -0.067 25775
3106 1 20 . 1 1 23 23 SER CA C 23 60.879 60.879 59.804 1.075 25775
3107 1 20 . 1 1 23 23 SER CB C 23 63.926 63.926 62.976 0.950 25775
3108 1 20 . 1 1 23 23 SER H H 23 8.191 8.191 8.789 -0.598 25775
3109 1 20 . 1 1 24 24 ASP N N 24 118.399 118.399 121.035 -2.636 25775
3110 1 20 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.530 0.061 25775
3111 1 20 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.360 -0.673 25775
3112 1 20 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.749 -1.211 25775
3113 1 20 . 1 1 24 24 ASP H H 24 7.746 7.746 8.474 -0.728 25775
3114 1 20 . 1 1 25 25 TRP N N 25 120.253 120.253 118.723 1.530 25775
3115 1 20 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.707 -0.036 25775
3116 1 20 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.406 -2.748 25775
3117 1 20 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.209 0.835 25775
3118 1 20 . 1 1 25 25 TRP H H 25 7.962 7.962 8.128 -0.166 25775
3119 1 20 . 1 1 26 26 LYS N N 26 114.205 114.205 116.135 -1.930 25775
3120 1 20 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.133 -0.223 25775
3121 1 20 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.334 -0.687 25775
3122 1 20 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.333 -1.348 25775
3123 1 20 . 1 1 26 26 LYS H H 26 8.161 8.161 8.350 -0.189 25775
3124 1 20 . 1 1 27 27 TYR N N 27 111.730 111.730 113.999 -2.269 25775
3125 1 20 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.023 0.499 25775
3126 1 20 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.710 0.144 25775
3127 1 20 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.687 0.583 25775
3128 1 20 . 1 1 27 27 TYR H H 27 6.879 6.879 7.944 -1.065 25775
3129 1 20 . 1 1 28 28 CYS N N 28 119.698 119.698 121.158 -1.460 25775
3130 1 20 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.299 0.564 25775
3131 1 20 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.367 -4.630 25775
3132 1 20 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.911 14.102 25775
3133 1 20 . 1 1 28 28 CYS H H 28 8.916 8.916 8.477 0.439 25775
3134 1 20 . 1 1 29 29 ALA N N 29 128.521 128.521 125.234 3.287 25775
3135 1 20 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.427 0.217 25775
3136 1 20 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.699 -0.181 25775
3137 1 20 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.875 1.173 25775
3138 1 20 . 1 1 29 29 ALA H H 29 9.484 9.484 8.075 1.409 25775
3139 1 20 . 1 1 30 30 TRP N N 30 120.346 120.346 123.134 -2.788 25775
3140 1 20 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.557 0.189 25775
3141 1 20 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.578 -0.580 25775
3142 1 20 . 1 1 30 30 TRP H H 30 7.950 7.950 8.607 -0.657 25775
3143 1 20 . 1 1 31 31 ASP N N 31 123.675 123.675 118.025 5.650 25775
3144 1 20 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.223 0.419 25775
3145 1 20 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.978 0.164 25775
