data_19300
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19300
_Entry.PDB_ID 2M9L
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 19300
_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 2 120.737 120.737 119.244 1.493 19300
2 1 1 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.568 0.256 19300
3 1 1 . 1 1 2 2 CYS H H 2 8.701 8.701 8.366 0.335 19300
4 1 1 . 1 1 3 3 ARG N N 3 120.701 120.701 122.620 -1.919 19300
5 1 1 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.730 -0.352 19300
6 1 1 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.181 2.973 19300
7 1 1 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.331 -0.606 19300
8 1 1 . 1 1 3 3 ARG H H 3 8.970 8.970 8.299 0.671 19300
9 1 1 . 1 1 4 4 TYR N N 4 122.006 122.006 119.728 2.278 19300
10 1 1 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.672 -0.382 19300
11 1 1 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.284 1.052 19300
12 1 1 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.064 0.033 19300
13 1 1 . 1 1 4 4 TYR H H 4 8.190 8.190 7.996 0.194 19300
14 1 1 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.192 -0.578 19300
15 1 1 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.320 1.166 19300
16 1 1 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.971 -0.311 19300
17 1 1 . 1 1 6 6 LEU N N 6 121.148 121.148 119.903 1.245 19300
18 1 1 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.065 -0.105 19300
19 1 1 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.962 2.057 19300
20 1 1 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.873 -0.622 19300
21 1 1 . 1 1 6 6 LEU H H 6 8.701 8.701 8.493 0.208 19300
22 1 1 . 1 1 7 7 GLY N N 7 110.200 110.200 105.414 4.786 19300
23 1 1 . 1 1 7 7 GLY CA C 7 44.810 44.810 44.965 -0.155 19300
24 1 1 . 1 1 7 7 GLY H H 7 8.947 8.947 7.780 1.167 19300
25 1 1 . 1 1 8 8 GLY N N 8 110.973 110.973 107.931 3.042 19300
26 1 1 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.391 2.211 19300
27 1 1 . 1 1 8 8 GLY H H 8 8.699 8.699 8.057 0.642 19300
28 1 1 . 1 1 9 9 CYS N N 9 117.019 117.019 118.360 -1.341 19300
29 1 1 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.680 0.532 19300
30 1 1 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.503 -2.323 19300
31 1 1 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.562 16.357 19300
32 1 1 . 1 1 9 9 CYS H H 9 8.407 8.407 8.286 0.121 19300
33 1 1 . 1 1 10 10 SER N N 10 116.524 116.524 115.234 1.290 19300
34 1 1 . 1 1 10 10 SER HA H 10 4.384 4.384 4.467 -0.083 19300
35 1 1 . 1 1 10 10 SER CA C 10 59.172 59.172 58.141 1.031 19300
36 1 1 . 1 1 10 10 SER CB C 10 63.793 63.793 64.756 -0.963 19300
37 1 1 . 1 1 10 10 SER H H 10 8.180 8.180 8.126 0.054 19300
38 1 1 . 1 1 11 11 ALA N N 11 124.635 124.635 124.885 -0.250 19300
39 1 1 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.305 0.154 19300
40 1 1 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.909 -1.244 19300
41 1 1 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.791 -0.605 19300
42 1 1 . 1 1 11 11 ALA H H 11 8.648 8.648 8.480 0.168 19300
43 1 1 . 1 1 12 12 GLY N N 12 106.219 106.219 105.483 0.736 19300
44 1 1 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.099 0.232 19300
45 1 1 . 1 1 12 12 GLY H H 12 8.060 8.060 8.291 -0.231 19300
46 1 1 . 1 1 13 13 GLN N N 13 121.578 121.578 120.093 1.485 19300
47 1 1 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.718 -0.407 19300
48 1 1 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.195 0.959 19300
49 1 1 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.623 -2.945 19300
50 1 1 . 1 1 13 13 GLN H H 13 8.394 8.394 7.299 1.095 19300
51 1 1 . 1 1 14 14 THR N N 14 115.982 115.982 113.239 2.743 19300
52 1 1 . 1 1 14 14 THR HA H 14 4.359 4.359 4.605 -0.246 19300
53 1 1 . 1 1 14 14 THR CA C 14 61.622 61.622 60.992 0.630 19300
54 1 1 . 1 1 14 14 THR CB C 14 70.762 70.762 71.887 -1.125 19300
55 1 1 . 1 1 14 14 THR H H 14 8.310 8.310 8.277 0.033 19300
56 1 1 . 1 1 15 15 CYS N N 15 123.244 123.244 120.097 3.147 19300
57 1 1 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.882 0.176 19300
58 1 1 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.399 -3.524 19300
59 1 1 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.446 12.767 19300
60 1 1 . 1 1 15 15 CYS H H 15 8.996 8.996 8.489 0.507 19300
61 1 1 . 1 1 16 16 CYS N N 16 121.708 121.708 122.780 -1.072 19300
62 1 1 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.343 0.211 19300
63 1 1 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.046 -6.236 19300
64 1 1 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.041 11.627 19300
65 1 1 . 1 1 16 16 CYS H H 16 9.380 9.380 8.950 0.430 19300
66 1 1 . 1 1 17 17 LYS N N 17 117.934 117.934 121.647 -3.713 19300
67 1 1 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.146 -0.165 19300
68 1 1 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.825 0.509 19300
69 1 1 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.123 -0.608 19300
70 1 1 . 1 1 17 17 LYS H H 17 7.931 7.931 8.706 -0.775 19300
71 1 1 . 1 1 18 18 HIS N N 18 112.381 112.381 114.610 -2.229 19300
72 1 1 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.398 -0.018 19300
73 1 1 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.390 -2.941 19300
74 1 1 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.468 -2.633 19300
75 1 1 . 1 1 18 18 HIS H H 18 8.601 8.601 8.846 -0.245 19300
76 1 1 . 1 1 19 19 LEU N N 19 119.252 119.252 116.726 2.526 19300
77 1 1 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.505 -0.206 19300
78 1 1 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.619 0.404 19300
79 1 1 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.035 -1.680 19300
80 1 1 . 1 1 19 19 LEU H H 19 8.094 8.094 7.459 0.635 19300
81 1 1 . 1 1 20 20 VAL N N 20 116.729 116.729 113.043 3.686 19300
82 1 1 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.519 -0.011 19300
83 1 1 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.553 -0.292 19300
84 1 1 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.540 0.363 19300
85 1 1 . 1 1 20 20 VAL H H 20 9.548 9.548 8.865 0.683 19300
86 1 1 . 1 1 21 21 CYS N N 21 123.437 123.437 126.149 -2.712 19300
87 1 1 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.437 0.166 19300
88 1 1 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.393 -2.992 19300
89 1 1 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.018 14.342 19300
90 1 1 . 1 1 21 21 CYS H H 21 8.936 8.936 8.916 0.020 19300
91 1 1 . 1 1 22 22 SER N N 22 124.898 124.898 123.863 1.035 19300
92 1 1 . 1 1 22 22 SER HA H 22 4.458 4.458 4.363 0.095 19300
93 1 1 . 1 1 22 22 SER CA C 22 57.364 57.364 57.787 -0.423 19300
94 1 1 . 1 1 22 22 SER CB C 22 63.430 63.430 63.395 0.035 19300
95 1 1 . 1 1 22 22 SER H H 22 8.349 8.349 8.126 0.223 19300
96 1 1 . 1 1 23 23 ARG N N 23 132.391 132.391 127.955 4.436 19300
97 1 1 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.081 -0.079 19300
98 1 1 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.528 0.003 19300
99 1 1 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.043 -0.442 19300
100 1 1 . 1 1 23 23 ARG H H 23 9.009 9.009 8.450 0.559 19300
101 1 1 . 1 1 24 24 ARG N N 24 117.241 117.241 117.087 0.154 19300
102 1 1 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.180 -0.256 19300
103 1 1 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.546 0.202 19300
104 1 1 . 1 1 24 24 ARG CB C 24 30.406 30.406 29.953 0.453 19300
105 1 1 . 1 1 24 24 ARG H H 24 7.945 7.945 8.026 -0.081 19300
106 1 1 . 1 1 25 25 HIS N N 25 111.143 111.143 115.042 -3.899 19300
107 1 1 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.060 0.169 19300
108 1 1 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.579 -1.628 19300
109 1 1 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.046 -2.067 19300
110 1 1 . 1 1 25 25 HIS H H 25 7.326 7.326 7.410 -0.084 19300
111 1 1 . 1 1 26 26 GLY N N 26 106.585 106.585 106.313 0.272 19300
112 1 1 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.909 1.683 19300
113 1 1 . 1 1 26 26 GLY H H 26 8.257 8.257 8.218 0.039 19300
114 1 1 . 1 1 27 27 TRP N N 27 114.076 114.076 117.011 -2.935 19300
115 1 1 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300
116 1 1 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.676 0.122 19300
117 1 1 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.725 1.091 19300
118 1 1 . 1 1 27 27 TRP H H 27 6.816 6.816 7.081 -0.265 19300
119 1 1 . 1 1 28 28 CYS N N 28 120.417 120.417 121.869 -1.452 19300
120 1 1 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.011 0.017 19300
121 1 1 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.837 -3.690 19300
122 1 1 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.547 16.039 19300
123 1 1 . 1 1 28 28 CYS H H 28 8.856 8.856 9.110 -0.254 19300
124 1 1 . 1 1 29 29 VAL N N 29 117.638 117.638 117.509 0.129 19300
125 1 1 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.928 0.000 19300
126 1 1 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.542 -0.195 19300
127 1 1 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.997 0.530 19300
128 1 1 . 1 1 29 29 VAL H H 29 9.648 9.648 8.963 0.685 19300
129 1 1 . 1 1 30 30 TRP N N 30 120.857 120.857 121.489 -0.632 19300
130 1 1 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.684 0.210 19300
131 1 1 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.605 1.589 19300
132 1 1 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.490 0.390 19300
133 1 1 . 1 1 30 30 TRP H H 30 7.875 7.875 8.755 -0.880 19300
134 1 1 . 1 1 31 31 ASP N N 31 122.575 122.575 125.353 -2.778 19300
135 1 1 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.695 -0.171 19300
136 1 1 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.506 -1.351 19300
137 1 1 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.062 -0.530 19300
138 1 1 . 1 1 31 31 ASP H H 31 8.813 8.813 8.394 0.419 19300
139 1 1 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.949 -0.217 19300
140 1 1 . 1 1 32 32 GLY H H 32 8.070 8.070 9.025 -0.955 19300
141 1 1 . 1 1 33 33 THR N N 33 113.474 113.474 115.898 -2.424 19300
142 1 1 . 1 1 33 33 THR HA H 33 4.311 4.311 4.552 -0.241 19300
143 1 1 . 1 1 33 33 THR CA C 33 62.204 62.204 62.561 -0.357 19300
144 1 1 . 1 1 33 33 THR CB C 33 70.173 70.173 70.321 -0.148 19300
145 1 1 . 1 1 33 33 THR H H 33 8.040 8.040 7.875 0.165 19300
146 1 1 . 1 1 34 34 PHE N N 34 121.941 121.941 122.953 -1.012 19300
147 1 1 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.563 0.007 19300
148 1 1 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.381 0.521 19300
149 1 1 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.016 0.658 19300
150 1 1 . 1 1 34 34 PHE H H 34 8.282 8.282 8.204 0.078 19300
151 1 2 . 1 1 2 2 CYS N N 2 120.737 120.737 119.985 0.752 19300
152 1 2 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.583 0.241 19300
153 1 2 . 1 1 2 2 CYS H H 2 8.701 8.701 8.388 0.313 19300
154 1 2 . 1 1 3 3 ARG N N 3 120.701 120.701 122.631 -1.930 19300
155 1 2 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.720 -0.342 19300
156 1 2 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.179 2.975 19300
157 1 2 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.268 -0.543 19300
158 1 2 . 1 1 3 3 ARG H H 3 8.970 8.970 8.290 0.680 19300
159 1 2 . 1 1 4 4 TYR N N 4 122.006 122.006 119.774 2.232 19300
160 1 2 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.665 -0.375 19300
161 1 2 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.280 1.056 19300
162 1 2 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.060 0.037 19300
163 1 2 . 1 1 4 4 TYR H H 4 8.190 8.190 7.998 0.192 19300
164 1 2 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.190 -0.576 19300
165 1 2 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.325 1.161 19300
166 1 2 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.971 -0.311 19300
167 1 2 . 1 1 6 6 LEU N N 6 121.148 121.148 120.791 0.357 19300
168 1 2 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.045 -0.085 19300
169 1 2 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.742 2.277 19300
170 1 2 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.069 -0.818 19300
171 1 2 . 1 1 6 6 LEU H H 6 8.701 8.701 8.588 0.113 19300
172 1 2 . 1 1 7 7 GLY N N 7 110.200 110.200 107.550 2.650 19300
173 1 2 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.298 -0.488 19300
174 1 2 . 1 1 7 7 GLY H H 7 8.947 8.947 7.966 0.981 19300
175 1 2 . 1 1 8 8 GLY N N 8 110.973 110.973 106.913 4.060 19300
176 1 2 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.440 2.162 19300
177 1 2 . 1 1 8 8 GLY H H 8 8.699 8.699 7.980 0.719 19300
178 1 2 . 1 1 9 9 CYS N N 9 117.019 117.019 117.980 -0.961 19300
179 1 2 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.666 0.546 19300
180 1 2 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.398 -2.218 19300
181 1 2 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.687 16.232 19300
182 1 2 . 1 1 9 9 CYS H H 9 8.407 8.407 8.247 0.160 19300
183 1 2 . 1 1 10 10 SER N N 10 116.524 116.524 115.098 1.426 19300
184 1 2 . 1 1 10 10 SER HA H 10 4.384 4.384 4.449 -0.065 19300
185 1 2 . 1 1 10 10 SER CA C 10 59.172 59.172 58.450 0.722 19300
186 1 2 . 1 1 10 10 SER CB C 10 63.793 63.793 64.675 -0.882 19300
187 1 2 . 1 1 10 10 SER H H 10 8.180 8.180 8.151 0.029 19300
188 1 2 . 1 1 11 11 ALA N N 11 124.635 124.635 124.222 0.413 19300
189 1 2 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.325 0.134 19300
190 1 2 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.802 -1.137 19300
191 1 2 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.621 -0.435 19300
192 1 2 . 1 1 11 11 ALA H H 11 8.648 8.648 8.458 0.190 19300
193 1 2 . 1 1 12 12 GLY N N 12 106.219 106.219 105.612 0.607 19300
194 1 2 . 1 1 12 12 GLY CA C 12 45.331 45.331 44.847 0.484 19300
195 1 2 . 1 1 12 12 GLY H H 12 8.060 8.060 7.969 0.091 19300
196 1 2 . 1 1 13 13 GLN N N 13 121.578 121.578 119.990 1.588 19300
197 1 2 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.728 -0.417 19300
198 1 2 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.141 1.013 19300
199 1 2 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.403 -2.724 19300
200 1 2 . 1 1 13 13 GLN H H 13 8.394 8.394 7.320 1.074 19300
201 1 2 . 1 1 14 14 THR N N 14 115.982 115.982 113.192 2.790 19300
202 1 2 . 1 1 14 14 THR HA H 14 4.359 4.359 4.640 -0.281 19300
203 1 2 . 1 1 14 14 THR CA C 14 61.622 61.622 61.076 0.546 19300
204 1 2 . 1 1 14 14 THR CB C 14 70.762 70.762 71.885 -1.123 19300
205 1 2 . 1 1 14 14 THR H H 14 8.310 8.310 8.317 -0.007 19300
206 1 2 . 1 1 15 15 CYS N N 15 123.244 123.244 119.864 3.380 19300
207 1 2 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.839 0.219 19300
208 1 2 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.522 -3.647 19300
209 1 2 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.022 12.191 19300
210 1 2 . 1 1 15 15 CYS H H 15 8.996 8.996 8.527 0.469 19300
211 1 2 . 1 1 16 16 CYS N N 16 121.708 121.708 122.769 -1.061 19300
212 1 2 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.302 0.252 19300
213 1 2 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.951 -6.141 19300
214 1 2 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.028 11.640 19300
215 1 2 . 1 1 16 16 CYS H H 16 9.380 9.380 8.925 0.455 19300
216 1 2 . 1 1 17 17 LYS N N 17 117.934 117.934 121.459 -3.525 19300
217 1 2 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.006 -0.025 19300
218 1 2 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.703 0.631 19300
219 1 2 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.810 -0.296 19300
220 1 2 . 1 1 17 17 LYS H H 17 7.931 7.931 8.577 -0.646 19300
221 1 2 . 1 1 18 18 HIS N N 18 112.381 112.381 113.130 -0.749 19300
222 1 2 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.363 0.017 19300
223 1 2 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.081 -2.632 19300
224 1 2 . 1 1 18 18 HIS CB C 18 26.835 26.835 28.684 -1.849 19300
225 1 2 . 1 1 18 18 HIS H H 18 8.601 8.601 8.714 -0.113 19300
226 1 2 . 1 1 19 19 LEU N N 19 119.252 119.252 117.181 2.071 19300
227 1 2 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.490 -0.191 19300
228 1 2 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.611 0.412 19300
229 1 2 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.010 -1.655 19300
230 1 2 . 1 1 19 19 LEU H H 19 8.094 8.094 7.402 0.692 19300
231 1 2 . 1 1 20 20 VAL N N 20 116.729 116.729 113.108 3.621 19300
232 1 2 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.496 0.012 19300
233 1 2 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.767 -0.505 19300
234 1 2 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.680 0.223 19300
235 1 2 . 1 1 20 20 VAL H H 20 9.548 9.548 8.779 0.769 19300
236 1 2 . 1 1 21 21 CYS N N 21 123.437 123.437 125.772 -2.335 19300
237 1 2 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.501 0.102 19300
238 1 2 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.692 -3.291 19300
239 1 2 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.085 14.275 19300
240 1 2 . 1 1 21 21 CYS H H 21 8.936 8.936 8.855 0.081 19300
241 1 2 . 1 1 22 22 SER N N 22 124.898 124.898 122.758 2.140 19300
242 1 2 . 1 1 22 22 SER HA H 22 4.458 4.458 4.365 0.093 19300