3146 1 20 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.360 -0.412 25775
3147 1 20 . 1 1 31 31 ASP H H 31 8.669 8.669 8.979 -0.310 25775
3148 1 20 . 1 1 32 32 GLY N N 32 109.050 109.050 106.918 2.132 25775
3149 1 20 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.014 0.533 25775
3150 1 20 . 1 1 32 32 GLY H H 32 7.944 7.944 8.029 -0.085 25775
3151 1 20 . 1 1 33 33 THR N N 33 112.503 112.503 116.681 -4.178 25775
3152 1 20 . 1 1 33 33 THR HA H 33 4.316 4.316 4.319 -0.003 25775
3153 1 20 . 1 1 33 33 THR CA C 33 62.025 62.025 62.647 -0.622 25775
3154 1 20 . 1 1 33 33 THR CB C 33 69.946 69.946 69.498 0.448 25775
3155 1 20 . 1 1 33 33 THR H H 33 7.944 7.944 8.111 -0.167 25775
3156 1 20 . 1 1 34 34 PHE N N 34 121.576 121.576 125.671 -4.095 25775
3157 1 20 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.519 0.105 25775
3158 1 20 . 1 1 34 34 PHE CA C 34 57.395 57.395 58.267 -0.872 25775
3159 1 20 . 1 1 34 34 PHE CB C 34 40.002 40.002 38.492 1.510 25775
3160 1 20 . 1 1 34 34 PHE H H 34 8.067 8.067 8.655 -0.588 25775
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 33 3.297 -0.583 3.296 25775
2 1 1 "Average Difference" HA 36 0.409 -0.030 0.414 25775
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25775
4 1 1 "Average Difference" CA 32 2.386 0.608 2.345 25775
5 1 1 "Average Difference" CB 30 6.441 -2.527 6.026 25775
6 1 1 "Average Difference" HN 33 0.694 -0.142 0.689 25775
7 1 2 "Average Difference" N 33 3.106 -0.640 3.087 25775
8 1 2 "Average Difference" HA 36 0.382 -0.027 0.386 25775
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25775
10 1 2 "Average Difference" CA 32 2.327 0.554 2.296 25775
11 1 2 "Average Difference" CB 30 6.409 -2.536 5.987 25775
12 1 2 "Average Difference" HN 33 0.714 -0.198 0.697 25775
13 1 3 "Average Difference" N 33 3.052 -0.250 3.089 25775
14 1 3 "Average Difference" HA 36 0.351 -0.020 0.356 25775
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25775
16 1 3 "Average Difference" CA 32 2.360 0.691 2.293 25775
17 1 3 "Average Difference" CB 30 6.563 -2.637 6.112 25775
18 1 3 "Average Difference" HN 33 0.675 -0.142 0.670 25775
19 1 4 "Average Difference" N 33 3.314 -0.596 3.311 25775
20 1 4 "Average Difference" HA 36 0.405 -0.014 0.410 25775
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25775
22 1 4 "Average Difference" CA 32 2.354 0.654 2.297 25775
23 1 4 "Average Difference" CB 30 6.368 -2.598 5.914 25775
24 1 4 "Average Difference" HN 33 0.698 -0.111 0.700 25775
25 1 5 "Average Difference" N 33 2.983 -0.492 2.988 25775
26 1 5 "Average Difference" HA 36 0.366 -0.055 0.367 25775
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25775
28 1 5 "Average Difference" CA 32 2.404 0.554 2.377 25775
29 1 5 "Average Difference" CB 30 6.637 -2.650 6.189 25775
30 1 5 "Average Difference" HN 33 0.724 -0.185 0.711 25775
31 1 6 "Average Difference" N 33 3.127 -0.372 3.153 25775
32 1 6 "Average Difference" HA 36 0.362 -0.037 0.365 25775
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25775
34 1 6 "Average Difference" CA 32 2.387 0.671 2.327 25775
35 1 6 "Average Difference" CB 30 6.542 -2.583 6.113 25775
36 1 6 "Average Difference" HN 33 0.681 -0.150 0.675 25775
37 1 7 "Average Difference" N 33 3.324 -0.240 3.367 25775
38 1 7 "Average Difference" HA 36 0.425 -0.020 0.430 25775
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25775
40 1 7 "Average Difference" CA 32 2.368 0.624 2.321 25775
41 1 7 "Average Difference" CB 30 6.454 -2.613 6.003 25775
42 1 7 "Average Difference" HN 33 0.711 -0.133 0.710 25775
43 1 8 "Average Difference" N 33 3.235 -0.786 3.187 25775
44 1 8 "Average Difference" HA 36 0.390 -0.046 0.392 25775
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25775
46 1 8 "Average Difference" CA 32 2.390 0.648 2.337 25775
47 1 8 "Average Difference" CB 30 6.379 -2.567 5.940 25775
48 1 8 "Average Difference" HN 33 0.705 -0.198 0.687 25775
49 1 9 "Average Difference" N 33 3.211 -0.345 3.241 25775
50 1 9 "Average Difference" HA 36 0.374 -0.044 0.377 25775
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25775
52 1 9 "Average Difference" CA 32 2.358 0.605 2.315 25775
53 1 9 "Average Difference" CB 30 6.421 -2.696 5.927 25775
54 1 9 "Average Difference" HN 33 0.712 -0.222 0.687 25775
55 1 10 "Average Difference" N 33 3.280 -0.582 3.278 25775
56 1 10 "Average Difference" HA 36 0.387 -0.028 0.392 25775
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25775
58 1 10 "Average Difference" CA 32 2.398 0.667 2.340 25775
59 1 10 "Average Difference" CB 30 6.442 -2.478 6.048 25775
60 1 10 "Average Difference" HN 33 0.696 -0.168 0.686 25775
61 1 11 "Average Difference" N 33 3.262 -0.447 3.281 25775
62 1 11 "Average Difference" HA 36 0.404 -0.023 0.409 25775
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25775
64 1 11 "Average Difference" CA 32 2.357 0.617 2.311 25775
65 1 11 "Average Difference" CB 30 6.368 -2.685 5.873 25775
66 1 11 "Average Difference" HN 33 0.687 -0.168 0.677 25775
67 1 12 "Average Difference" N 33 3.146 -0.706 3.113 25775
68 1 12 "Average Difference" HA 36 0.410 -0.037 0.414 25775
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25775
70 1 12 "Average Difference" CA 32 2.344 0.607 2.300 25775
71 1 12 "Average Difference" CB 30 6.438 -2.551 6.013 25775
72 1 12 "Average Difference" HN 33 0.721 -0.175 0.711 25775
73 1 13 "Average Difference" N 33 3.183 -0.492 3.194 25775
74 1 13 "Average Difference" HA 36 0.362 -0.033 0.365 25775
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25775
76 1 13 "Average Difference" CA 32 2.388 0.659 2.332 25775
77 1 13 "Average Difference" CB 30 6.528 -2.742 6.026 25775
78 1 13 "Average Difference" HN 33 0.696 -0.132 0.694 25775
79 1 14 "Average Difference" N 33 3.174 -0.785 3.123 25775
80 1 14 "Average Difference" HA 36 0.409 -0.048 0.412 25775
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25775
82 1 14 "Average Difference" CA 32 2.431 0.569 2.402 25775
83 1 14 "Average Difference" CB 30 6.468 -2.524 6.057 25775
84 1 14 "Average Difference" HN 33 0.708 -0.157 0.702 25775