243 1 2 . 1 1 22 22 SER CA C 22 57.364 57.364 57.709 -0.345 19300
244 1 2 . 1 1 22 22 SER CB C 22 63.430 63.430 63.189 0.241 19300
245 1 2 . 1 1 22 22 SER H H 22 8.349 8.349 8.092 0.257 19300
246 1 2 . 1 1 23 23 ARG N N 23 132.391 132.391 127.634 4.757 19300
247 1 2 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.076 -0.074 19300
248 1 2 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.602 -0.071 19300
249 1 2 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.056 -0.455 19300
250 1 2 . 1 1 23 23 ARG H H 23 9.009 9.009 8.281 0.728 19300
251 1 2 . 1 1 24 24 ARG N N 24 117.241 117.241 117.349 -0.108 19300
252 1 2 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.187 -0.263 19300
253 1 2 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.451 0.297 19300
254 1 2 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.415 -0.009 19300
255 1 2 . 1 1 24 24 ARG H H 24 7.945 7.945 8.009 -0.064 19300
256 1 2 . 1 1 25 25 HIS N N 25 111.143 111.143 115.581 -4.438 19300
257 1 2 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.960 0.269 19300
258 1 2 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.955 -2.003 19300
259 1 2 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.064 -2.085 19300
260 1 2 . 1 1 25 25 HIS H H 25 7.326 7.326 7.507 -0.181 19300
261 1 2 . 1 1 26 26 GLY N N 26 106.585 106.585 106.115 0.470 19300
262 1 2 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.877 1.715 19300
263 1 2 . 1 1 26 26 GLY H H 26 8.257 8.257 8.232 0.025 19300
264 1 2 . 1 1 27 27 TRP N N 27 114.076 114.076 117.038 -2.962 19300
265 1 2 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.025 0.560 19300
266 1 2 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.661 0.137 19300
267 1 2 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.736 1.080 19300
268 1 2 . 1 1 27 27 TRP H H 27 6.816 6.816 7.058 -0.242 19300
269 1 2 . 1 1 28 28 CYS N N 28 120.417 120.417 122.072 -1.655 19300
270 1 2 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.988 0.040 19300
271 1 2 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.511 -4.364 19300
272 1 2 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.223 16.363 19300
273 1 2 . 1 1 28 28 CYS H H 28 8.856 8.856 9.163 -0.307 19300
274 1 2 . 1 1 29 29 VAL N N 29 117.638 117.638 118.390 -0.752 19300
275 1 2 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.867 0.061 19300
276 1 2 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.802 0.545 19300
277 1 2 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.489 1.038 19300
278 1 2 . 1 1 29 29 VAL H H 29 9.648 9.648 8.951 0.697 19300
279 1 2 . 1 1 30 30 TRP N N 30 120.857 120.857 122.011 -1.154 19300
280 1 2 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.699 0.195 19300
281 1 2 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.778 1.415 19300
282 1 2 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.400 0.480 19300
283 1 2 . 1 1 30 30 TRP H H 30 7.875 7.875 8.718 -0.843 19300
284 1 2 . 1 1 31 31 ASP N N 31 122.575 122.575 125.091 -2.516 19300
285 1 2 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.769 -0.245 19300
286 1 2 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.526 -1.371 19300
287 1 2 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.229 -0.697 19300
288 1 2 . 1 1 31 31 ASP H H 31 8.813 8.813 8.440 0.373 19300
289 1 2 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.939 -0.207 19300
290 1 2 . 1 1 32 32 GLY H H 32 8.070 8.070 9.069 -0.999 19300
291 1 2 . 1 1 33 33 THR N N 33 113.474 113.474 115.466 -1.992 19300
292 1 2 . 1 1 33 33 THR HA H 33 4.311 4.311 4.534 -0.223 19300
293 1 2 . 1 1 33 33 THR CA C 33 62.204 62.204 62.501 -0.297 19300
294 1 2 . 1 1 33 33 THR CB C 33 70.173 70.173 70.151 0.022 19300
295 1 2 . 1 1 33 33 THR H H 33 8.040 8.040 7.838 0.202 19300
296 1 2 . 1 1 34 34 PHE N N 34 121.941 121.941 121.712 0.229 19300
297 1 2 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.532 0.038 19300
298 1 2 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.708 0.194 19300
299 1 2 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.140 0.534 19300
300 1 2 . 1 1 34 34 PHE H H 34 8.282 8.282 8.145 0.137 19300
301 1 3 . 1 1 2 2 CYS N N 2 120.737 120.737 118.509 2.228 19300
302 1 3 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.615 0.209 19300
303 1 3 . 1 1 2 2 CYS H H 2 8.701 8.701 8.271 0.430 19300
304 1 3 . 1 1 3 3 ARG N N 3 120.701 120.701 122.575 -1.874 19300
305 1 3 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.730 -0.352 19300
306 1 3 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.184 2.970 19300
307 1 3 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.342 -0.616 19300
308 1 3 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300
309 1 3 . 1 1 4 4 TYR N N 4 122.006 122.006 119.782 2.224 19300
310 1 3 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.674 -0.384 19300
311 1 3 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.299 1.037 19300
312 1 3 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.059 0.038 19300
313 1 3 . 1 1 4 4 TYR H H 4 8.190 8.190 8.003 0.187 19300
314 1 3 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.181 -0.567 19300
315 1 3 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.314 1.172 19300
316 1 3 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.937 -0.277 19300
317 1 3 . 1 1 6 6 LEU N N 6 121.148 121.148 120.832 0.316 19300
318 1 3 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.037 -0.077 19300
319 1 3 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.740 2.279 19300
320 1 3 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.077 -0.826 19300
321 1 3 . 1 1 6 6 LEU H H 6 8.701 8.701 8.596 0.105 19300
322 1 3 . 1 1 7 7 GLY N N 7 110.200 110.200 106.601 3.599 19300
323 1 3 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.323 -0.513 19300
324 1 3 . 1 1 7 7 GLY H H 7 8.947 8.947 8.060 0.887 19300
325 1 3 . 1 1 8 8 GLY N N 8 110.973 110.973 105.746 5.227 19300
326 1 3 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.352 2.250 19300
327 1 3 . 1 1 8 8 GLY H H 8 8.699 8.699 7.861 0.838 19300
328 1 3 . 1 1 9 9 CYS N N 9 117.019 117.019 118.344 -1.325 19300
329 1 3 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.644 0.568 19300
330 1 3 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.442 -2.262 19300
331 1 3 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.855 15.064 19300
332 1 3 . 1 1 9 9 CYS H H 9 8.407 8.407 8.160 0.247 19300
333 1 3 . 1 1 10 10 SER N N 10 116.524 116.524 115.268 1.256 19300
334 1 3 . 1 1 10 10 SER HA H 10 4.384 4.384 4.467 -0.083 19300
335 1 3 . 1 1 10 10 SER CA C 10 59.172 59.172 58.077 1.095 19300
336 1 3 . 1 1 10 10 SER CB C 10 63.793 63.793 64.656 -0.863 19300
337 1 3 . 1 1 10 10 SER H H 10 8.180 8.180 8.114 0.066 19300
338 1 3 . 1 1 11 11 ALA N N 11 124.635 124.635 124.820 -0.185 19300
339 1 3 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.313 0.146 19300
340 1 3 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.998 -1.333 19300
341 1 3 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.770 -0.584 19300
342 1 3 . 1 1 11 11 ALA H H 11 8.648 8.648 8.503 0.145 19300
343 1 3 . 1 1 12 12 GLY N N 12 106.219 106.219 105.708 0.511 19300
344 1 3 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.151 0.180 19300
345 1 3 . 1 1 12 12 GLY H H 12 8.060 8.060 8.389 -0.329 19300
346 1 3 . 1 1 13 13 GLN N N 13 121.578 121.578 120.008 1.570 19300
347 1 3 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.721 -0.410 19300
348 1 3 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.212 0.942 19300
349 1 3 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.665 -2.986 19300
350 1 3 . 1 1 13 13 GLN H H 13 8.394 8.394 7.389 1.005 19300
351 1 3 . 1 1 14 14 THR N N 14 115.982 115.982 113.246 2.736 19300
352 1 3 . 1 1 14 14 THR HA H 14 4.359 4.359 4.619 -0.260 19300
353 1 3 . 1 1 14 14 THR CA C 14 61.622 61.622 61.075 0.547 19300
354 1 3 . 1 1 14 14 THR CB C 14 70.762 70.762 71.791 -1.029 19300
355 1 3 . 1 1 14 14 THR H H 14 8.310 8.310 8.294 0.016 19300
356 1 3 . 1 1 15 15 CYS N N 15 123.244 123.244 120.090 3.154 19300
357 1 3 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.878 0.180 19300
358 1 3 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.384 -3.509 19300
359 1 3 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.444 12.769 19300
360 1 3 . 1 1 15 15 CYS H H 15 8.996 8.996 8.486 0.510 19300
361 1 3 . 1 1 16 16 CYS N N 16 121.708 121.708 122.774 -1.066 19300
362 1 3 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.346 0.208 19300
363 1 3 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.991 -6.181 19300
364 1 3 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.047 11.620 19300
365 1 3 . 1 1 16 16 CYS H H 16 9.380 9.380 8.949 0.431 19300
366 1 3 . 1 1 17 17 LYS N N 17 117.934 117.934 121.516 -3.582 19300
367 1 3 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.134 -0.153 19300
368 1 3 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.855 0.479 19300
369 1 3 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.114 -0.599 19300
370 1 3 . 1 1 17 17 LYS H H 17 7.931 7.931 8.706 -0.775 19300
371 1 3 . 1 1 18 18 HIS N N 18 112.381 112.381 114.675 -2.294 19300
372 1 3 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.378 0.002 19300
373 1 3 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.461 -3.012 19300
374 1 3 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.431 -2.596 19300
375 1 3 . 1 1 18 18 HIS H H 18 8.601 8.601 8.839 -0.238 19300
376 1 3 . 1 1 19 19 LEU N N 19 119.252 119.252 116.763 2.489 19300
377 1 3 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.461 -0.162 19300
378 1 3 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.607 0.416 19300
379 1 3 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.842 -1.487 19300
380 1 3 . 1 1 19 19 LEU H H 19 8.094 8.094 7.436 0.657 19300
381 1 3 . 1 1 20 20 VAL N N 20 116.729 116.729 113.089 3.640 19300
382 1 3 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.491 0.017 19300
383 1 3 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.808 -0.547 19300
384 1 3 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.746 0.157 19300
385 1 3 . 1 1 20 20 VAL H H 20 9.548 9.548 8.733 0.815 19300
386 1 3 . 1 1 21 21 CYS N N 21 123.437 123.437 126.189 -2.752 19300
387 1 3 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.463 0.140 19300
388 1 3 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.553 -3.152 19300
389 1 3 . 1 1 21 21 CYS CB C 21 39.360 39.360 24.943 14.417 19300
390 1 3 . 1 1 21 21 CYS H H 21 8.936 8.936 8.935 0.001 19300
391 1 3 . 1 1 22 22 SER N N 22 124.898 124.898 122.906 1.992 19300
392 1 3 . 1 1 22 22 SER HA H 22 4.458 4.458 4.425 0.033 19300
393 1 3 . 1 1 22 22 SER CA C 22 57.364 57.364 57.802 -0.438 19300
394 1 3 . 1 1 22 22 SER CB C 22 63.430 63.430 63.254 0.176 19300
395 1 3 . 1 1 22 22 SER H H 22 8.349 8.349 8.150 0.199 19300
396 1 3 . 1 1 23 23 ARG N N 23 132.391 132.391 127.875 4.516 19300
397 1 3 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.095 -0.093 19300
398 1 3 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.479 0.052 19300
399 1 3 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.060 -0.459 19300
400 1 3 . 1 1 23 23 ARG H H 23 9.009 9.009 8.448 0.561 19300
401 1 3 . 1 1 24 24 ARG N N 24 117.241 117.241 116.915 0.326 19300
402 1 3 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.193 -0.269 19300
403 1 3 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.613 0.135 19300
404 1 3 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.153 0.253 19300
405 1 3 . 1 1 24 24 ARG H H 24 7.945 7.945 8.016 -0.071 19300
406 1 3 . 1 1 25 25 HIS N N 25 111.143 111.143 115.163 -4.020 19300
407 1 3 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.079 0.150 19300
408 1 3 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.582 -1.631 19300
409 1 3 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.072 -2.093 19300
410 1 3 . 1 1 25 25 HIS H H 25 7.326 7.326 7.432 -0.106 19300
411 1 3 . 1 1 26 26 GLY N N 26 106.585 106.585 106.395 0.190 19300
412 1 3 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.919 1.673 19300
413 1 3 . 1 1 26 26 GLY H H 26 8.257 8.257 8.266 -0.009 19300
414 1 3 . 1 1 27 27 TRP N N 27 114.076 114.076 117.025 -2.949 19300
415 1 3 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.031 0.554 19300
416 1 3 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.694 0.104 19300
417 1 3 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.724 1.093 19300
418 1 3 . 1 1 27 27 TRP H H 27 6.816 6.816 7.087 -0.271 19300
419 1 3 . 1 1 28 28 CYS N N 28 120.417 120.417 121.877 -1.460 19300
420 1 3 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.011 0.017 19300
421 1 3 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.830 -3.683 19300
422 1 3 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.537 16.049 19300
423 1 3 . 1 1 28 28 CYS H H 28 8.856 8.856 9.112 -0.256 19300
424 1 3 . 1 1 29 29 VAL N N 29 117.638 117.638 118.231 -0.593 19300
425 1 3 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.867 0.061 19300
426 1 3 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.381 -0.034 19300
427 1 3 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.844 0.683 19300
428 1 3 . 1 1 29 29 VAL H H 29 9.648 9.648 9.145 0.503 19300
429 1 3 . 1 1 30 30 TRP N N 30 120.857 120.857 121.637 -0.780 19300
430 1 3 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.666 0.228 19300
431 1 3 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.978 1.215 19300
432 1 3 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.822 0.058 19300
433 1 3 . 1 1 30 30 TRP H H 30 7.875 7.875 8.800 -0.925 19300
434 1 3 . 1 1 31 31 ASP N N 31 122.575 122.575 124.249 -1.674 19300
435 1 3 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.705 -0.181 19300
436 1 3 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.361 -0.206 19300
437 1 3 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.314 -0.782 19300
438 1 3 . 1 1 31 31 ASP H H 31 8.813 8.813 8.451 0.362 19300
439 1 3 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.962 -0.230 19300
440 1 3 . 1 1 32 32 GLY H H 32 8.070 8.070 9.200 -1.130 19300
441 1 3 . 1 1 33 33 THR N N 33 113.474 113.474 116.288 -2.814 19300
442 1 3 . 1 1 33 33 THR HA H 33 4.311 4.311 4.555 -0.244 19300
443 1 3 . 1 1 33 33 THR CA C 33 62.204 62.204 61.396 0.808 19300
444 1 3 . 1 1 33 33 THR CB C 33 70.173 70.173 69.849 0.324 19300
445 1 3 . 1 1 33 33 THR H H 33 8.040 8.040 7.964 0.076 19300
446 1 3 . 1 1 34 34 PHE N N 34 121.941 121.941 123.190 -1.249 19300
447 1 3 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.596 -0.026 19300
448 1 3 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.818 0.084 19300
449 1 3 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.196 0.478 19300
450 1 3 . 1 1 34 34 PHE H H 34 8.282 8.282 8.225 0.057 19300
451 1 4 . 1 1 2 2 CYS N N 2 120.737 120.737 119.033 1.704 19300
452 1 4 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.631 0.193 19300
453 1 4 . 1 1 2 2 CYS H H 2 8.701 8.701 8.364 0.337 19300
454 1 4 . 1 1 3 3 ARG N N 3 120.701 120.701 122.617 -1.916 19300
455 1 4 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.727 -0.349 19300
456 1 4 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.193 2.961 19300
457 1 4 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.312 -0.587 19300
458 1 4 . 1 1 3 3 ARG H H 3 8.970 8.970 8.308 0.662 19300
459 1 4 . 1 1 4 4 TYR N N 4 122.006 122.006 119.739 2.267 19300
460 1 4 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.668 -0.378 19300
461 1 4 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.275 1.061 19300
462 1 4 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.062 0.035 19300
463 1 4 . 1 1 4 4 TYR H H 4 8.190 8.190 7.996 0.194 19300
464 1 4 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.192 -0.578 19300
465 1 4 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.328 1.157 19300
466 1 4 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.974 -0.314 19300
467 1 4 . 1 1 6 6 LEU N N 6 121.148 121.148 120.796 0.352 19300
468 1 4 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.039 -0.079 19300
469 1 4 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.745 2.274 19300
470 1 4 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.082 -0.831 19300
471 1 4 . 1 1 6 6 LEU H H 6 8.701 8.701 8.586 0.115 19300
472 1 4 . 1 1 7 7 GLY N N 7 110.200 110.200 106.987 3.213 19300
473 1 4 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.219 -0.409 19300
474 1 4 . 1 1 7 7 GLY H H 7 8.947 8.947 7.942 1.005 19300
475 1 4 . 1 1 8 8 GLY N N 8 110.973 110.973 107.146 3.827 19300
476 1 4 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.457 2.145 19300
477 1 4 . 1 1 8 8 GLY H H 8 8.699 8.699 8.120 0.579 19300
478 1 4 . 1 1 9 9 CYS N N 9 117.019 117.019 118.526 -1.507 19300
479 1 4 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.667 0.545 19300
480 1 4 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.870 -1.690 19300
481 1 4 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.750 16.169 19300
482 1 4 . 1 1 9 9 CYS H H 9 8.407 8.407 8.160 0.247 19300
483 1 4 . 1 1 10 10 SER N N 10 116.524 116.524 115.031 1.493 19300
484 1 4 . 1 1 10 10 SER HA H 10 4.384 4.384 4.437 -0.053 19300
485 1 4 . 1 1 10 10 SER CA C 10 59.172 59.172 58.438 0.734 19300
486 1 4 . 1 1 10 10 SER CB C 10 63.793 63.793 64.515 -0.722 19300
487 1 4 . 1 1 10 10 SER H H 10 8.180 8.180 8.138 0.042 19300
488 1 4 . 1 1 11 11 ALA N N 11 124.635 124.635 123.424 1.211 19300
489 1 4 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.291 0.168 19300
490 1 4 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.911 -1.246 19300
491 1 4 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.605 -0.419 19300
492 1 4 . 1 1 11 11 ALA H H 11 8.648 8.648 8.448 0.200 19300
493 1 4 . 1 1 12 12 GLY N N 12 106.219 106.219 105.250 0.969 19300
494 1 4 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.021 0.310 19300
495 1 4 . 1 1 12 12 GLY H H 12 8.060 8.060 8.134 -0.074 19300
496 1 4 . 1 1 13 13 GLN N N 13 121.578 121.578 119.868 1.710 19300
497 1 4 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.661 -0.350 19300
498 1 4 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.213 0.941 19300
499 1 4 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.276 -2.597 19300
500 1 4 . 1 1 13 13 GLN H H 13 8.394 8.394 7.352 1.042 19300
501 1 4 . 1 1 14 14 THR N N 14 115.982 115.982 113.386 2.596 19300
502 1 4 . 1 1 14 14 THR HA H 14 4.359 4.359 4.652 -0.293 19300
503 1 4 . 1 1 14 14 THR CA C 14 61.622 61.622 61.124 0.498 19300
504 1 4 . 1 1 14 14 THR CB C 14 70.762 70.762 71.636 -0.874 19300
505 1 4 . 1 1 14 14 THR H H 14 8.310 8.310 8.293 0.017 19300
506 1 4 . 1 1 15 15 CYS N N 15 123.244 123.244 119.905 3.339 19300
507 1 4 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.860 0.198 19300
508 1 4 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.626 -3.751 19300
509 1 4 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.039 12.174 19300
510 1 4 . 1 1 15 15 CYS H H 15 8.996 8.996 8.486 0.510 19300
511 1 4 . 1 1 16 16 CYS N N 16 121.708 121.708 122.799 -1.091 19300
512 1 4 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.345 0.209 19300
513 1 4 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.001 -6.191 19300
514 1 4 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.058 11.610 19300
515 1 4 . 1 1 16 16 CYS H H 16 9.380 9.380 8.946 0.434 19300
516 1 4 . 1 1 17 17 LYS N N 17 117.934 117.934 121.578 -3.644 19300
517 1 4 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.139 -0.158 19300
518 1 4 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.869 0.465 19300
519 1 4 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.123 -0.608 19300
520 1 4 . 1 1 17 17 LYS H H 17 7.931 7.931 8.710 -0.779 19300
521 1 4 . 1 1 18 18 HIS N N 18 112.381 112.381 114.560 -2.179 19300
522 1 4 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.398 -0.018 19300
523 1 4 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.457 -3.008 19300
524 1 4 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.561 -2.725 19300
525 1 4 . 1 1 18 18 HIS H H 18 8.601 8.601 8.848 -0.247 19300
526 1 4 . 1 1 19 19 LEU N N 19 119.252 119.252 116.694 2.558 19300
527 1 4 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.491 -0.192 19300
528 1 4 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.609 0.414 19300
529 1 4 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.015 -1.660 19300
530 1 4 . 1 1 19 19 LEU H H 19 8.094 8.094 7.456 0.638 19300
531 1 4 . 1 1 20 20 VAL N N 20 116.729 116.729 112.512 4.217 19300
532 1 4 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.539 -0.031 19300
533 1 4 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.452 -0.191 19300
534 1 4 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.836 0.067 19300
535 1 4 . 1 1 20 20 VAL H H 20 9.548 9.548 8.788 0.760 19300
536 1 4 . 1 1 21 21 CYS N N 21 123.437 123.437 125.871 -2.434 19300
537 1 4 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.469 0.134 19300
538 1 4 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.452 -3.051 19300
539 1 4 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.191 14.169 19300
540 1 4 . 1 1 21 21 CYS H H 21 8.936 8.936 8.823 0.113 19300
541 1 4 . 1 1 22 22 SER N N 22 124.898 124.898 122.978 1.920 19300
542 1 4 . 1 1 22 22 SER HA H 22 4.458 4.458 4.390 0.068 19300
543 1 4 . 1 1 22 22 SER CA C 22 57.364 57.364 57.856 -0.492 19300
544 1 4 . 1 1 22 22 SER CB C 22 63.430 63.430 63.039 0.391 19300
545 1 4 . 1 1 22 22 SER H H 22 8.349 8.349 8.093 0.256 19300
546 1 4 . 1 1 23 23 ARG N N 23 132.391 132.391 127.321 5.070 19300
547 1 4 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.086 -0.084 19300
548 1 4 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.395 0.136 19300
549 1 4 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.977 -0.376 19300
550 1 4 . 1 1 23 23 ARG H H 23 9.009 9.009 8.349 0.660 19300
551 1 4 . 1 1 24 24 ARG N N 24 117.241 117.241 117.062 0.179 19300
552 1 4 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.202 -0.278 19300
553 1 4 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.464 0.284 19300
554 1 4 . 1 1 24 24 ARG CB C 24 30.406 30.406 29.954 0.452 19300
555 1 4 . 1 1 24 24 ARG H H 24 7.945 7.945 8.013 -0.068 19300
556 1 4 . 1 1 25 25 HIS N N 25 111.143 111.143 115.135 -3.992 19300
557 1 4 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.067 0.162 19300
558 1 4 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.553 -1.602 19300
559 1 4 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.057 -2.078 19300
560 1 4 . 1 1 25 25 HIS H H 25 7.326 7.326 7.421 -0.095 19300
561 1 4 . 1 1 26 26 GLY N N 26 106.585 106.585 106.327 0.258 19300
562 1 4 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.905 1.687 19300
563 1 4 . 1 1 26 26 GLY H H 26 8.257 8.257 8.225 0.032 19300
564 1 4 . 1 1 27 27 TRP N N 27 114.076 114.076 117.024 -2.948 19300
565 1 4 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.029 0.556 19300
566 1 4 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.672 0.126 19300
567 1 4 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.725 1.091 19300
568 1 4 . 1 1 27 27 TRP H H 27 6.816 6.816 7.080 -0.264 19300
569 1 4 . 1 1 28 28 CYS N N 28 120.417 120.417 121.904 -1.487 19300
570 1 4 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.009 0.019 19300
571 1 4 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.852 -3.705 19300
572 1 4 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.544 16.042 19300
573 1 4 . 1 1 28 28 CYS H H 28 8.856 8.856 9.113 -0.257 19300
574 1 4 . 1 1 29 29 VAL N N 29 117.638 117.638 117.525 0.113 19300
575 1 4 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.920 0.008 19300
576 1 4 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.548 -0.201 19300
577 1 4 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.996 0.531 19300
578 1 4 . 1 1 29 29 VAL H H 29 9.648 9.648 8.964 0.684 19300
579 1 4 . 1 1 30 30 TRP N N 30 120.857 120.857 121.487 -0.630 19300
580 1 4 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.681 0.213 19300
581 1 4 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.791 1.402 19300
582 1 4 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.552 0.328 19300
583 1 4 . 1 1 30 30 TRP H H 30 7.875 7.875 8.800 -0.925 19300
584 1 4 . 1 1 31 31 ASP N N 31 122.575 122.575 125.069 -2.494 19300
585 1 4 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.699 -0.175 19300
586 1 4 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.379 -1.224 19300
587 1 4 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.130 -0.598 19300
588 1 4 . 1 1 31 31 ASP H H 31 8.813 8.813 8.391 0.422 19300
589 1 4 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.980 -0.248 19300
590 1 4 . 1 1 32 32 GLY H H 32 8.070 8.070 9.050 -0.980 19300
591 1 4 . 1 1 33 33 THR N N 33 113.474 113.474 115.365 -1.891 19300
592 1 4 . 1 1 33 33 THR HA H 33 4.311 4.311 4.434 -0.123 19300
593 1 4 . 1 1 33 33 THR CA C 33 62.204 62.204 61.916 0.288 19300
594 1 4 . 1 1 33 33 THR CB C 33 70.173 70.173 69.916 0.257 19300
595 1 4 . 1 1 33 33 THR H H 33 8.040 8.040 7.891 0.149 19300
596 1 4 . 1 1 34 34 PHE N N 34 121.941 121.941 123.074 -1.133 19300
597 1 4 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.625 -0.055 19300
598 1 4 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.631 0.271 19300
599 1 4 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.249 0.425 19300
600 1 4 . 1 1 34 34 PHE H H 34 8.282 8.282 8.372 -0.090 19300
601 1 5 . 1 1 2 2 CYS N N 2 120.737 120.737 118.522 2.215 19300
602 1 5 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.572 0.252 19300
603 1 5 . 1 1 2 2 CYS H H 2 8.701 8.701 8.240 0.461 19300
604 1 5 . 1 1 3 3 ARG N N 3 120.701 120.701 122.568 -1.867 19300
605 1 5 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300
606 1 5 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.186 2.968 19300
607 1 5 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.332 -0.607 19300
608 1 5 . 1 1 3 3 ARG H H 3 8.970 8.970 8.308 0.662 19300
609 1 5 . 1 1 4 4 TYR N N 4 122.006 122.006 119.767 2.239 19300
610 1 5 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.680 -0.390 19300
611 1 5 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.310 1.026 19300
612 1 5 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.060 0.037 19300
613 1 5 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300
614 1 5 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300
615 1 5 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.323 1.163 19300
616 1 5 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.964 -0.304 19300
617 1 5 . 1 1 6 6 LEU N N 6 121.148 121.148 120.756 0.392 19300
618 1 5 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.044 -0.084 19300
619 1 5 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.744 2.275 19300
620 1 5 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.054 -0.804 19300
621 1 5 . 1 1 6 6 LEU H H 6 8.701 8.701 8.594 0.107 19300
622 1 5 . 1 1 7 7 GLY N N 7 110.200 110.200 106.586 3.614 19300
623 1 5 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.339 -0.529 19300
624 1 5 . 1 1 7 7 GLY H H 7 8.947 8.947 8.022 0.925 19300
625 1 5 . 1 1 8 8 GLY N N 8 110.973 110.973 105.985 4.988 19300
626 1 5 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.360 2.242 19300
627 1 5 . 1 1 8 8 GLY H H 8 8.699 8.699 7.824 0.875 19300
628 1 5 . 1 1 9 9 CYS N N 9 117.019 117.019 118.118 -1.099 19300
629 1 5 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.624 0.588 19300
630 1 5 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.318 -2.138 19300
631 1 5 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.901 15.018 19300
632 1 5 . 1 1 9 9 CYS H H 9 8.407 8.407 8.132 0.275 19300
633 1 5 . 1 1 10 10 SER N N 10 116.524 116.524 115.053 1.471 19300
634 1 5 . 1 1 10 10 SER HA H 10 4.384 4.384 4.443 -0.059 19300
635 1 5 . 1 1 10 10 SER CA C 10 59.172 59.172 58.188 0.984 19300
636 1 5 . 1 1 10 10 SER CB C 10 63.793 63.793 64.511 -0.718 19300
637 1 5 . 1 1 10 10 SER H H 10 8.180 8.180 8.181 -0.001 19300
638 1 5 . 1 1 11 11 ALA N N 11 124.635 124.635 123.489 1.146 19300
639 1 5 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.296 0.163 19300
640 1 5 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.906 -1.241 19300
641 1 5 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.644 -0.458 19300
642 1 5 . 1 1 11 11 ALA H H 11 8.648 8.648 8.477 0.171 19300
643 1 5 . 1 1 12 12 GLY N N 12 106.219 106.219 104.893 1.326 19300
644 1 5 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.207 0.124 19300
645 1 5 . 1 1 12 12 GLY H H 12 8.060 8.060 8.420 -0.360 19300
646 1 5 . 1 1 13 13 GLN N N 13 121.578 121.578 119.795 1.783 19300
647 1 5 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.755 -0.444 19300
648 1 5 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.194 0.960 19300
649 1 5 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.583 -2.904 19300
650 1 5 . 1 1 13 13 GLN H H 13 8.394 8.394 7.404 0.990 19300
651 1 5 . 1 1 14 14 THR N N 14 115.982 115.982 113.421 2.561 19300
652 1 5 . 1 1 14 14 THR HA H 14 4.359 4.359 4.627 -0.268 19300
653 1 5 . 1 1 14 14 THR CA C 14 61.622 61.622 61.114 0.508 19300
654 1 5 . 1 1 14 14 THR CB C 14 70.762 70.762 71.726 -0.964 19300
655 1 5 . 1 1 14 14 THR H H 14 8.310 8.310 8.332 -0.022 19300
656 1 5 . 1 1 15 15 CYS N N 15 123.244 123.244 119.849 3.395 19300
657 1 5 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.850 0.208 19300
658 1 5 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.528 -3.653 19300
659 1 5 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.054 12.159 19300
660 1 5 . 1 1 15 15 CYS H H 15 8.996 8.996 8.535 0.461 19300
661 1 5 . 1 1 16 16 CYS N N 16 121.708 121.708 122.810 -1.102 19300
662 1 5 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.365 0.189 19300
663 1 5 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.637 -5.827 19300
664 1 5 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.086 11.582 19300
665 1 5 . 1 1 16 16 CYS H H 16 9.380 9.380 8.935 0.445 19300
666 1 5 . 1 1 17 17 LYS N N 17 117.934 117.934 121.639 -3.705 19300
667 1 5 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.127 -0.146 19300
668 1 5 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.903 0.431 19300
669 1 5 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.161 -0.646 19300
670 1 5 . 1 1 17 17 LYS H H 17 7.931 7.931 8.703 -0.772 19300
671 1 5 . 1 1 18 18 HIS N N 18 112.381 112.381 114.548 -2.167 19300
672 1 5 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.381 -0.001 19300
673 1 5 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.366 -2.917 19300
674 1 5 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.553 -2.718 19300
675 1 5 . 1 1 18 18 HIS H H 18 8.601 8.601 8.845 -0.244 19300
676 1 5 . 1 1 19 19 LEU N N 19 119.252 119.252 117.028 2.224 19300
677 1 5 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.497 -0.198 19300
678 1 5 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.556 0.467 19300
679 1 5 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.840 -1.485 19300
680 1 5 . 1 1 19 19 LEU H H 19 8.094 8.094 7.479 0.615 19300
681 1 5 . 1 1 20 20 VAL N N 20 116.729 116.729 113.480 3.249 19300
682 1 5 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.475 0.033 19300
683 1 5 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.282 -0.021 19300
684 1 5 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.438 0.465 19300
685 1 5 . 1 1 20 20 VAL H H 20 9.548 9.548 8.717 0.831 19300
686 1 5 . 1 1 21 21 CYS N N 21 123.437 123.437 125.847 -2.410 19300
687 1 5 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.443 0.160 19300
688 1 5 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.648 -3.247 19300
689 1 5 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.130 14.230 19300
690 1 5 . 1 1 21 21 CYS H H 21 8.936 8.936 8.848 0.088 19300
691 1 5 . 1 1 22 22 SER N N 22 124.898 124.898 122.802 2.096 19300
692 1 5 . 1 1 22 22 SER HA H 22 4.458 4.458 4.430 0.028 19300
693 1 5 . 1 1 22 22 SER CA C 22 57.364 57.364 57.881 -0.517 19300
694 1 5 . 1 1 22 22 SER CB C 22 63.430 63.430 63.336 0.094 19300
695 1 5 . 1 1 22 22 SER H H 22 8.349 8.349 8.100 0.249 19300
696 1 5 . 1 1 23 23 ARG N N 23 132.391 132.391 127.707 4.684 19300
697 1 5 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.083 -0.081 19300
698 1 5 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.764 -0.233 19300
699 1 5 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.006 -0.405 19300
700 1 5 . 1 1 23 23 ARG H H 23 9.009 9.009 8.255 0.754 19300
701 1 5 . 1 1 24 24 ARG N N 24 117.241 117.241 117.639 -0.398 19300
702 1 5 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.160 -0.236 19300
703 1 5 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.582 0.166 19300
704 1 5 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.365 0.041 19300
705 1 5 . 1 1 24 24 ARG H H 24 7.945 7.945 8.018 -0.073 19300
706 1 5 . 1 1 25 25 HIS N N 25 111.143 111.143 115.617 -4.474 19300
707 1 5 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.930 0.299 19300
708 1 5 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.191 -2.240 19300
709 1 5 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.856 -1.877 19300
710 1 5 . 1 1 25 25 HIS H H 25 7.326 7.326 7.528 -0.202 19300
711 1 5 . 1 1 26 26 GLY N N 26 106.585 106.585 105.948 0.637 19300
712 1 5 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.876 1.716 19300
713 1 5 . 1 1 26 26 GLY H H 26 8.257 8.257 8.252 0.005 19300
714 1 5 . 1 1 27 27 TRP N N 27 114.076 114.076 117.042 -2.966 19300
715 1 5 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300
716 1 5 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.686 0.112 19300
717 1 5 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.739 1.077 19300
718 1 5 . 1 1 27 27 TRP H H 27 6.816 6.816 7.060 -0.244 19300
719 1 5 . 1 1 28 28 CYS N N 28 120.417 120.417 121.540 -1.123 19300
720 1 5 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.936 0.092 19300
721 1 5 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.053 -3.906 19300
722 1 5 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.404 16.182 19300
723 1 5 . 1 1 28 28 CYS H H 28 8.856 8.856 9.132 -0.276 19300
724 1 5 . 1 1 29 29 VAL N N 29 117.638 117.638 118.498 -0.860 19300
725 1 5 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.866 0.062 19300
726 1 5 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.068 0.279 19300
727 1 5 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.796 0.731 19300