85 1 15 "Average Difference" N 33 3.030 -0.567 3.023 25775
86 1 15 "Average Difference" HA 36 0.368 -0.029 0.372 25775
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25775
88 1 15 "Average Difference" CA 32 2.354 0.572 2.320 25775
89 1 15 "Average Difference" CB 30 6.424 -2.620 5.966 25775
90 1 15 "Average Difference" HN 33 0.711 -0.132 0.710 25775
91 1 16 "Average Difference" N 33 3.064 -0.755 3.016 25775
92 1 16 "Average Difference" HA 36 0.378 -0.041 0.382 25775
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25775
94 1 16 "Average Difference" CA 32 2.374 0.594 2.335 25775
95 1 16 "Average Difference" CB 30 6.455 -2.765 5.932 25775
96 1 16 "Average Difference" HN 33 0.722 -0.185 0.709 25775
97 1 17 "Average Difference" N 33 3.139 -0.491 3.148 25775
98 1 17 "Average Difference" HA 36 0.386 -0.014 0.391 25775
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25775
100 1 17 "Average Difference" CA 32 2.362 0.659 2.304 25775
101 1 17 "Average Difference" CB 30 6.366 -2.581 5.920 25775
102 1 17 "Average Difference" HN 33 0.713 -0.191 0.698 25775
103 1 18 "Average Difference" N 33 3.237 -0.347 3.268 25775
104 1 18 "Average Difference" HA 36 0.378 -0.039 0.382 25775
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25775
106 1 18 "Average Difference" CA 32 2.408 0.649 2.355 25775
107 1 18 "Average Difference" CB 30 6.562 -2.686 6.089 25775
108 1 18 "Average Difference" HN 33 0.717 -0.185 0.703 25775
109 1 19 "Average Difference" N 33 3.049 -0.512 3.053 25775
110 1 19 "Average Difference" HA 36 0.381 -0.055 0.382 25775
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25775
112 1 19 "Average Difference" CA 32 2.357 0.724 2.278 25775
113 1 19 "Average Difference" CB 30 6.536 -2.667 6.069 25775
114 1 19 "Average Difference" HN 33 0.700 -0.194 0.683 25775
115 1 20 "Average Difference" N 33 3.313 -0.340 3.346 25775
116 1 20 "Average Difference" HA 36 0.375 -0.034 0.379 25775
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25775
118 1 20 "Average Difference" CA 32 2.336 0.702 2.264 25775
119 1 20 "Average Difference" CB 30 6.503 -2.613 6.057 25775
120 1 20 "Average Difference" HN 33 0.696 -0.143 0.692 25775
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 25775
_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 CYS N N 2 120.899 120.899 119.942 0.957 25775
2 1 . 1 1 2 2 CYS HA H 2 4.658 4.658 5.409 -0.751 25775
3 1 . 1 1 2 2 CYS CA C 2 54.925 54.925 57.507 -2.582 25775
4 1 . 1 1 2 2 CYS CB C 2 41.735 41.735 29.207 12.527 25775
5 1 . 1 1 2 2 CYS H H 2 8.654 8.654 8.476 0.178 25775
6 1 . 1 1 3 3 ARG N N 3 120.390 120.390 120.138 0.252 25775
7 1 . 1 1 3 3 ARG HA H 3 4.429 4.429 4.596 -0.167 25775
8 1 . 1 1 3 3 ARG CA C 3 55.196 55.196 54.359 0.837 25775
9 1 . 1 1 3 3 ARG CB C 3 31.600 31.600 33.222 -1.622 25775
10 1 . 1 1 3 3 ARG H H 3 8.889 8.889 8.642 0.247 25775
11 1 . 1 1 4 4 TYR N N 4 122.181 122.181 116.230 5.951 25775
12 1 . 1 1 4 4 TYR HA H 4 4.250 4.250 4.557 -0.307 25775