728 1 5 . 1 1 29 29 VAL H H 29 9.648 9.648 9.024 0.624 19300
729 1 5 . 1 1 30 30 TRP N N 30 120.857 120.857 121.774 -0.917 19300
730 1 5 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.674 0.220 19300
731 1 5 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.292 0.901 19300
732 1 5 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.698 0.182 19300
733 1 5 . 1 1 30 30 TRP H H 30 7.875 7.875 8.750 -0.875 19300
734 1 5 . 1 1 31 31 ASP N N 31 122.575 122.575 124.055 -1.480 19300
735 1 5 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.689 -0.165 19300
736 1 5 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.485 -0.330 19300
737 1 5 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.401 -0.869 19300
738 1 5 . 1 1 31 31 ASP H H 31 8.813 8.813 8.388 0.425 19300
739 1 5 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.974 -0.242 19300
740 1 5 . 1 1 32 32 GLY H H 32 8.070 8.070 9.238 -1.168 19300
741 1 5 . 1 1 33 33 THR N N 33 113.474 113.474 116.210 -2.736 19300
742 1 5 . 1 1 33 33 THR HA H 33 4.311 4.311 4.501 -0.190 19300
743 1 5 . 1 1 33 33 THR CA C 33 62.204 62.204 61.488 0.716 19300
744 1 5 . 1 1 33 33 THR CB C 33 70.173 70.173 69.861 0.312 19300
745 1 5 . 1 1 33 33 THR H H 33 8.040 8.040 7.937 0.103 19300
746 1 5 . 1 1 34 34 PHE N N 34 121.941 121.941 121.692 0.249 19300
747 1 5 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.609 -0.039 19300
748 1 5 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.906 -0.003 19300
749 1 5 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.417 0.257 19300
750 1 5 . 1 1 34 34 PHE H H 34 8.282 8.282 8.360 -0.078 19300
751 1 6 . 1 1 2 2 CYS N N 2 120.737 120.737 118.628 2.109 19300
752 1 6 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.591 0.233 19300
753 1 6 . 1 1 2 2 CYS H H 2 8.701 8.701 8.274 0.427 19300
754 1 6 . 1 1 3 3 ARG N N 3 120.701 120.701 122.627 -1.926 19300
755 1 6 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300
756 1 6 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.194 2.960 19300
757 1 6 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.294 -0.569 19300
758 1 6 . 1 1 3 3 ARG H H 3 8.970 8.970 8.307 0.662 19300
759 1 6 . 1 1 4 4 TYR N N 4 122.006 122.006 119.769 2.237 19300
760 1 6 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.676 -0.386 19300
761 1 6 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.297 1.039 19300
762 1 6 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.061 0.036 19300
763 1 6 . 1 1 4 4 TYR H H 4 8.190 8.190 8.003 0.187 19300
764 1 6 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.189 -0.575 19300
765 1 6 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.328 1.158 19300
766 1 6 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.975 -0.315 19300
767 1 6 . 1 1 6 6 LEU N N 6 121.148 121.148 120.770 0.378 19300
768 1 6 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.045 -0.085 19300
769 1 6 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.744 2.275 19300
770 1 6 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.061 -0.810 19300
771 1 6 . 1 1 6 6 LEU H H 6 8.701 8.701 8.592 0.109 19300
772 1 6 . 1 1 7 7 GLY N N 7 110.200 110.200 107.008 3.192 19300
773 1 6 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.264 -0.454 19300
774 1 6 . 1 1 7 7 GLY H H 7 8.947 8.947 7.938 1.009 19300
775 1 6 . 1 1 8 8 GLY N N 8 110.973 110.973 107.355 3.618 19300
776 1 6 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.465 2.137 19300
777 1 6 . 1 1 8 8 GLY H H 8 8.699 8.699 8.033 0.666 19300
778 1 6 . 1 1 9 9 CYS N N 9 117.019 117.019 118.070 -1.051 19300
779 1 6 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.652 0.560 19300
780 1 6 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.555 -1.375 19300
781 1 6 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.024 15.895 19300
782 1 6 . 1 1 9 9 CYS H H 9 8.407 8.407 8.135 0.272 19300
783 1 6 . 1 1 10 10 SER N N 10 116.524 116.524 115.211 1.313 19300
784 1 6 . 1 1 10 10 SER HA H 10 4.384 4.384 4.454 -0.070 19300
785 1 6 . 1 1 10 10 SER CA C 10 59.172 59.172 58.106 1.066 19300
786 1 6 . 1 1 10 10 SER CB C 10 63.793 63.793 64.470 -0.677 19300
787 1 6 . 1 1 10 10 SER H H 10 8.180 8.180 8.107 0.073 19300
788 1 6 . 1 1 11 11 ALA N N 11 124.635 124.635 123.310 1.325 19300
789 1 6 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.293 0.166 19300
790 1 6 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.006 -1.341 19300
791 1 6 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.621 -0.435 19300
792 1 6 . 1 1 11 11 ALA H H 11 8.648 8.648 8.427 0.221 19300
793 1 6 . 1 1 12 12 GLY N N 12 106.219 106.219 105.430 0.789 19300
794 1 6 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.015 0.316 19300
795 1 6 . 1 1 12 12 GLY H H 12 8.060 8.060 8.120 -0.060 19300
796 1 6 . 1 1 13 13 GLN N N 13 121.578 121.578 119.726 1.852 19300
797 1 6 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.653 -0.342 19300
798 1 6 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.019 1.135 19300
799 1 6 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.292 -2.613 19300
800 1 6 . 1 1 13 13 GLN H H 13 8.394 8.394 7.362 1.032 19300
801 1 6 . 1 1 14 14 THR N N 14 115.982 115.982 113.408 2.574 19300
802 1 6 . 1 1 14 14 THR HA H 14 4.359 4.359 4.626 -0.267 19300
803 1 6 . 1 1 14 14 THR CA C 14 61.622 61.622 61.123 0.499 19300
804 1 6 . 1 1 14 14 THR CB C 14 70.762 70.762 71.722 -0.959 19300
805 1 6 . 1 1 14 14 THR H H 14 8.310 8.310 8.329 -0.019 19300
806 1 6 . 1 1 15 15 CYS N N 15 123.244 123.244 119.864 3.380 19300
807 1 6 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.852 0.206 19300
808 1 6 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.533 -3.658 19300
809 1 6 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.054 12.159 19300
810 1 6 . 1 1 15 15 CYS H H 15 8.996 8.996 8.537 0.459 19300
811 1 6 . 1 1 16 16 CYS N N 16 121.708 121.708 122.766 -1.058 19300
812 1 6 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.346 0.208 19300
813 1 6 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.037 -6.227 19300
814 1 6 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.049 11.619 19300
815 1 6 . 1 1 16 16 CYS H H 16 9.380 9.380 8.952 0.428 19300
816 1 6 . 1 1 17 17 LYS N N 17 117.934 117.934 121.502 -3.568 19300
817 1 6 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.148 -0.167 19300
818 1 6 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.829 0.505 19300
819 1 6 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.106 -0.591 19300
820 1 6 . 1 1 17 17 LYS H H 17 7.931 7.931 8.710 -0.779 19300
821 1 6 . 1 1 18 18 HIS N N 18 112.381 112.381 114.598 -2.217 19300
822 1 6 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.389 -0.009 19300
823 1 6 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.428 -2.979 19300
824 1 6 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.438 -2.603 19300
825 1 6 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300
826 1 6 . 1 1 19 19 LEU N N 19 119.252 119.252 116.702 2.550 19300
827 1 6 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.492 -0.193 19300
828 1 6 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.624 0.399 19300
829 1 6 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.067 -1.712 19300
830 1 6 . 1 1 19 19 LEU H H 19 8.094 8.094 7.460 0.634 19300
831 1 6 . 1 1 20 20 VAL N N 20 116.729 116.729 112.339 4.390 19300
832 1 6 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.523 -0.015 19300
833 1 6 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.477 -0.216 19300
834 1 6 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.782 0.121 19300
835 1 6 . 1 1 20 20 VAL H H 20 9.548 9.548 8.726 0.822 19300
836 1 6 . 1 1 21 21 CYS N N 21 123.437 123.437 125.556 -2.119 19300
837 1 6 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.481 0.122 19300
838 1 6 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.493 -3.092 19300
839 1 6 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.217 14.143 19300
840 1 6 . 1 1 21 21 CYS H H 21 8.936 8.936 8.859 0.077 19300
841 1 6 . 1 1 22 22 SER N N 22 124.898 124.898 122.912 1.986 19300
842 1 6 . 1 1 22 22 SER HA H 22 4.458 4.458 4.369 0.089 19300
843 1 6 . 1 1 22 22 SER CA C 22 57.364 57.364 57.568 -0.204 19300
844 1 6 . 1 1 22 22 SER CB C 22 63.430 63.430 63.090 0.340 19300
845 1 6 . 1 1 22 22 SER H H 22 8.349 8.349 8.104 0.245 19300
846 1 6 . 1 1 23 23 ARG N N 23 132.391 132.391 127.507 4.884 19300
847 1 6 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.052 -0.050 19300
848 1 6 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.669 -0.138 19300
849 1 6 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.009 -0.408 19300
850 1 6 . 1 1 23 23 ARG H H 23 9.009 9.009 8.205 0.804 19300
851 1 6 . 1 1 24 24 ARG N N 24 117.241 117.241 117.572 -0.331 19300
852 1 6 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.190 -0.266 19300
853 1 6 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.380 0.368 19300
854 1 6 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.277 0.129 19300
855 1 6 . 1 1 24 24 ARG H H 24 7.945 7.945 8.006 -0.061 19300
856 1 6 . 1 1 25 25 HIS N N 25 111.143 111.143 115.629 -4.486 19300
857 1 6 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.930 0.299 19300
858 1 6 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.071 -2.120 19300
859 1 6 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.945 -1.966 19300
860 1 6 . 1 1 25 25 HIS H H 25 7.326 7.326 7.483 -0.157 19300
861 1 6 . 1 1 26 26 GLY N N 26 106.585 106.585 105.938 0.647 19300
862 1 6 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.870 1.722 19300
863 1 6 . 1 1 26 26 GLY H H 26 8.257 8.257 8.247 0.010 19300
864 1 6 . 1 1 27 27 TRP N N 27 114.076 114.076 117.030 -2.954 19300
865 1 6 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.025 0.560 19300
866 1 6 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.680 0.118 19300
867 1 6 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.735 1.081 19300
868 1 6 . 1 1 27 27 TRP H H 27 6.816 6.816 7.049 -0.233 19300
869 1 6 . 1 1 28 28 CYS N N 28 120.417 120.417 121.960 -1.543 19300
870 1 6 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.993 0.035 19300
871 1 6 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.503 -4.356 19300
872 1 6 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.223 16.363 19300
873 1 6 . 1 1 28 28 CYS H H 28 8.856 8.856 9.165 -0.309 19300
874 1 6 . 1 1 29 29 VAL N N 29 117.638 117.638 118.344 -0.706 19300
875 1 6 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.846 0.082 19300
876 1 6 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.936 0.411 19300
877 1 6 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.553 0.974 19300
878 1 6 . 1 1 29 29 VAL H H 29 9.648 9.648 8.940 0.708 19300
879 1 6 . 1 1 30 30 TRP N N 30 120.857 120.857 122.116 -1.259 19300
880 1 6 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.695 0.199 19300
881 1 6 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.742 1.451 19300
882 1 6 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.335 0.545 19300
883 1 6 . 1 1 30 30 TRP H H 30 7.875 7.875 8.690 -0.815 19300
884 1 6 . 1 1 31 31 ASP N N 31 122.575 122.575 125.192 -2.617 19300
885 1 6 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.712 -0.188 19300
886 1 6 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.483 -1.329 19300
887 1 6 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.149 -0.617 19300
888 1 6 . 1 1 31 31 ASP H H 31 8.813 8.813 8.361 0.452 19300
889 1 6 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.987 -0.255 19300
890 1 6 . 1 1 32 32 GLY H H 32 8.070 8.070 9.025 -0.955 19300
891 1 6 . 1 1 33 33 THR N N 33 113.474 113.474 115.440 -1.966 19300
892 1 6 . 1 1 33 33 THR HA H 33 4.311 4.311 4.484 -0.173 19300
893 1 6 . 1 1 33 33 THR CA C 33 62.204 62.204 61.874 0.330 19300
894 1 6 . 1 1 33 33 THR CB C 33 70.173 70.173 70.026 0.147 19300
895 1 6 . 1 1 33 33 THR H H 33 8.040 8.040 7.968 0.072 19300
896 1 6 . 1 1 34 34 PHE N N 34 121.941 121.941 121.961 -0.020 19300
897 1 6 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.523 0.047 19300
898 1 6 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.365 -0.463 19300
899 1 6 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.253 0.421 19300
900 1 6 . 1 1 34 34 PHE H H 34 8.282 8.282 8.320 -0.038 19300
901 1 7 . 1 1 2 2 CYS N N 2 120.737 120.737 118.895 1.842 19300
902 1 7 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.615 0.208 19300
903 1 7 . 1 1 2 2 CYS H H 2 8.701 8.701 8.279 0.422 19300
904 1 7 . 1 1 3 3 ARG N N 3 120.701 120.701 122.635 -1.934 19300
905 1 7 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300
906 1 7 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.202 2.952 19300
907 1 7 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.281 -0.556 19300
908 1 7 . 1 1 3 3 ARG H H 3 8.970 8.970 8.311 0.659 19300
909 1 7 . 1 1 4 4 TYR N N 4 122.006 122.006 119.791 2.215 19300
910 1 7 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.676 -0.386 19300
911 1 7 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.286 1.050 19300
912 1 7 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.068 0.029 19300
913 1 7 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300
914 1 7 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.219 -0.605 19300
915 1 7 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.330 1.156 19300
916 1 7 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.976 -0.316 19300
917 1 7 . 1 1 6 6 LEU N N 6 121.148 121.148 119.767 1.381 19300
918 1 7 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.082 -0.122 19300
919 1 7 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.959 2.060 19300
920 1 7 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.876 -0.625 19300
921 1 7 . 1 1 6 6 LEU H H 6 8.701 8.701 8.558 0.143 19300
922 1 7 . 1 1 7 7 GLY N N 7 110.200 110.200 105.140 5.060 19300
923 1 7 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.225 -0.415 19300
924 1 7 . 1 1 7 7 GLY H H 7 8.947 8.947 7.917 1.030 19300
925 1 7 . 1 1 8 8 GLY N N 8 110.973 110.973 106.530 4.443 19300
926 1 7 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.319 2.283 19300
927 1 7 . 1 1 8 8 GLY H H 8 8.699 8.699 8.029 0.670 19300
928 1 7 . 1 1 9 9 CYS N N 9 117.019 117.019 118.403 -1.384 19300
929 1 7 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.676 0.536 19300
930 1 7 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.066 -1.886 19300
931 1 7 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.721 16.198 19300
932 1 7 . 1 1 9 9 CYS H H 9 8.407 8.407 8.216 0.191 19300
933 1 7 . 1 1 10 10 SER N N 10 116.524 116.524 115.090 1.434 19300
934 1 7 . 1 1 10 10 SER HA H 10 4.384 4.384 4.449 -0.065 19300
935 1 7 . 1 1 10 10 SER CA C 10 59.172 59.172 58.387 0.785 19300
936 1 7 . 1 1 10 10 SER CB C 10 63.793 63.793 64.694 -0.901 19300
937 1 7 . 1 1 10 10 SER H H 10 8.180 8.180 8.182 -0.002 19300
938 1 7 . 1 1 11 11 ALA N N 11 124.635 124.635 123.346 1.289 19300
939 1 7 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.290 0.169 19300
940 1 7 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.954 -1.289 19300
941 1 7 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.654 -0.468 19300
942 1 7 . 1 1 11 11 ALA H H 11 8.648 8.648 8.473 0.175 19300
943 1 7 . 1 1 12 12 GLY N N 12 106.219 106.219 105.515 0.704 19300
944 1 7 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.006 0.325 19300
945 1 7 . 1 1 12 12 GLY H H 12 8.060 8.060 8.113 -0.053 19300
946 1 7 . 1 1 13 13 GLN N N 13 121.578 121.578 119.891 1.687 19300
947 1 7 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.608 -0.297 19300
948 1 7 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.101 1.053 19300
949 1 7 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.212 -2.533 19300
950 1 7 . 1 1 13 13 GLN H H 13 8.394 8.394 7.378 1.016 19300
951 1 7 . 1 1 14 14 THR N N 14 115.982 115.982 113.388 2.594 19300
952 1 7 . 1 1 14 14 THR HA H 14 4.359 4.359 4.659 -0.300 19300
953 1 7 . 1 1 14 14 THR CA C 14 61.622 61.622 61.137 0.485 19300
954 1 7 . 1 1 14 14 THR CB C 14 70.762 70.762 71.639 -0.877 19300
955 1 7 . 1 1 14 14 THR H H 14 8.310 8.310 8.294 0.016 19300
956 1 7 . 1 1 15 15 CYS N N 15 123.244 123.244 119.922 3.322 19300
957 1 7 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.872 0.186 19300
958 1 7 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.646 -3.771 19300
959 1 7 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.038 12.175 19300
960 1 7 . 1 1 15 15 CYS H H 15 8.996 8.996 8.503 0.493 19300
961 1 7 . 1 1 16 16 CYS N N 16 121.708 121.708 122.816 -1.108 19300
962 1 7 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.312 0.242 19300
963 1 7 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.023 -6.213 19300
964 1 7 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.046 11.622 19300
965 1 7 . 1 1 16 16 CYS H H 16 9.380 9.380 8.944 0.436 19300
966 1 7 . 1 1 17 17 LYS N N 17 117.934 117.934 121.568 -3.634 19300
967 1 7 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.020 -0.039 19300
968 1 7 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.706 0.627 19300
969 1 7 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.821 -0.306 19300
970 1 7 . 1 1 17 17 LYS H H 17 7.931 7.931 8.593 -0.662 19300
971 1 7 . 1 1 18 18 HIS N N 18 112.381 112.381 113.475 -1.094 19300
972 1 7 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.375 0.005 19300
973 1 7 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.168 -2.719 19300
974 1 7 . 1 1 18 18 HIS CB C 18 26.835 26.835 28.464 -1.629 19300
975 1 7 . 1 1 18 18 HIS H H 18 8.601 8.601 8.726 -0.125 19300
976 1 7 . 1 1 19 19 LEU N N 19 119.252 119.252 117.137 2.115 19300
977 1 7 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.604 -0.305 19300
978 1 7 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.711 0.312 19300
979 1 7 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.231 -1.876 19300
980 1 7 . 1 1 19 19 LEU H H 19 8.094 8.094 7.462 0.632 19300
981 1 7 . 1 1 20 20 VAL N N 20 116.729 116.729 112.821 3.908 19300
982 1 7 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.666 -0.158 19300
983 1 7 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.625 -0.364 19300
984 1 7 . 1 1 20 20 VAL CB C 20 35.903 35.903 36.186 -0.283 19300
985 1 7 . 1 1 20 20 VAL H H 20 9.548 9.548 9.018 0.530 19300
986 1 7 . 1 1 21 21 CYS N N 21 123.437 123.437 125.619 -2.182 19300
987 1 7 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.540 0.063 19300
988 1 7 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.562 -3.161 19300
989 1 7 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.226 14.134 19300
990 1 7 . 1 1 21 21 CYS H H 21 8.936 8.936 8.922 0.014 19300
991 1 7 . 1 1 22 22 SER N N 22 124.898 124.898 123.529 1.369 19300
992 1 7 . 1 1 22 22 SER HA H 22 4.458 4.458 4.366 0.092 19300
993 1 7 . 1 1 22 22 SER CA C 22 57.364 57.364 57.381 -0.017 19300
994 1 7 . 1 1 22 22 SER CB C 22 63.430 63.430 63.586 -0.156 19300
995 1 7 . 1 1 22 22 SER H H 22 8.349 8.349 8.135 0.214 19300
996 1 7 . 1 1 23 23 ARG N N 23 132.391 132.391 127.886 4.505 19300
997 1 7 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.097 -0.095 19300
998 1 7 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.389 0.142 19300
999 1 7 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.927 -0.326 19300
1000 1 7 . 1 1 23 23 ARG H H 23 9.009 9.009 8.307 0.702 19300
1001 1 7 . 1 1 24 24 ARG N N 24 117.241 117.241 117.381 -0.140 19300
1002 1 7 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.138 -0.214 19300
1003 1 7 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.609 0.139 19300
1004 1 7 . 1 1 24 24 ARG CB C 24 30.406 30.406 29.788 0.619 19300
1005 1 7 . 1 1 24 24 ARG H H 24 7.945 7.945 8.035 -0.090 19300
1006 1 7 . 1 1 25 25 HIS N N 25 111.143 111.143 114.981 -3.838 19300
1007 1 7 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.044 0.185 19300
1008 1 7 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.557 -1.607 19300
1009 1 7 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.032 -2.053 19300
1010 1 7 . 1 1 25 25 HIS H H 25 7.326 7.326 7.376 -0.050 19300
1011 1 7 . 1 1 26 26 GLY N N 26 106.585 106.585 106.287 0.298 19300
1012 1 7 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.904 1.688 19300
1013 1 7 . 1 1 26 26 GLY H H 26 8.257 8.257 8.199 0.058 19300
1014 1 7 . 1 1 27 27 TRP N N 27 114.076 114.076 117.027 -2.951 19300
1015 1 7 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.041 0.544 19300
1016 1 7 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.695 0.103 19300
1017 1 7 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.741 1.075 19300
1018 1 7 . 1 1 27 27 TRP H H 27 6.816 6.816 7.090 -0.274 19300
1019 1 7 . 1 1 28 28 CYS N N 28 120.417 120.417 121.941 -1.524 19300
1020 1 7 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.081 -0.053 19300
1021 1 7 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.897 -3.750 19300
1022 1 7 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.581 16.005 19300
1023 1 7 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300
1024 1 7 . 1 1 29 29 VAL N N 29 117.638 117.638 117.344 0.294 19300
1025 1 7 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.911 0.017 19300
1026 1 7 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.508 -0.161 19300
1027 1 7 . 1 1 29 29 VAL CB C 29 35.527 35.527 35.239 0.288 19300
1028 1 7 . 1 1 29 29 VAL H H 29 9.648 9.648 8.943 0.705 19300
1029 1 7 . 1 1 30 30 TRP N N 30 120.857 120.857 121.635 -0.778 19300
1030 1 7 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.697 0.197 19300
1031 1 7 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.009 1.184 19300
1032 1 7 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.747 0.133 19300
1033 1 7 . 1 1 30 30 TRP H H 30 7.875 7.875 8.726 -0.851 19300
1034 1 7 . 1 1 31 31 ASP N N 31 122.575 122.575 124.392 -1.817 19300
1035 1 7 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.942 -0.418 19300
1036 1 7 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.111 -0.956 19300
1037 1 7 . 1 1 31 31 ASP CB C 31 40.532 40.532 40.890 -0.358 19300
1038 1 7 . 1 1 31 31 ASP H H 31 8.813 8.813 8.461 0.352 19300
1039 1 7 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.491 0.241 19300
1040 1 7 . 1 1 32 32 GLY H H 32 8.070 8.070 8.141 -0.071 19300
1041 1 7 . 1 1 33 33 THR N N 33 113.474 113.474 117.166 -3.692 19300
1042 1 7 . 1 1 33 33 THR HA H 33 4.311 4.311 4.470 -0.159 19300
1043 1 7 . 1 1 33 33 THR CA C 33 62.204 62.204 60.146 2.058 19300
1044 1 7 . 1 1 33 33 THR CB C 33 70.173 70.173 69.148 1.025 19300
1045 1 7 . 1 1 33 33 THR H H 33 8.040 8.040 7.827 0.213 19300
1046 1 7 . 1 1 34 34 PHE N N 34 121.941 121.941 121.534 0.407 19300
1047 1 7 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.722 -0.152 19300
1048 1 7 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.503 0.399 19300
1049 1 7 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.169 0.505 19300
1050 1 7 . 1 1 34 34 PHE H H 34 8.282 8.282 7.205 1.077 19300
1051 1 8 . 1 1 2 2 CYS N N 2 120.737 120.737 119.601 1.136 19300
1052 1 8 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.632 0.192 19300
1053 1 8 . 1 1 2 2 CYS H H 2 8.701 8.701 8.300 0.401 19300
1054 1 8 . 1 1 3 3 ARG N N 3 120.701 120.701 122.599 -1.898 19300
1055 1 8 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.727 -0.349 19300
1056 1 8 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.199 2.955 19300
1057 1 8 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.333 -0.608 19300
1058 1 8 . 1 1 3 3 ARG H H 3 8.970 8.970 8.309 0.661 19300
1059 1 8 . 1 1 4 4 TYR N N 4 122.006 122.006 119.736 2.270 19300
1060 1 8 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.671 -0.381 19300
1061 1 8 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.277 1.059 19300
1062 1 8 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.065 0.032 19300
1063 1 8 . 1 1 4 4 TYR H H 4 8.190 8.190 7.997 0.193 19300
1064 1 8 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.197 -0.583 19300
1065 1 8 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.328 1.159 19300
1066 1 8 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.978 -0.318 19300
1067 1 8 . 1 1 6 6 LEU N N 6 121.148 121.148 119.522 1.626 19300
1068 1 8 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.064 -0.104 19300
1069 1 8 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.938 2.081 19300
1070 1 8 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.869 -0.618 19300
1071 1 8 . 1 1 6 6 LEU H H 6 8.701 8.701 8.533 0.168 19300
1072 1 8 . 1 1 7 7 GLY N N 7 110.200 110.200 105.323 4.877 19300
1073 1 8 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.244 -0.434 19300
1074 1 8 . 1 1 7 7 GLY H H 7 8.947 8.947 7.891 1.056 19300
1075 1 8 . 1 1 8 8 GLY N N 8 110.973 110.973 106.962 4.011 19300
1076 1 8 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.334 2.268 19300
1077 1 8 . 1 1 8 8 GLY H H 8 8.699 8.699 7.821 0.878 19300
1078 1 8 . 1 1 9 9 CYS N N 9 117.019 117.019 117.816 -0.797 19300
1079 1 8 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.696 0.516 19300
1080 1 8 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.210 -2.030 19300
1081 1 8 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.936 15.983 19300
1082 1 8 . 1 1 9 9 CYS H H 9 8.407 8.407 8.307 0.100 19300
1083 1 8 . 1 1 10 10 SER N N 10 116.524 116.524 115.174 1.350 19300
1084 1 8 . 1 1 10 10 SER HA H 10 4.384 4.384 4.460 -0.076 19300
1085 1 8 . 1 1 10 10 SER CA C 10 59.172 59.172 58.379 0.793 19300
1086 1 8 . 1 1 10 10 SER CB C 10 63.793 63.793 64.769 -0.976 19300
1087 1 8 . 1 1 10 10 SER H H 10 8.180 8.180 8.148 0.032 19300
1088 1 8 . 1 1 11 11 ALA N N 11 124.635 124.635 123.203 1.432 19300
1089 1 8 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.292 0.167 19300
1090 1 8 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.013 -1.348 19300
1091 1 8 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.653 -0.467 19300
1092 1 8 . 1 1 11 11 ALA H H 11 8.648 8.648 8.455 0.193 19300
1093 1 8 . 1 1 12 12 GLY N N 12 106.219 106.219 105.293 0.926 19300
1094 1 8 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.025 0.306 19300
1095 1 8 . 1 1 12 12 GLY H H 12 8.060 8.060 8.137 -0.077 19300
1096 1 8 . 1 1 13 13 GLN N N 13 121.578 121.578 119.641 1.937 19300
1097 1 8 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.670 -0.359 19300
1098 1 8 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.122 1.032 19300
1099 1 8 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.409 -2.730 19300
1100 1 8 . 1 1 13 13 GLN H H 13 8.394 8.394 7.350 1.044 19300
1101 1 8 . 1 1 14 14 THR N N 14 115.982 115.982 113.395 2.587 19300
1102 1 8 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300
1103 1 8 . 1 1 14 14 THR CA C 14 61.622 61.622 61.089 0.533 19300
1104 1 8 . 1 1 14 14 THR CB C 14 70.762 70.762 71.672 -0.910 19300
1105 1 8 . 1 1 14 14 THR H H 14 8.310 8.310 8.258 0.052 19300
1106 1 8 . 1 1 15 15 CYS N N 15 123.244 123.244 120.104 3.140 19300
1107 1 8 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.883 0.175 19300
1108 1 8 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.404 -3.529 19300
1109 1 8 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.463 12.750 19300
1110 1 8 . 1 1 15 15 CYS H H 15 8.996 8.996 8.487 0.509 19300
1111 1 8 . 1 1 16 16 CYS N N 16 121.708 121.708 122.804 -1.096 19300
1112 1 8 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.346 0.208 19300
1113 1 8 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.005 -6.194 19300
1114 1 8 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.057 11.611 19300
1115 1 8 . 1 1 16 16 CYS H H 16 9.380 9.380 8.950 0.430 19300
1116 1 8 . 1 1 17 17 LYS N N 17 117.934 117.934 121.535 -3.601 19300
1117 1 8 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.142 -0.161 19300
1118 1 8 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.853 0.481 19300
1119 1 8 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.116 -0.601 19300
1120 1 8 . 1 1 17 17 LYS H H 17 7.931 7.931 8.709 -0.778 19300
1121 1 8 . 1 1 18 18 HIS N N 18 112.381 112.381 114.700 -2.319 19300
1122 1 8 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.388 -0.008 19300
1123 1 8 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.440 -2.991 19300
1124 1 8 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.431 -2.596 19300
1125 1 8 . 1 1 18 18 HIS H H 18 8.601 8.601 8.849 -0.248 19300
1126 1 8 . 1 1 19 19 LEU N N 19 119.252 119.252 116.707 2.545 19300
1127 1 8 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.463 -0.164 19300
1128 1 8 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.642 0.381 19300
1129 1 8 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.982 -1.627 19300
1130 1 8 . 1 1 19 19 LEU H H 19 8.094 8.094 7.451 0.643 19300
1131 1 8 . 1 1 20 20 VAL N N 20 116.729 116.729 112.698 4.031 19300
1132 1 8 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.536 -0.028 19300
1133 1 8 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.671 -0.410 19300
1134 1 8 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.888 0.015 19300
1135 1 8 . 1 1 20 20 VAL H H 20 9.548 9.548 8.809 0.739 19300
1136 1 8 . 1 1 21 21 CYS N N 21 123.437 123.437 125.834 -2.397 19300
1137 1 8 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.483 0.120 19300
1138 1 8 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.584 -3.183 19300
1139 1 8 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.166 14.194 19300
1140 1 8 . 1 1 21 21 CYS H H 21 8.936 8.936 8.912 0.024 19300
1141 1 8 . 1 1 22 22 SER N N 22 124.898 124.898 122.970 1.928 19300
1142 1 8 . 1 1 22 22 SER HA H 22 4.458 4.458 4.372 0.086 19300
1143 1 8 . 1 1 22 22 SER CA C 22 57.364 57.364 57.781 -0.417 19300
1144 1 8 . 1 1 22 22 SER CB C 22 63.430 63.430 63.138 0.292 19300
1145 1 8 . 1 1 22 22 SER H H 22 8.349 8.349 8.156 0.193 19300
1146 1 8 . 1 1 23 23 ARG N N 23 132.391 132.391 127.656 4.735 19300
1147 1 8 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.045 -0.043 19300
1148 1 8 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.611 -0.080 19300
1149 1 8 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.977 -0.376 19300
1150 1 8 . 1 1 23 23 ARG H H 23 9.009 9.009 8.225 0.784 19300
1151 1 8 . 1 1 24 24 ARG N N 24 117.241 117.241 117.581 -0.340 19300
1152 1 8 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.212 -0.288 19300
1153 1 8 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.201 0.547 19300
1154 1 8 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.140 0.266 19300
1155 1 8 . 1 1 24 24 ARG H H 24 7.945 7.945 7.993 -0.048 19300
1156 1 8 . 1 1 25 25 HIS N N 25 111.143 111.143 115.593 -4.450 19300
1157 1 8 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.933 0.296 19300
1158 1 8 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.039 -2.088 19300
1159 1 8 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.006 -2.027 19300
1160 1 8 . 1 1 25 25 HIS H H 25 7.326 7.326 7.464 -0.138 19300
1161 1 8 . 1 1 26 26 GLY N N 26 106.585 106.585 105.941 0.644 19300
1162 1 8 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.874 1.718 19300
1163 1 8 . 1 1 26 26 GLY H H 26 8.257 8.257 8.243 0.014 19300
1164 1 8 . 1 1 27 27 TRP N N 27 114.076 114.076 117.022 -2.946 19300
1165 1 8 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.026 0.559 19300
1166 1 8 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.680 0.118 19300
1167 1 8 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.732 1.084 19300
1168 1 8 . 1 1 27 27 TRP H H 27 6.816 6.816 7.056 -0.240 19300
1169 1 8 . 1 1 28 28 CYS N N 28 120.417 120.417 121.981 -1.564 19300
1170 1 8 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.949 0.079 19300
1171 1 8 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.935 -3.788 19300
1172 1 8 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.496 16.090 19300
1173 1 8 . 1 1 28 28 CYS H H 28 8.856 8.856 9.118 -0.262 19300
1174 1 8 . 1 1 29 29 VAL N N 29 117.638 117.638 117.660 -0.022 19300
1175 1 8 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.887 0.041 19300
1176 1 8 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.514 -0.167 19300
1177 1 8 . 1 1 29 29 VAL CB C 29 35.527 35.527 35.004 0.523 19300
1178 1 8 . 1 1 29 29 VAL H H 29 9.648 9.648 8.949 0.699 19300
1179 1 8 . 1 1 30 30 TRP N N 30 120.857 120.857 121.498 -0.641 19300
1180 1 8 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.689 0.205 19300
1181 1 8 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.669 1.524 19300
1182 1 8 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.476 0.404 19300
1183 1 8 . 1 1 30 30 TRP H H 30 7.875 7.875 8.744 -0.869 19300
1184 1 8 . 1 1 31 31 ASP N N 31 122.575 122.575 124.950 -2.375 19300
1185 1 8 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.677 -0.153 19300
1186 1 8 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.185 -1.030 19300
1187 1 8 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.229 -0.697 19300
1188 1 8 . 1 1 31 31 ASP H H 31 8.813 8.813 8.351 0.462 19300
1189 1 8 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.072 -0.340 19300
1190 1 8 . 1 1 32 32 GLY H H 32 8.070 8.070 9.101 -1.031 19300
1191 1 8 . 1 1 33 33 THR N N 33 113.474 113.474 115.634 -2.160 19300
1192 1 8 . 1 1 33 33 THR HA H 33 4.311 4.311 4.561 -0.250 19300
1193 1 8 . 1 1 33 33 THR CA C 33 62.204 62.204 62.524 -0.320 19300
1194 1 8 . 1 1 33 33 THR CB C 33 70.173 70.173 70.406 -0.233 19300
1195 1 8 . 1 1 33 33 THR H H 33 8.040 8.040 7.846 0.194 19300
1196 1 8 . 1 1 34 34 PHE N N 34 121.941 121.941 121.764 0.177 19300
1197 1 8 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.539 0.031 19300
1198 1 8 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.877 0.025 19300
1199 1 8 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.048 0.626 19300
1200 1 8 . 1 1 34 34 PHE H H 34 8.282 8.282 8.290 -0.008 19300
1201 1 9 . 1 1 2 2 CYS N N 2 120.737 120.737 118.465 2.272 19300
1202 1 9 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.596 0.228 19300
1203 1 9 . 1 1 2 2 CYS H H 2 8.701 8.701 8.286 0.415 19300
1204 1 9 . 1 1 3 3 ARG N N 3 120.701 120.701 122.534 -1.833 19300
1205 1 9 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300
1206 1 9 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.185 2.969 19300
1207 1 9 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.355 -0.630 19300
1208 1 9 . 1 1 3 3 ARG H H 3 8.970 8.970 8.311 0.659 19300
1209 1 9 . 1 1 4 4 TYR N N 4 122.006 122.006 119.764 2.242 19300
1210 1 9 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.681 -0.391 19300