13 1 . 1 1 4 4 TYR CA C 4 55.999 55.999 56.052 -0.053 25775
14 1 . 1 1 4 4 TYR CB C 4 39.026 39.026 38.526 0.500 25775
15 1 . 1 1 4 4 TYR H H 4 8.224 8.224 7.436 0.788 25775
16 1 . 1 1 5 5 LEU N N 5 121.370 121.370 120.627 0.743 25775
17 1 . 1 1 5 5 LEU HA H 5 3.367 3.367 3.754 -0.387 25775
18 1 . 1 1 5 5 LEU CA C 5 56.665 56.665 57.270 -0.605 25775
19 1 . 1 1 5 5 LEU CB C 5 42.253 42.253 41.917 0.335 25775
20 1 . 1 1 5 5 LEU H H 5 6.651 6.651 8.338 -1.687 25775
21 1 . 1 1 6 6 PHE N N 6 117.688 117.688 113.726 3.962 25775
22 1 . 1 1 6 6 PHE HA H 6 3.768 3.768 4.641 -0.873 25775
23 1 . 1 1 6 6 PHE CA C 6 60.279 60.279 58.880 1.399 25775
24 1 . 1 1 6 6 PHE CB C 6 36.071 36.071 38.531 -2.460 25775
25 1 . 1 1 6 6 PHE H H 6 8.869 8.869 8.237 0.632 25775
26 1 . 1 1 7 7 GLY N N 7 110.878 110.878 107.574 3.304 25775
27 1 . 1 1 7 7 GLY CA C 7 45.380 45.380 45.499 -0.119 25775
28 1 . 1 1 7 7 GLY H H 7 9.113 9.113 7.714 1.399 25775
29 1 . 1 1 8 8 GLY N N 8 111.369 111.369 107.674 3.695 25775
30 1 . 1 1 8 8 GLY CA C 8 46.075 46.075 44.468 1.607 25775
31 1 . 1 1 8 8 GLY H H 8 8.729 8.729 7.691 1.038 25775
32 1 . 1 1 9 9 CYS N N 9 115.842 115.842 118.213 -2.371 25775
33 1 . 1 1 9 9 CYS HA H 9 4.948 4.948 5.025 -0.077 25775
34 1 . 1 1 9 9 CYS CA C 9 53.667 53.667 56.670 -3.003 25775
35 1 . 1 1 9 9 CYS CB C 9 47.288 47.288 30.981 16.307 25775
36 1 . 1 1 9 9 CYS H H 9 7.894 7.894 8.047 -0.153 25775
37 1 . 1 1 10 10 SER N N 10 113.651 113.651 115.280 -1.629 25775
38 1 . 1 1 10 10 SER HA H 10 4.591 4.591 4.596 -0.005 25775
39 1 . 1 1 10 10 SER CA C 10 58.794 58.794 59.071 -0.277 25775
40 1 . 1 1 10 10 SER CB C 10 64.468 64.468 64.329 0.139 25775
41 1 . 1 1 10 10 SER H H 10 8.986 8.986 8.550 0.436 25775
42 1 . 1 1 11 11 SER N N 11 115.967 115.967 114.984 0.983 25775
43 1 . 1 1 11 11 SER HA H 11 4.668 4.668 4.753 -0.085 25775
44 1 . 1 1 11 11 SER CA C 11 56.868 56.868 56.666 0.202 25775
45 1 . 1 1 11 11 SER CB C 11 65.742 65.742 65.309 0.433 25775
46 1 . 1 1 11 11 SER H H 11 8.009 8.009 7.669 0.340 25775
47 1 . 1 1 12 12 THR N N 12 123.963 123.963 115.728 8.235 25775
48 1 . 1 1 12 12 THR HA H 12 3.808 3.808 4.127 -0.319 25775
49 1 . 1 1 12 12 THR CA C 12 67.368 67.368 64.271 3.097 25775
50 1 . 1 1 12 12 THR CB C 12 69.100 69.100 68.524 0.576 25775
51 1 . 1 1 12 12 THR H H 12 9.412 9.412 8.671 0.741 25775
52 1 . 1 1 13 13 SER N N 13 121.263 121.263 116.356 4.907 25775
53 1 . 1 1 13 13 SER HA H 13 4.012 4.012 4.203 -0.191 25775
54 1 . 1 1 13 13 SER CA C 13 60.968 60.968 60.436 0.532 25775
55 1 . 1 1 13 13 SER CB C 13 62.880 62.880 62.757 0.123 25775
56 1 . 1 1 13 13 SER H H 13 8.728 8.728 7.995 0.733 25775
57 1 . 1 1 14 14 ASP N N 14 118.050 118.050 120.779 -2.729 25775
58 1 . 1 1 14 14 ASP HA H 14 4.237 4.237 4.564 -0.327 25775
59 1 . 1 1 14 14 ASP CA C 14 54.990 54.990 56.518 -1.528 25775
60 1 . 1 1 14 14 ASP CB C 14 37.416 37.416 41.433 -4.017 25775
61 1 . 1 1 14 14 ASP H H 14 8.619 8.619 7.653 0.966 25775
62 1 . 1 1 15 15 CYS N N 15 117.779 117.779 119.073 -1.294 25775