1211 1 9 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.311 1.025 19300
1212 1 9 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.059 0.038 19300
1213 1 9 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300
1214 1 9 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300
1215 1 9 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.326 1.160 19300
1216 1 9 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.963 -0.303 19300
1217 1 9 . 1 1 6 6 LEU N N 6 121.148 121.148 120.751 0.397 19300
1218 1 9 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.044 -0.084 19300
1219 1 9 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.744 2.275 19300
1220 1 9 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.059 -0.808 19300
1221 1 9 . 1 1 6 6 LEU H H 6 8.701 8.701 8.590 0.111 19300
1222 1 9 . 1 1 7 7 GLY N N 7 110.200 110.200 107.561 2.639 19300
1223 1 9 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.307 -0.497 19300
1224 1 9 . 1 1 7 7 GLY H H 7 8.947 8.947 7.965 0.982 19300
1225 1 9 . 1 1 8 8 GLY N N 8 110.973 110.973 107.248 3.725 19300
1226 1 9 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.343 2.259 19300
1227 1 9 . 1 1 8 8 GLY H H 8 8.699 8.699 7.987 0.712 19300
1228 1 9 . 1 1 9 9 CYS N N 9 117.019 117.019 118.144 -1.125 19300
1229 1 9 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.706 0.506 19300
1230 1 9 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.481 -2.301 19300
1231 1 9 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.514 16.405 19300
1232 1 9 . 1 1 9 9 CYS H H 9 8.407 8.407 8.309 0.098 19300
1233 1 9 . 1 1 10 10 SER N N 10 116.524 116.524 115.100 1.424 19300
1234 1 9 . 1 1 10 10 SER HA H 10 4.384 4.384 4.448 -0.064 19300
1235 1 9 . 1 1 10 10 SER CA C 10 59.172 59.172 58.059 1.113 19300
1236 1 9 . 1 1 10 10 SER CB C 10 63.793 63.793 64.660 -0.867 19300
1237 1 9 . 1 1 10 10 SER H H 10 8.180 8.180 8.199 -0.019 19300
1238 1 9 . 1 1 11 11 ALA N N 11 124.635 124.635 123.442 1.193 19300
1239 1 9 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.292 0.167 19300
1240 1 9 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.967 -1.302 19300
1241 1 9 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.690 -0.504 19300
1242 1 9 . 1 1 11 11 ALA H H 11 8.648 8.648 8.494 0.154 19300
1243 1 9 . 1 1 12 12 GLY N N 12 106.219 106.219 105.333 0.886 19300
1244 1 9 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.027 0.304 19300
1245 1 9 . 1 1 12 12 GLY H H 12 8.060 8.060 8.128 -0.068 19300
1246 1 9 . 1 1 13 13 GLN N N 13 121.578 121.578 119.631 1.947 19300
1247 1 9 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.658 -0.347 19300
1248 1 9 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.112 1.042 19300
1249 1 9 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.390 -2.711 19300
1250 1 9 . 1 1 13 13 GLN H H 13 8.394 8.394 7.409 0.985 19300
1251 1 9 . 1 1 14 14 THR N N 14 115.982 115.982 113.404 2.578 19300
1252 1 9 . 1 1 14 14 THR HA H 14 4.359 4.359 4.593 -0.234 19300
1253 1 9 . 1 1 14 14 THR CA C 14 61.622 61.622 61.072 0.550 19300
1254 1 9 . 1 1 14 14 THR CB C 14 70.762 70.762 71.680 -0.918 19300
1255 1 9 . 1 1 14 14 THR H H 14 8.310 8.310 8.263 0.047 19300
1256 1 9 . 1 1 15 15 CYS N N 15 123.244 123.244 120.082 3.162 19300
1257 1 9 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.877 0.181 19300
1258 1 9 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.372 -3.497 19300
1259 1 9 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.485 12.728 19300
1260 1 9 . 1 1 15 15 CYS H H 15 8.996 8.996 8.480 0.516 19300
1261 1 9 . 1 1 16 16 CYS N N 16 121.708 121.708 122.776 -1.068 19300
1262 1 9 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.360 0.194 19300
1263 1 9 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.760 -5.950 19300
1264 1 9 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.073 11.595 19300
1265 1 9 . 1 1 16 16 CYS H H 16 9.380 9.380 8.941 0.439 19300
1266 1 9 . 1 1 17 17 LYS N N 17 117.934 117.934 121.513 -3.579 19300
1267 1 9 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.129 -0.148 19300
1268 1 9 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.908 0.426 19300
1269 1 9 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.132 -0.617 19300
1270 1 9 . 1 1 17 17 LYS H H 17 7.931 7.931 8.702 -0.771 19300
1271 1 9 . 1 1 18 18 HIS N N 18 112.381 112.381 114.475 -2.094 19300
1272 1 9 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.378 0.002 19300
1273 1 9 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.342 -2.893 19300
1274 1 9 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.603 -2.768 19300
1275 1 9 . 1 1 18 18 HIS H H 18 8.601 8.601 8.845 -0.244 19300
1276 1 9 . 1 1 19 19 LEU N N 19 119.252 119.252 116.712 2.540 19300
1277 1 9 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.496 -0.197 19300
1278 1 9 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.574 0.449 19300
1279 1 9 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.085 -1.730 19300
1280 1 9 . 1 1 19 19 LEU H H 19 8.094 8.094 7.448 0.646 19300
1281 1 9 . 1 1 20 20 VAL N N 20 116.729 116.729 112.309 4.420 19300
1282 1 9 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.501 0.007 19300
1283 1 9 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.469 -0.208 19300
1284 1 9 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.659 0.244 19300
1285 1 9 . 1 1 20 20 VAL H H 20 9.548 9.548 8.701 0.847 19300
1286 1 9 . 1 1 21 21 CYS N N 21 123.437 123.437 125.918 -2.481 19300
1287 1 9 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.455 0.148 19300
1288 1 9 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.471 -3.070 19300
1289 1 9 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.215 14.145 19300
1290 1 9 . 1 1 21 21 CYS H H 21 8.936 8.936 8.827 0.109 19300
1291 1 9 . 1 1 22 22 SER N N 22 124.898 124.898 124.455 0.443 19300
1292 1 9 . 1 1 22 22 SER HA H 22 4.458 4.458 4.447 0.011 19300
1293 1 9 . 1 1 22 22 SER CA C 22 57.364 57.364 57.552 -0.188 19300
1294 1 9 . 1 1 22 22 SER CB C 22 63.430 63.430 63.039 0.391 19300
1295 1 9 . 1 1 22 22 SER H H 22 8.349 8.349 8.133 0.216 19300
1296 1 9 . 1 1 23 23 ARG N N 23 132.391 132.391 127.306 5.085 19300
1297 1 9 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.056 -0.054 19300
1298 1 9 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.677 -0.146 19300
1299 1 9 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.976 -0.375 19300
1300 1 9 . 1 1 23 23 ARG H H 23 9.009 9.009 8.275 0.734 19300
1301 1 9 . 1 1 24 24 ARG N N 24 117.241 117.241 117.450 -0.209 19300
1302 1 9 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.203 -0.279 19300
1303 1 9 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.427 0.321 19300
1304 1 9 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.377 0.029 19300
1305 1 9 . 1 1 24 24 ARG H H 24 7.945 7.945 7.989 -0.044 19300
1306 1 9 . 1 1 25 25 HIS N N 25 111.143 111.143 115.607 -4.464 19300
1307 1 9 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.936 0.293 19300
1308 1 9 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.117 -2.166 19300
1309 1 9 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.916 -1.937 19300
1310 1 9 . 1 1 25 25 HIS H H 25 7.326 7.326 7.509 -0.183 19300
1311 1 9 . 1 1 26 26 GLY N N 26 106.585 106.585 105.967 0.618 19300
1312 1 9 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.877 1.716 19300
1313 1 9 . 1 1 26 26 GLY H H 26 8.257 8.257 8.252 0.005 19300
1314 1 9 . 1 1 27 27 TRP N N 27 114.076 114.076 117.040 -2.964 19300
1315 1 9 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300
1316 1 9 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.688 0.110 19300
1317 1 9 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.738 1.078 19300
1318 1 9 . 1 1 27 27 TRP H H 27 6.816 6.816 7.060 -0.244 19300
1319 1 9 . 1 1 28 28 CYS N N 28 120.417 120.417 122.109 -1.692 19300
1320 1 9 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.990 0.038 19300
1321 1 9 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.923 -3.776 19300
1322 1 9 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.452 16.134 19300
1323 1 9 . 1 1 28 28 CYS H H 28 8.856 8.856 9.115 -0.259 19300
1324 1 9 . 1 1 29 29 VAL N N 29 117.638 117.638 118.430 -0.792 19300
1325 1 9 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.830 0.098 19300
1326 1 9 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.279 0.068 19300
1327 1 9 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.801 0.726 19300
1328 1 9 . 1 1 29 29 VAL H H 29 9.648 9.648 9.150 0.497 19300
1329 1 9 . 1 1 30 30 TRP N N 30 120.857 120.857 121.520 -0.663 19300
1330 1 9 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.658 0.236 19300
1331 1 9 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.925 1.268 19300
1332 1 9 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.800 0.080 19300
1333 1 9 . 1 1 30 30 TRP H H 30 7.875 7.875 8.772 -0.897 19300
1334 1 9 . 1 1 31 31 ASP N N 31 122.575 122.575 124.111 -1.536 19300
1335 1 9 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.689 -0.165 19300
1336 1 9 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.343 -0.188 19300
1337 1 9 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.300 -0.767 19300
1338 1 9 . 1 1 31 31 ASP H H 31 8.813 8.813 8.385 0.428 19300
1339 1 9 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.782 -0.050 19300
1340 1 9 . 1 1 32 32 GLY H H 32 8.070 8.070 9.202 -1.132 19300
1341 1 9 . 1 1 33 33 THR N N 33 113.474 113.474 116.015 -2.541 19300
1342 1 9 . 1 1 33 33 THR HA H 33 4.311 4.311 4.530 -0.219 19300
1343 1 9 . 1 1 33 33 THR CA C 33 62.204 62.204 61.428 0.776 19300
1344 1 9 . 1 1 33 33 THR CB C 33 70.173 70.173 69.657 0.516 19300
1345 1 9 . 1 1 33 33 THR H H 33 8.040 8.040 7.921 0.119 19300
1346 1 9 . 1 1 34 34 PHE N N 34 121.941 121.941 121.938 0.003 19300
1347 1 9 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.605 -0.035 19300
1348 1 9 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.135 -0.233 19300
1349 1 9 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.413 0.261 19300
1350 1 9 . 1 1 34 34 PHE H H 34 8.282 8.282 8.327 -0.045 19300
1351 1 10 . 1 1 2 2 CYS N N 2 120.737 120.737 118.923 1.814 19300
1352 1 10 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.600 0.224 19300
1353 1 10 . 1 1 2 2 CYS H H 2 8.701 8.701 8.305 0.396 19300
1354 1 10 . 1 1 3 3 ARG N N 3 120.701 120.701 122.612 -1.911 19300
1355 1 10 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300
1356 1 10 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.195 2.959 19300
1357 1 10 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.306 -0.581 19300
1358 1 10 . 1 1 3 3 ARG H H 3 8.970 8.970 8.309 0.661 19300
1359 1 10 . 1 1 4 4 TYR N N 4 122.006 122.006 119.754 2.252 19300
1360 1 10 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.676 -0.386 19300
1361 1 10 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.290 1.046 19300
1362 1 10 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.063 0.034 19300
1363 1 10 . 1 1 4 4 TYR H H 4 8.190 8.190 8.002 0.188 19300
1364 1 10 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.191 -0.577 19300
1365 1 10 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.324 1.162 19300
1366 1 10 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.974 -0.314 19300
1367 1 10 . 1 1 6 6 LEU N N 6 121.148 121.148 119.788 1.360 19300
1368 1 10 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.071 -0.111 19300
1369 1 10 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.947 2.072 19300
1370 1 10 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.856 -0.605 19300
1371 1 10 . 1 1 6 6 LEU H H 6 8.701 8.701 8.516 0.185 19300
1372 1 10 . 1 1 7 7 GLY N N 7 110.200 110.200 104.957 5.243 19300
1373 1 10 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.217 -0.407 19300
1374 1 10 . 1 1 7 7 GLY H H 7 8.947 8.947 7.874 1.073 19300
1375 1 10 . 1 1 8 8 GLY N N 8 110.973 110.973 106.449 4.524 19300
1376 1 10 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.357 2.245 19300
1377 1 10 . 1 1 8 8 GLY H H 8 8.699 8.699 8.007 0.692 19300
1378 1 10 . 1 1 9 9 CYS N N 9 117.019 117.019 118.254 -1.235 19300
1379 1 10 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.666 0.546 19300
1380 1 10 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.017 -1.837 19300
1381 1 10 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.636 16.283 19300
1382 1 10 . 1 1 9 9 CYS H H 9 8.407 8.407 8.171 0.236 19300
1383 1 10 . 1 1 10 10 SER N N 10 116.524 116.524 114.906 1.618 19300
1384 1 10 . 1 1 10 10 SER HA H 10 4.384 4.384 4.453 -0.069 19300
1385 1 10 . 1 1 10 10 SER CA C 10 59.172 59.172 58.159 1.013 19300
1386 1 10 . 1 1 10 10 SER CB C 10 63.793 63.793 64.785 -0.992 19300
1387 1 10 . 1 1 10 10 SER H H 10 8.180 8.180 8.177 0.003 19300
1388 1 10 . 1 1 11 11 ALA N N 11 124.635 124.635 123.425 1.210 19300
1389 1 10 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.291 0.168 19300
1390 1 10 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.043 -1.378 19300
1391 1 10 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.682 -0.496 19300
1392 1 10 . 1 1 11 11 ALA H H 11 8.648 8.648 8.507 0.141 19300
1393 1 10 . 1 1 12 12 GLY N N 12 106.219 106.219 104.873 1.346 19300
1394 1 10 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.206 0.125 19300
1395 1 10 . 1 1 12 12 GLY H H 12 8.060 8.060 8.429 -0.369 19300
1396 1 10 . 1 1 13 13 GLN N N 13 121.578 121.578 119.750 1.828 19300
1397 1 10 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.706 -0.395 19300
1398 1 10 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.244 0.910 19300
1399 1 10 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.717 -3.038 19300
1400 1 10 . 1 1 13 13 GLN H H 13 8.394 8.394 7.358 1.036 19300
1401 1 10 . 1 1 14 14 THR N N 14 115.982 115.982 113.383 2.599 19300
1402 1 10 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300
1403 1 10 . 1 1 14 14 THR CA C 14 61.622 61.622 61.075 0.547 19300
1404 1 10 . 1 1 14 14 THR CB C 14 70.762 70.762 71.683 -0.921 19300
1405 1 10 . 1 1 14 14 THR H H 14 8.310 8.310 8.261 0.049 19300
1406 1 10 . 1 1 15 15 CYS N N 15 123.244 123.244 120.106 3.138 19300
1407 1 10 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.883 0.175 19300
1408 1 10 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.388 -3.513 19300
1409 1 10 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.487 12.726 19300
1410 1 10 . 1 1 15 15 CYS H H 15 8.996 8.996 8.482 0.514 19300
1411 1 10 . 1 1 16 16 CYS N N 16 121.708 121.708 122.797 -1.089 19300
1412 1 10 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.360 0.194 19300
1413 1 10 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.834 -6.024 19300
1414 1 10 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.089 11.579 19300
1415 1 10 . 1 1 16 16 CYS H H 16 9.380 9.380 8.943 0.437 19300
1416 1 10 . 1 1 17 17 LYS N N 17 117.934 117.934 121.594 -3.660 19300
1417 1 10 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.136 -0.155 19300
1418 1 10 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.906 0.428 19300
1419 1 10 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.150 -0.635 19300
1420 1 10 . 1 1 17 17 LYS H H 17 7.931 7.931 8.708 -0.777 19300
1421 1 10 . 1 1 18 18 HIS N N 18 112.381 112.381 114.890 -2.509 19300
1422 1 10 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.392 -0.012 19300
1423 1 10 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.384 -2.935 19300
1424 1 10 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.491 -2.656 19300
1425 1 10 . 1 1 18 18 HIS H H 18 8.601 8.601 8.858 -0.257 19300
1426 1 10 . 1 1 19 19 LEU N N 19 119.252 119.252 116.678 2.574 19300
1427 1 10 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.497 -0.198 19300
1428 1 10 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.609 0.414 19300
1429 1 10 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.076 -1.721 19300
1430 1 10 . 1 1 19 19 LEU H H 19 8.094 8.094 7.461 0.633 19300
1431 1 10 . 1 1 20 20 VAL N N 20 116.729 116.729 112.317 4.412 19300
1432 1 10 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.525 -0.017 19300
1433 1 10 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.494 -0.233 19300
1434 1 10 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.786 0.117 19300
1435 1 10 . 1 1 20 20 VAL H H 20 9.548 9.548 8.808 0.740 19300
1436 1 10 . 1 1 21 21 CYS N N 21 123.437 123.437 125.597 -2.160 19300
1437 1 10 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.477 0.126 19300
1438 1 10 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.487 -3.087 19300
1439 1 10 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.151 14.209 19300
1440 1 10 . 1 1 21 21 CYS H H 21 8.936 8.936 8.887 0.049 19300
1441 1 10 . 1 1 22 22 SER N N 22 124.898 124.898 122.755 2.143 19300
1442 1 10 . 1 1 22 22 SER HA H 22 4.458 4.458 4.359 0.099 19300
1443 1 10 . 1 1 22 22 SER CA C 22 57.364 57.364 57.937 -0.573 19300
1444 1 10 . 1 1 22 22 SER CB C 22 63.430 63.430 63.220 0.210 19300
1445 1 10 . 1 1 22 22 SER H H 22 8.349 8.349 8.127 0.222 19300
1446 1 10 . 1 1 23 23 ARG N N 23 132.391 132.391 127.767 4.624 19300
1447 1 10 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.066 -0.064 19300
1448 1 10 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.574 -0.043 19300
1449 1 10 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.023 -0.422 19300
1450 1 10 . 1 1 23 23 ARG H H 23 9.009 9.009 8.311 0.698 19300
1451 1 10 . 1 1 24 24 ARG N N 24 117.241 117.241 117.397 -0.156 19300
1452 1 10 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.183 -0.259 19300
1453 1 10 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.477 0.271 19300
1454 1 10 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.413 -0.007 19300
1455 1 10 . 1 1 24 24 ARG H H 24 7.945 7.945 8.008 -0.063 19300
1456 1 10 . 1 1 25 25 HIS N N 25 111.143 111.143 115.443 -4.300 19300
1457 1 10 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.952 0.277 19300
1458 1 10 . 1 1 25 25 HIS CA C 25 54.951 54.951 57.054 -2.103 19300
1459 1 10 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.010 -2.031 19300
1460 1 10 . 1 1 25 25 HIS H H 25 7.326 7.326 7.491 -0.165 19300
1461 1 10 . 1 1 26 26 GLY N N 26 106.585 106.585 106.090 0.495 19300
1462 1 10 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.881 1.711 19300
1463 1 10 . 1 1 26 26 GLY H H 26 8.257 8.257 8.217 0.040 19300
1464 1 10 . 1 1 27 27 TRP N N 27 114.076 114.076 117.030 -2.954 19300
1465 1 10 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.026 0.559 19300
1466 1 10 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.669 0.129 19300
1467 1 10 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.737 1.079 19300
1468 1 10 . 1 1 27 27 TRP H H 27 6.816 6.816 7.060 -0.244 19300
1469 1 10 . 1 1 28 28 CYS N N 28 120.417 120.417 122.034 -1.617 19300
1470 1 10 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.976 0.052 19300
1471 1 10 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.884 -3.737 19300
1472 1 10 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.485 16.101 19300
1473 1 10 . 1 1 28 28 CYS H H 28 8.856 8.856 9.106 -0.250 19300
1474 1 10 . 1 1 29 29 VAL N N 29 117.638 117.638 117.495 0.143 19300
1475 1 10 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.897 0.031 19300
1476 1 10 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.516 -0.169 19300
1477 1 10 . 1 1 29 29 VAL CB C 29 35.527 35.527 35.016 0.511 19300
1478 1 10 . 1 1 29 29 VAL H H 29 9.648 9.648 8.964 0.684 19300
1479 1 10 . 1 1 30 30 TRP N N 30 120.857 120.857 121.468 -0.611 19300
1480 1 10 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.686 0.208 19300
1481 1 10 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.677 1.516 19300
1482 1 10 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.441 0.439 19300
1483 1 10 . 1 1 30 30 TRP H H 30 7.875 7.875 8.770 -0.895 19300
1484 1 10 . 1 1 31 31 ASP N N 31 122.575 122.575 125.187 -2.612 19300
1485 1 10 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.713 -0.189 19300
1486 1 10 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.499 -1.344 19300
1487 1 10 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.159 -0.627 19300
1488 1 10 . 1 1 31 31 ASP H H 31 8.813 8.813 8.341 0.472 19300
1489 1 10 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.986 -0.254 19300
1490 1 10 . 1 1 32 32 GLY H H 32 8.070 8.070 9.026 -0.956 19300
1491 1 10 . 1 1 33 33 THR N N 33 113.474 113.474 115.412 -1.938 19300
1492 1 10 . 1 1 33 33 THR HA H 33 4.311 4.311 4.486 -0.175 19300
1493 1 10 . 1 1 33 33 THR CA C 33 62.204 62.204 61.873 0.331 19300
1494 1 10 . 1 1 33 33 THR CB C 33 70.173 70.173 70.037 0.136 19300
1495 1 10 . 1 1 33 33 THR H H 33 8.040 8.040 7.973 0.067 19300
1496 1 10 . 1 1 34 34 PHE N N 34 121.941 121.941 122.698 -0.757 19300
1497 1 10 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.558 0.012 19300
1498 1 10 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.625 0.277 19300
1499 1 10 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.137 0.537 19300
1500 1 10 . 1 1 34 34 PHE H H 34 8.282 8.282 8.333 -0.051 19300
1501 1 11 . 1 1 2 2 CYS N N 2 120.737 120.737 119.124 1.613 19300
1502 1 11 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.606 0.218 19300
1503 1 11 . 1 1 2 2 CYS H H 2 8.701 8.701 8.306 0.395 19300
1504 1 11 . 1 1 3 3 ARG N N 3 120.701 120.701 122.552 -1.851 19300
1505 1 11 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300
1506 1 11 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.191 2.963 19300
1507 1 11 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.360 -0.635 19300
1508 1 11 . 1 1 3 3 ARG H H 3 8.970 8.970 8.304 0.666 19300
1509 1 11 . 1 1 4 4 TYR N N 4 122.006 122.006 119.730 2.276 19300
1510 1 11 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.685 -0.395 19300
1511 1 11 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.283 1.052 19300
1512 1 11 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.077 0.020 19300
1513 1 11 . 1 1 4 4 TYR H H 4 8.190 8.190 8.005 0.185 19300
1514 1 11 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300
1515 1 11 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.317 1.169 19300
1516 1 11 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.948 -0.288 19300
1517 1 11 . 1 1 6 6 LEU N N 6 121.148 121.148 119.972 1.176 19300
1518 1 11 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.068 -0.108 19300
1519 1 11 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.960 2.059 19300
1520 1 11 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.850 -0.599 19300
1521 1 11 . 1 1 6 6 LEU H H 6 8.701 8.701 8.504 0.197 19300
1522 1 11 . 1 1 7 7 GLY N N 7 110.200 110.200 105.470 4.730 19300
1523 1 11 . 1 1 7 7 GLY CA C 7 44.810 44.810 44.996 -0.186 19300
1524 1 11 . 1 1 7 7 GLY H H 7 8.947 8.947 7.793 1.154 19300
1525 1 11 . 1 1 8 8 GLY N N 8 110.973 110.973 108.073 2.900 19300
1526 1 11 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.231 2.371 19300
1527 1 11 . 1 1 8 8 GLY H H 8 8.699 8.699 8.034 0.665 19300
1528 1 11 . 1 1 9 9 CYS N N 9 117.019 117.019 118.274 -1.255 19300
1529 1 11 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.704 0.508 19300
1530 1 11 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.651 -2.471 19300
1531 1 11 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.689 16.230 19300
1532 1 11 . 1 1 9 9 CYS H H 9 8.407 8.407 8.334 0.073 19300
1533 1 11 . 1 1 10 10 SER N N 10 116.524 116.524 115.067 1.457 19300
1534 1 11 . 1 1 10 10 SER HA H 10 4.384 4.384 4.450 -0.066 19300
1535 1 11 . 1 1 10 10 SER CA C 10 59.172 59.172 58.424 0.748 19300
1536 1 11 . 1 1 10 10 SER CB C 10 63.793 63.793 64.606 -0.813 19300
1537 1 11 . 1 1 10 10 SER H H 10 8.180 8.180 8.156 0.024 19300
1538 1 11 . 1 1 11 11 ALA N N 11 124.635 124.635 123.364 1.271 19300
1539 1 11 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.294 0.165 19300
1540 1 11 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.958 -1.292 19300
1541 1 11 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.640 -0.454 19300
1542 1 11 . 1 1 11 11 ALA H H 11 8.648 8.648 8.466 0.182 19300
1543 1 11 . 1 1 12 12 GLY N N 12 106.219 106.219 104.890 1.329 19300
1544 1 11 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.205 0.126 19300
1545 1 11 . 1 1 12 12 GLY H H 12 8.060 8.060 8.428 -0.368 19300
1546 1 11 . 1 1 13 13 GLN N N 13 121.578 121.578 120.030 1.548 19300
1547 1 11 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.711 -0.400 19300
1548 1 11 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.163 0.990 19300
1549 1 11 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.453 -2.774 19300
1550 1 11 . 1 1 13 13 GLN H H 13 8.394 8.394 7.355 1.039 19300
1551 1 11 . 1 1 14 14 THR N N 14 115.982 115.982 113.412 2.570 19300
1552 1 11 . 1 1 14 14 THR HA H 14 4.359 4.359 4.653 -0.294 19300
1553 1 11 . 1 1 14 14 THR CA C 14 61.622 61.622 61.105 0.517 19300
1554 1 11 . 1 1 14 14 THR CB C 14 70.762 70.762 71.655 -0.893 19300
1555 1 11 . 1 1 14 14 THR H H 14 8.310 8.310 8.306 0.004 19300
1556 1 11 . 1 1 15 15 CYS N N 15 123.244 123.244 119.935 3.309 19300
1557 1 11 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.860 0.198 19300
1558 1 11 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.611 -3.736 19300
1559 1 11 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.054 12.159 19300
1560 1 11 . 1 1 15 15 CYS H H 15 8.996 8.996 8.481 0.515 19300
1561 1 11 . 1 1 16 16 CYS N N 16 121.708 121.708 122.718 -1.010 19300
1562 1 11 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.403 0.151 19300
1563 1 11 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.413 -6.603 19300
1564 1 11 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.393 11.274 19300
1565 1 11 . 1 1 16 16 CYS H H 16 9.380 9.380 8.824 0.556 19300
1566 1 11 . 1 1 17 17 LYS N N 17 117.934 117.934 121.579 -3.645 19300
1567 1 11 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.123 -0.142 19300
1568 1 11 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.909 0.425 19300
1569 1 11 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.149 -0.634 19300
1570 1 11 . 1 1 17 17 LYS H H 17 7.931 7.931 8.701 -0.770 19300
1571 1 11 . 1 1 18 18 HIS N N 18 112.381 112.381 114.855 -2.474 19300
1572 1 11 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.379 0.001 19300
1573 1 11 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.367 -2.918 19300
1574 1 11 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.588 -2.753 19300
1575 1 11 . 1 1 18 18 HIS H H 18 8.601 8.601 8.856 -0.255 19300
1576 1 11 . 1 1 19 19 LEU N N 19 119.252 119.252 116.965 2.287 19300
1577 1 11 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.520 -0.221 19300
1578 1 11 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.539 0.484 19300
1579 1 11 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.917 -1.562 19300
1580 1 11 . 1 1 19 19 LEU H H 19 8.094 8.094 7.481 0.613 19300
1581 1 11 . 1 1 20 20 VAL N N 20 116.729 116.729 113.182 3.547 19300
1582 1 11 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.474 0.034 19300
1583 1 11 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.475 -0.214 19300
1584 1 11 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.491 0.412 19300
1585 1 11 . 1 1 20 20 VAL H H 20 9.548 9.548 8.780 0.768 19300
1586 1 11 . 1 1 21 21 CYS N N 21 123.437 123.437 126.252 -2.815 19300
1587 1 11 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.414 0.189 19300
1588 1 11 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.541 -3.140 19300
1589 1 11 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.062 14.298 19300
1590 1 11 . 1 1 21 21 CYS H H 21 8.936 8.936 8.873 0.063 19300
1591 1 11 . 1 1 22 22 SER N N 22 124.898 124.898 122.923 1.975 19300
1592 1 11 . 1 1 22 22 SER HA H 22 4.458 4.458 4.437 0.021 19300
1593 1 11 . 1 1 22 22 SER CA C 22 57.364 57.364 57.813 -0.449 19300
1594 1 11 . 1 1 22 22 SER CB C 22 63.430 63.430 63.223 0.207 19300
1595 1 11 . 1 1 22 22 SER H H 22 8.349 8.349 8.148 0.201 19300
1596 1 11 . 1 1 23 23 ARG N N 23 132.391 132.391 127.905 4.486 19300
1597 1 11 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.095 -0.093 19300
1598 1 11 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.403 0.128 19300
1599 1 11 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.002 -0.401 19300
1600 1 11 . 1 1 23 23 ARG H H 23 9.009 9.009 8.450 0.559 19300
1601 1 11 . 1 1 24 24 ARG N N 24 117.241 117.241 116.993 0.248 19300
1602 1 11 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.209 -0.285 19300
1603 1 11 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.433 0.315 19300
1604 1 11 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.031 0.375 19300
1605 1 11 . 1 1 24 24 ARG H H 24 7.945 7.945 8.000 -0.055 19300
1606 1 11 . 1 1 25 25 HIS N N 25 111.143 111.143 115.130 -3.987 19300
1607 1 11 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.068 0.161 19300
1608 1 11 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.596 -1.645 19300
1609 1 11 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.069 -2.090 19300
1610 1 11 . 1 1 25 25 HIS H H 25 7.326 7.326 7.422 -0.096 19300
1611 1 11 . 1 1 26 26 GLY N N 26 106.585 106.585 106.375 0.210 19300
1612 1 11 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.916 1.676 19300
1613 1 11 . 1 1 26 26 GLY H H 26 8.257 8.257 8.233 0.024 19300
1614 1 11 . 1 1 27 27 TRP N N 27 114.076 114.076 117.052 -2.976 19300
1615 1 11 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.026 0.559 19300
1616 1 11 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.684 0.113 19300
1617 1 11 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.729 1.087 19300
1618 1 11 . 1 1 27 27 TRP H H 27 6.816 6.816 7.077 -0.261 19300
1619 1 11 . 1 1 28 28 CYS N N 28 120.417 120.417 122.060 -1.643 19300
1620 1 11 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.003 0.025 19300
1621 1 11 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.931 -3.784 19300
1622 1 11 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.492 16.094 19300
1623 1 11 . 1 1 28 28 CYS H H 28 8.856 8.856 9.119 -0.263 19300
1624 1 11 . 1 1 29 29 VAL N N 29 117.638 117.638 118.449 -0.811 19300
1625 1 11 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.836 0.092 19300
1626 1 11 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.266 0.081 19300
1627 1 11 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.817 0.710 19300
1628 1 11 . 1 1 29 29 VAL H H 29 9.648 9.648 9.148 0.500 19300
1629 1 11 . 1 1 30 30 TRP N N 30 120.857 120.857 121.432 -0.575 19300
1630 1 11 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.661 0.233 19300
1631 1 11 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.899 1.294 19300
1632 1 11 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.771 0.109 19300
1633 1 11 . 1 1 30 30 TRP H H 30 7.875 7.875 8.770 -0.895 19300
1634 1 11 . 1 1 31 31 ASP N N 31 122.575 122.575 124.144 -1.569 19300
1635 1 11 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.685 -0.161 19300
1636 1 11 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.425 -0.270 19300
1637 1 11 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.340 -0.808 19300
1638 1 11 . 1 1 31 31 ASP H H 31 8.813 8.813 8.388 0.425 19300
1639 1 11 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.795 -0.063 19300
1640 1 11 . 1 1 32 32 GLY H H 32 8.070 8.070 9.203 -1.133 19300
1641 1 11 . 1 1 33 33 THR N N 33 113.474 113.474 116.007 -2.533 19300
1642 1 11 . 1 1 33 33 THR HA H 33 4.311 4.311 4.525 -0.214 19300
1643 1 11 . 1 1 33 33 THR CA C 33 62.204 62.204 61.441 0.763 19300
1644 1 11 . 1 1 33 33 THR CB C 33 70.173 70.173 69.645 0.528 19300
1645 1 11 . 1 1 33 33 THR H H 33 8.040 8.040 7.923 0.117 19300
1646 1 11 . 1 1 34 34 PHE N N 34 121.941 121.941 121.959 -0.018 19300
1647 1 11 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.560 0.010 19300
1648 1 11 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.609 0.293 19300
1649 1 11 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.293 0.381 19300
1650 1 11 . 1 1 34 34 PHE H H 34 8.282 8.282 8.397 -0.115 19300
1651 1 12 . 1 1 2 2 CYS N N 2 120.737 120.737 118.897 1.840 19300
1652 1 12 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.613 0.211 19300
1653 1 12 . 1 1 2 2 CYS H H 2 8.701 8.701 8.323 0.378 19300
1654 1 12 . 1 1 3 3 ARG N N 3 120.701 120.701 122.597 -1.896 19300
1655 1 12 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.728 -0.350 19300
1656 1 12 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.191 2.962 19300
1657 1 12 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.339 -0.614 19300
1658 1 12 . 1 1 3 3 ARG H H 3 8.970 8.970 8.307 0.663 19300
1659 1 12 . 1 1 4 4 TYR N N 4 122.006 122.006 119.711 2.295 19300
1660 1 12 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.675 -0.385 19300
1661 1 12 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.280 1.056 19300
1662 1 12 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.069 0.028 19300
1663 1 12 . 1 1 4 4 TYR H H 4 8.190 8.190 7.992 0.198 19300
1664 1 12 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.188 -0.574 19300
1665 1 12 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.324 1.162 19300
1666 1 12 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.958 -0.298 19300
1667 1 12 . 1 1 6 6 LEU N N 6 121.148 121.148 120.793 0.355 19300
1668 1 12 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.036 -0.076 19300
1669 1 12 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.742 2.277 19300
1670 1 12 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.086 -0.835 19300
1671 1 12 . 1 1 6 6 LEU H H 6 8.701 8.701 8.588 0.113 19300
1672 1 12 . 1 1 7 7 GLY N N 7 110.200 110.200 107.032 3.168 19300
1673 1 12 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.211 -0.401 19300
1674 1 12 . 1 1 7 7 GLY H H 7 8.947 8.947 7.937 1.010 19300
1675 1 12 . 1 1 8 8 GLY N N 8 110.973 110.973 107.125 3.848 19300
1676 1 12 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.462 2.140 19300
1677 1 12 . 1 1 8 8 GLY H H 8 8.699 8.699 8.129 0.570 19300
1678 1 12 . 1 1 9 9 CYS N N 9 117.019 117.019 119.071 -2.052 19300
1679 1 12 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.657 0.555 19300
1680 1 12 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.028 -1.848 19300
1681 1 12 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.679 16.240 19300
1682 1 12 . 1 1 9 9 CYS H H 9 8.407 8.407 8.192 0.215 19300
1683 1 12 . 1 1 10 10 SER N N 10 116.524 116.524 115.182 1.342 19300
1684 1 12 . 1 1 10 10 SER HA H 10 4.384 4.384 4.456 -0.072 19300
1685 1 12 . 1 1 10 10 SER CA C 10 59.172 59.172 58.282 0.889 19300