63 1 . 1 1 15 15 CYS HA H 15 5.121 5.121 4.335 0.786 25775
64 1 . 1 1 15 15 CYS CA C 15 53.598 53.598 60.209 -6.612 25775
65 1 . 1 1 15 15 CYS CB C 15 40.960 40.960 25.836 15.124 25775
66 1 . 1 1 15 15 CYS H H 15 8.058 8.058 7.613 0.445 25775
67 1 . 1 1 16 16 CYS N N 16 120.718 120.718 123.439 -2.721 25775
68 1 . 1 1 16 16 CYS HA H 16 4.580 4.580 4.455 0.125 25775
69 1 . 1 1 16 16 CYS CA C 16 53.616 53.616 58.656 -5.040 25775
70 1 . 1 1 16 16 CYS CB C 16 39.385 39.385 27.863 11.522 25775
71 1 . 1 1 16 16 CYS H H 16 9.093 9.093 8.778 0.315 25775
72 1 . 1 1 17 17 LYS N N 17 117.710 117.710 121.204 -3.494 25775
73 1 . 1 1 17 17 LYS HA H 17 3.939 3.939 4.324 -0.385 25775
74 1 . 1 1 17 17 LYS CA C 17 58.078 58.078 55.094 2.984 25775
75 1 . 1 1 17 17 LYS CB C 17 32.479 32.479 31.558 0.921 25775
76 1 . 1 1 17 17 LYS H H 17 7.907 7.907 8.156 -0.249 25775
77 1 . 1 1 18 18 HIS N N 18 112.192 112.192 112.782 -0.590 25775
78 1 . 1 1 18 18 HIS HA H 18 4.200 4.200 4.216 -0.016 25775
79 1 . 1 1 18 18 HIS CA C 18 57.848 57.848 56.314 1.534 25775
80 1 . 1 1 18 18 HIS CB C 18 26.901 26.901 28.080 -1.179 25775
81 1 . 1 1 18 18 HIS H H 18 8.578 8.578 8.130 0.448 25775
82 1 . 1 1 19 19 LEU N N 19 118.755 118.755 117.165 1.590 25775
83 1 . 1 1 19 19 LEU HA H 19 5.056 5.056 4.881 0.175 25775
84 1 . 1 1 19 19 LEU CA C 19 54.039 54.039 52.932 1.107 25775
85 1 . 1 1 19 19 LEU CB C 19 44.366 44.366 45.333 -0.967 25775
86 1 . 1 1 19 19 LEU H H 19 7.894 7.894 7.549 0.345 25775
87 1 . 1 1 20 20 SER N N 20 113.497 113.497 115.379 -1.882 25775
88 1 . 1 1 20 20 SER HA H 20 4.848 4.848 4.566 0.283 25775
89 1 . 1 1 20 20 SER CA C 20 56.143 56.143 56.954 -0.811 25775
90 1 . 1 1 20 20 SER CB C 20 65.870 65.870 64.748 1.122 25775
91 1 . 1 1 20 20 SER H H 20 9.339 9.339 8.492 0.847 25775
92 1 . 1 1 21 21 CYS N N 21 123.504 123.504 125.690 -2.186 25775
93 1 . 1 1 21 21 CYS HA H 21 4.638 4.638 4.277 0.361 25775
94 1 . 1 1 21 21 CYS CA C 21 53.379 53.379 58.889 -5.510 25775
95 1 . 1 1 21 21 CYS CB C 21 41.159 41.159 26.049 15.110 25775
96 1 . 1 1 21 21 CYS H H 21 8.700 8.700 8.917 -0.217 25775
97 1 . 1 1 22 22 ARG N N 22 131.352 131.352 128.272 3.080 25775
98 1 . 1 1 22 22 ARG HA H 22 4.184 4.184 4.513 -0.329 25775
99 1 . 1 1 22 22 ARG CA C 22 56.079 56.079 55.582 0.497 25775
100 1 . 1 1 22 22 ARG CB C 22 30.375 30.375 31.438 -1.063 25775
101 1 . 1 1 22 22 ARG H H 22 8.425 8.425 8.136 0.289 25775
102 1 . 1 1 23 23 SER N N 23 116.579 116.579 117.311 -0.732 25775
103 1 . 1 1 23 23 SER HA H 23 4.259 4.259 4.316 -0.057 25775
104 1 . 1 1 23 23 SER CA C 23 60.879 60.879 60.079 0.800 25775
105 1 . 1 1 23 23 SER CB C 23 63.926 63.926 63.093 0.832 25775
106 1 . 1 1 23 23 SER H H 23 8.191 8.191 8.791 -0.600 25775
107 1 . 1 1 24 24 ASP N N 24 118.399 118.399 121.376 -2.977 25775
108 1 . 1 1 24 24 ASP HA H 24 4.591 4.591 4.614 -0.023 25775
109 1 . 1 1 24 24 ASP CA C 24 55.687 55.687 56.625 -0.938 25775
110 1 . 1 1 24 24 ASP CB C 24 39.538 39.538 40.795 -1.257 25775
111 1 . 1 1 24 24 ASP H H 24 7.746 7.746 8.509 -0.763 25775
112 1 . 1 1 25 25 TRP N N 25 120.253 120.253 118.820 1.433 25775
113 1 . 1 1 25 25 TRP HA H 25 4.671 4.671 4.709 -0.038 25775
114 1 . 1 1 25 25 TRP CA C 25 54.658 54.658 57.354 -2.696 25775
115 1 . 1 1 25 25 TRP CB C 25 31.044 31.044 30.288 0.756 25775
116 1 . 1 1 25 25 TRP H H 25 7.962 7.962 8.072 -0.110 25775
117 1 . 1 1 26 26 LYS N N 26 114.205 114.205 116.234 -2.029 25775
118 1 . 1 1 26 26 LYS HA H 26 3.910 3.910 4.143 -0.233 25775
119 1 . 1 1 26 26 LYS CA C 26 56.647 56.647 57.274 -0.627 25775
120 1 . 1 1 26 26 LYS CB C 26 27.985 27.985 29.378 -1.393 25775
121 1 . 1 1 26 26 LYS H H 26 8.161 8.161 8.367 -0.206 25775
122 1 . 1 1 27 27 TYR N N 27 111.730 111.730 113.461 -1.731 25775
123 1 . 1 1 27 27 TYR HA H 27 5.522 5.522 5.017 0.505 25775
124 1 . 1 1 27 27 TYR CA C 27 55.854 55.854 55.607 0.247 25775
125 1 . 1 1 27 27 TYR CB C 27 41.270 41.270 40.691 0.579 25775
126 1 . 1 1 27 27 TYR H H 27 6.879 6.879 7.923 -1.044 25775
127 1 . 1 1 28 28 CYS N N 28 119.698 119.698 121.223 -1.525 25775
128 1 . 1 1 28 28 CYS HA H 28 4.863 4.863 4.326 0.537 25775
129 1 . 1 1 28 28 CYS CA C 28 55.737 55.737 60.367 -4.630 25775
130 1 . 1 1 28 28 CYS CB C 28 41.013 41.013 26.950 14.063 25775
131 1 . 1 1 28 28 CYS H H 28 8.916 8.916 8.547 0.369 25775
132 1 . 1 1 29 29 ALA N N 29 128.521 128.521 125.162 3.359 25775
133 1 . 1 1 29 29 ALA HA H 29 4.644 4.644 4.430 0.214 25775
134 1 . 1 1 29 29 ALA CA C 29 50.518 50.518 50.619 -0.101 25775
135 1 . 1 1 29 29 ALA CB C 29 23.048 23.048 21.748 1.300 25775
136 1 . 1 1 29 29 ALA H H 29 9.484 9.484 8.033 1.451 25775
137 1 . 1 1 30 30 TRP N N 30 120.346 120.346 122.937 -2.591 25775
138 1 . 1 1 30 30 TRP HA H 30 4.746 4.746 4.504 0.242 25775
139 1 . 1 1 30 30 TRP CB C 30 29.998 29.998 30.345 -0.348 25775
140 1 . 1 1 30 30 TRP H H 30 7.950 7.950 8.523 -0.573 25775
141 1 . 1 1 31 31 ASP N N 31 123.675 123.675 117.926 5.749 25775
142 1 . 1 1 31 31 ASP HA H 31 4.642 4.642 4.253 0.389 25775
143 1 . 1 1 31 31 ASP CA C 31 55.142 55.142 54.832 0.310 25775
144 1 . 1 1 31 31 ASP CB C 31 38.948 38.948 39.230 -0.282 25775
145 1 . 1 1 31 31 ASP H H 31 8.669 8.669 9.185 -0.516 25775
146 1 . 1 1 32 32 GLY N N 32 109.050 109.050 106.480 2.570 25775
147 1 . 1 1 32 32 GLY CA C 32 45.546 45.546 45.024 0.522 25775
148 1 . 1 1 32 32 GLY H H 32 7.944 7.944 7.949 -0.005 25775
149 1 . 1 1 33 33 THR N N 33 112.503 112.503 114.688 -2.185 25775
150 1 . 1 1 33 33 THR HA H 33 4.316 4.316 4.122 0.194 25775
151 1 . 1 1 33 33 THR CA C 33 62.025 62.025 62.542 -0.517 25775
152 1 . 1 1 33 33 THR CB C 33 69.946 69.946 69.354 0.592 25775
153 1 . 1 1 33 33 THR H H 33 7.944 7.944 7.983 -0.039 25775
154 1 . 1 1 34 34 PHE N N 34 121.576 121.576 122.647 -1.071 25775
155 1 . 1 1 34 34 PHE HA H 34 4.624 4.624 4.710 -0.086 25775
156 1 . 1 1 34 34 PHE CA C 34 57.395 57.395 57.632 -0.237 25775
157 1 . 1 1 34 34 PHE CB C 34 40.002 40.002 39.798 0.204 25775
158 1 . 1 1 34 34 PHE H H 34 8.067 8.067 8.450 -0.383 25775
stop_
save_