1686 1 12 . 1 1 10 10 SER CB C 10 63.793 63.793 64.873 -1.080 19300
1687 1 12 . 1 1 10 10 SER H H 10 8.180 8.180 8.152 0.028 19300
1688 1 12 . 1 1 11 11 ALA N N 11 124.635 124.635 123.457 1.178 19300
1689 1 12 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.278 0.181 19300
1690 1 12 . 1 1 11 11 ALA CA C 11 52.665 52.665 54.103 -1.438 19300
1691 1 12 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.705 -0.519 19300
1692 1 12 . 1 1 11 11 ALA H H 11 8.648 8.648 8.474 0.174 19300
1693 1 12 . 1 1 12 12 GLY N N 12 106.219 106.219 104.939 1.280 19300
1694 1 12 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.200 0.131 19300
1695 1 12 . 1 1 12 12 GLY H H 12 8.060 8.060 8.430 -0.370 19300
1696 1 12 . 1 1 13 13 GLN N N 13 121.578 121.578 119.757 1.821 19300
1697 1 12 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.707 -0.396 19300
1698 1 12 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.254 0.900 19300
1699 1 12 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.702 -3.023 19300
1700 1 12 . 1 1 13 13 GLN H H 13 8.394 8.394 7.363 1.031 19300
1701 1 12 . 1 1 14 14 THR N N 14 115.982 115.982 113.399 2.583 19300
1702 1 12 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300
1703 1 12 . 1 1 14 14 THR CA C 14 61.622 61.622 61.086 0.536 19300
1704 1 12 . 1 1 14 14 THR CB C 14 70.762 70.762 71.679 -0.917 19300
1705 1 12 . 1 1 14 14 THR H H 14 8.310 8.310 8.260 0.050 19300
1706 1 12 . 1 1 15 15 CYS N N 15 123.244 123.244 120.090 3.154 19300
1707 1 12 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.881 0.177 19300
1708 1 12 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.386 -3.511 19300
1709 1 12 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.454 12.759 19300
1710 1 12 . 1 1 15 15 CYS H H 15 8.996 8.996 8.487 0.509 19300
1711 1 12 . 1 1 16 16 CYS N N 16 121.708 121.708 122.781 -1.073 19300
1712 1 12 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.358 0.196 19300
1713 1 12 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.833 -6.022 19300
1714 1 12 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.077 11.591 19300
1715 1 12 . 1 1 16 16 CYS H H 16 9.380 9.380 8.944 0.436 19300
1716 1 12 . 1 1 17 17 LYS N N 17 117.934 117.934 121.612 -3.678 19300
1717 1 12 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.136 -0.155 19300
1718 1 12 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.916 0.418 19300
1719 1 12 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.150 -0.635 19300
1720 1 12 . 1 1 17 17 LYS H H 17 7.931 7.931 8.709 -0.778 19300
1721 1 12 . 1 1 18 18 HIS N N 18 112.381 112.381 114.769 -2.388 19300
1722 1 12 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.391 -0.011 19300
1723 1 12 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.422 -2.973 19300
1724 1 12 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.469 -2.634 19300
1725 1 12 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300
1726 1 12 . 1 1 19 19 LEU N N 19 119.252 119.252 117.002 2.250 19300
1727 1 12 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.532 -0.233 19300
1728 1 12 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.602 0.421 19300
1729 1 12 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.901 -1.546 19300
1730 1 12 . 1 1 19 19 LEU H H 19 8.094 8.094 7.495 0.599 19300
1731 1 12 . 1 1 20 20 VAL N N 20 116.729 116.729 113.362 3.367 19300
1732 1 12 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.515 -0.007 19300
1733 1 12 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.560 -0.299 19300
1734 1 12 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.677 0.226 19300
1735 1 12 . 1 1 20 20 VAL H H 20 9.548 9.548 8.821 0.727 19300
1736 1 12 . 1 1 21 21 CYS N N 21 123.437 123.437 125.783 -2.346 19300
1737 1 12 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.438 0.165 19300
1738 1 12 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.650 -3.249 19300
1739 1 12 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.140 14.220 19300
1740 1 12 . 1 1 21 21 CYS H H 21 8.936 8.936 8.829 0.107 19300
1741 1 12 . 1 1 22 22 SER N N 22 124.898 124.898 122.698 2.200 19300
1742 1 12 . 1 1 22 22 SER HA H 22 4.458 4.458 4.375 0.083 19300
1743 1 12 . 1 1 22 22 SER CA C 22 57.364 57.364 57.758 -0.394 19300
1744 1 12 . 1 1 22 22 SER CB C 22 63.430 63.430 63.242 0.188 19300
1745 1 12 . 1 1 22 22 SER H H 22 8.349 8.349 8.108 0.241 19300
1746 1 12 . 1 1 23 23 ARG N N 23 132.391 132.391 127.712 4.679 19300
1747 1 12 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.088 -0.086 19300
1748 1 12 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.494 0.037 19300
1749 1 12 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.078 -0.477 19300
1750 1 12 . 1 1 23 23 ARG H H 23 9.009 9.009 8.351 0.658 19300
1751 1 12 . 1 1 24 24 ARG N N 24 117.241 117.241 116.934 0.307 19300
1752 1 12 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.180 -0.256 19300
1753 1 12 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.688 0.060 19300
1754 1 12 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.169 0.236 19300
1755 1 12 . 1 1 24 24 ARG H H 24 7.945 7.945 8.026 -0.081 19300
1756 1 12 . 1 1 25 25 HIS N N 25 111.143 111.143 115.212 -4.069 19300
1757 1 12 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.065 0.164 19300
1758 1 12 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.612 -1.661 19300
1759 1 12 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.998 -2.019 19300
1760 1 12 . 1 1 25 25 HIS H H 25 7.326 7.326 7.443 -0.117 19300
1761 1 12 . 1 1 26 26 GLY N N 26 106.585 106.585 106.325 0.260 19300
1762 1 12 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.900 1.692 19300
1763 1 12 . 1 1 26 26 GLY H H 26 8.257 8.257 8.226 0.031 19300
1764 1 12 . 1 1 27 27 TRP N N 27 114.076 114.076 117.020 -2.944 19300
1765 1 12 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300
1766 1 12 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.665 0.133 19300
1767 1 12 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.724 1.091 19300
1768 1 12 . 1 1 27 27 TRP H H 27 6.816 6.816 7.077 -0.261 19300
1769 1 12 . 1 1 28 28 CYS N N 28 120.417 120.417 121.960 -1.543 19300
1770 1 12 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.998 0.030 19300
1771 1 12 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.873 -3.726 19300
1772 1 12 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.524 16.062 19300
1773 1 12 . 1 1 28 28 CYS H H 28 8.856 8.856 9.111 -0.255 19300
1774 1 12 . 1 1 29 29 VAL N N 29 117.638 117.638 117.535 0.103 19300
1775 1 12 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.913 0.015 19300
1776 1 12 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.516 -0.169 19300
1777 1 12 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.976 0.551 19300
1778 1 12 . 1 1 29 29 VAL H H 29 9.648 9.648 8.958 0.690 19300
1779 1 12 . 1 1 30 30 TRP N N 30 120.857 120.857 121.391 -0.534 19300
1780 1 12 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.692 0.202 19300
1781 1 12 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.626 1.567 19300
1782 1 12 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.476 0.404 19300
1783 1 12 . 1 1 30 30 TRP H H 30 7.875 7.875 8.764 -0.889 19300
1784 1 12 . 1 1 31 31 ASP N N 31 122.575 122.575 125.113 -2.538 19300
1785 1 12 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.693 -0.169 19300
1786 1 12 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.346 -1.191 19300
1787 1 12 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.125 -0.593 19300
1788 1 12 . 1 1 31 31 ASP H H 31 8.813 8.813 8.359 0.454 19300
1789 1 12 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.007 -0.275 19300
1790 1 12 . 1 1 32 32 GLY H H 32 8.070 8.070 9.030 -0.960 19300
1791 1 12 . 1 1 33 33 THR N N 33 113.474 113.474 115.393 -1.919 19300
1792 1 12 . 1 1 33 33 THR HA H 33 4.311 4.311 4.491 -0.180 19300
1793 1 12 . 1 1 33 33 THR CA C 33 62.204 62.204 61.864 0.340 19300
1794 1 12 . 1 1 33 33 THR CB C 33 70.173 70.173 70.049 0.124 19300
1795 1 12 . 1 1 33 33 THR H H 33 8.040 8.040 7.954 0.086 19300
1796 1 12 . 1 1 34 34 PHE N N 34 121.941 121.941 122.731 -0.790 19300
1797 1 12 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.543 0.027 19300
1798 1 12 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.636 0.266 19300
1799 1 12 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.147 0.527 19300
1800 1 12 . 1 1 34 34 PHE H H 34 8.282 8.282 8.358 -0.076 19300
1801 1 13 . 1 1 2 2 CYS N N 2 120.737 120.737 119.078 1.659 19300
1802 1 13 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.655 0.169 19300
1803 1 13 . 1 1 2 2 CYS H H 2 8.701 8.701 8.242 0.459 19300
1804 1 13 . 1 1 3 3 ARG N N 3 120.701 120.701 122.547 -1.846 19300
1805 1 13 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300
1806 1 13 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.176 2.978 19300
1807 1 13 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.365 -0.640 19300
1808 1 13 . 1 1 3 3 ARG H H 3 8.970 8.970 8.296 0.674 19300
1809 1 13 . 1 1 4 4 TYR N N 4 122.006 122.006 119.721 2.285 19300
1810 1 13 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.679 -0.389 19300
1811 1 13 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.277 1.059 19300
1812 1 13 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.071 0.026 19300
1813 1 13 . 1 1 4 4 TYR H H 4 8.190 8.190 7.999 0.191 19300
1814 1 13 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.181 -0.567 19300
1815 1 13 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.316 1.169 19300
1816 1 13 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.938 -0.278 19300
1817 1 13 . 1 1 6 6 LEU N N 6 121.148 121.148 119.693 1.455 19300
1818 1 13 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.056 -0.096 19300
1819 1 13 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.931 2.088 19300
1820 1 13 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.867 -0.617 19300
1821 1 13 . 1 1 6 6 LEU H H 6 8.701 8.701 8.541 0.160 19300
1822 1 13 . 1 1 7 7 GLY N N 7 110.200 110.200 105.328 4.872 19300
1823 1 13 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.248 -0.438 19300
1824 1 13 . 1 1 7 7 GLY H H 7 8.947 8.947 7.893 1.054 19300
1825 1 13 . 1 1 8 8 GLY N N 8 110.973 110.973 105.984 4.989 19300
1826 1 13 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.367 2.235 19300
1827 1 13 . 1 1 8 8 GLY H H 8 8.699 8.699 7.839 0.860 19300
1828 1 13 . 1 1 9 9 CYS N N 9 117.019 117.019 117.282 -0.263 19300
1829 1 13 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.627 0.585 19300
1830 1 13 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.201 -2.021 19300
1831 1 13 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.822 15.097 19300
1832 1 13 . 1 1 9 9 CYS H H 9 8.407 8.407 8.192 0.215 19300
1833 1 13 . 1 1 10 10 SER N N 10 116.524 116.524 115.160 1.364 19300
1834 1 13 . 1 1 10 10 SER HA H 10 4.384 4.384 4.445 -0.061 19300
1835 1 13 . 1 1 10 10 SER CA C 10 59.172 59.172 58.031 1.141 19300
1836 1 13 . 1 1 10 10 SER CB C 10 63.793 63.793 64.752 -0.960 19300
1837 1 13 . 1 1 10 10 SER H H 10 8.180 8.180 8.203 -0.023 19300
1838 1 13 . 1 1 11 11 ALA N N 11 124.635 124.635 123.518 1.117 19300
1839 1 13 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.285 0.174 19300
1840 1 13 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.998 -1.333 19300
1841 1 13 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.703 -0.517 19300
1842 1 13 . 1 1 11 11 ALA H H 11 8.648 8.648 8.512 0.136 19300
1843 1 13 . 1 1 12 12 GLY N N 12 106.219 106.219 105.180 1.039 19300
1844 1 13 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.046 0.285 19300
1845 1 13 . 1 1 12 12 GLY H H 12 8.060 8.060 8.143 -0.083 19300
1846 1 13 . 1 1 13 13 GLN N N 13 121.578 121.578 119.703 1.875 19300
1847 1 13 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.711 -0.400 19300
1848 1 13 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.157 0.997 19300
1849 1 13 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.492 -2.813 19300
1850 1 13 . 1 1 13 13 GLN H H 13 8.394 8.394 7.409 0.985 19300
1851 1 13 . 1 1 14 14 THR N N 14 115.982 115.982 113.425 2.557 19300
1852 1 13 . 1 1 14 14 THR HA H 14 4.359 4.359 4.592 -0.233 19300
1853 1 13 . 1 1 14 14 THR CA C 14 61.622 61.622 61.088 0.534 19300
1854 1 13 . 1 1 14 14 THR CB C 14 70.762 70.762 71.718 -0.956 19300
1855 1 13 . 1 1 14 14 THR H H 14 8.310 8.310 8.271 0.039 19300
1856 1 13 . 1 1 15 15 CYS N N 15 123.244 123.244 120.218 3.026 19300
1857 1 13 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.883 0.175 19300
1858 1 13 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.416 -3.541 19300
1859 1 13 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.318 12.895 19300
1860 1 13 . 1 1 15 15 CYS H H 15 8.996 8.996 8.492 0.504 19300
1861 1 13 . 1 1 16 16 CYS N N 16 121.708 121.708 122.911 -1.203 19300
1862 1 13 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.354 0.200 19300
1863 1 13 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.803 -5.993 19300
1864 1 13 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.066 11.602 19300
1865 1 13 . 1 1 16 16 CYS H H 16 9.380 9.380 8.943 0.437 19300
1866 1 13 . 1 1 17 17 LYS N N 17 117.934 117.934 121.582 -3.648 19300
1867 1 13 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.128 -0.147 19300
1868 1 13 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.917 0.417 19300
1869 1 13 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.139 -0.624 19300
1870 1 13 . 1 1 17 17 LYS H H 17 7.931 7.931 8.703 -0.772 19300
1871 1 13 . 1 1 18 18 HIS N N 18 112.381 112.381 114.788 -2.407 19300
1872 1 13 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.377 0.003 19300
1873 1 13 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.415 -2.966 19300
1874 1 13 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.442 -2.607 19300
1875 1 13 . 1 1 18 18 HIS H H 18 8.601 8.601 8.846 -0.245 19300
1876 1 13 . 1 1 19 19 LEU N N 19 119.252 119.252 116.899 2.353 19300
1877 1 13 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.478 -0.179 19300
1878 1 13 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.552 0.471 19300
1879 1 13 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.762 -1.407 19300
1880 1 13 . 1 1 19 19 LEU H H 19 8.094 8.094 7.455 0.639 19300
1881 1 13 . 1 1 20 20 VAL N N 20 116.729 116.729 113.361 3.368 19300
1882 1 13 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.488 0.020 19300
1883 1 13 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.343 -0.082 19300
1884 1 13 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.567 0.336 19300
1885 1 13 . 1 1 20 20 VAL H H 20 9.548 9.548 8.729 0.819 19300
1886 1 13 . 1 1 21 21 CYS N N 21 123.437 123.437 126.469 -3.032 19300
1887 1 13 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.452 0.151 19300
1888 1 13 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.452 -3.051 19300
1889 1 13 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.065 14.295 19300
1890 1 13 . 1 1 21 21 CYS H H 21 8.936 8.936 8.971 -0.035 19300
1891 1 13 . 1 1 22 22 SER N N 22 124.898 124.898 121.958 2.940 19300
1892 1 13 . 1 1 22 22 SER HA H 22 4.458 4.458 4.433 0.025 19300
1893 1 13 . 1 1 22 22 SER CA C 22 57.364 57.364 58.181 -0.817 19300
1894 1 13 . 1 1 22 22 SER CB C 22 63.430 63.430 63.484 -0.054 19300
1895 1 13 . 1 1 22 22 SER H H 22 8.349 8.349 8.072 0.277 19300
1896 1 13 . 1 1 23 23 ARG N N 23 132.391 132.391 127.972 4.419 19300
1897 1 13 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.127 -0.125 19300
1898 1 13 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.348 0.183 19300
1899 1 13 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.929 -0.328 19300
1900 1 13 . 1 1 23 23 ARG H H 23 9.009 9.009 8.405 0.604 19300
1901 1 13 . 1 1 24 24 ARG N N 24 117.241 117.241 117.285 -0.044 19300
1902 1 13 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.165 -0.241 19300
1903 1 13 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.843 -0.095 19300
1904 1 13 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.175 0.231 19300
1905 1 13 . 1 1 24 24 ARG H H 24 7.945 7.945 8.087 -0.142 19300
1906 1 13 . 1 1 25 25 HIS N N 25 111.143 111.143 115.160 -4.017 19300
1907 1 13 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.070 0.159 19300
1908 1 13 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.659 -1.708 19300
1909 1 13 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.011 -2.032 19300
1910 1 13 . 1 1 25 25 HIS H H 25 7.326 7.326 7.447 -0.121 19300
1911 1 13 . 1 1 26 26 GLY N N 26 106.585 106.585 106.387 0.198 19300
1912 1 13 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.913 1.679 19300
1913 1 13 . 1 1 26 26 GLY H H 26 8.257 8.257 8.234 0.023 19300
1914 1 13 . 1 1 27 27 TRP N N 27 114.076 114.076 117.058 -2.982 19300
1915 1 13 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.023 0.562 19300
1916 1 13 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.684 0.115 19300
1917 1 13 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.721 1.095 19300
1918 1 13 . 1 1 27 27 TRP H H 27 6.816 6.816 7.085 -0.269 19300
1919 1 13 . 1 1 28 28 CYS N N 28 120.417 120.417 121.405 -0.988 19300
1920 1 13 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.964 0.064 19300
1921 1 13 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.075 -3.928 19300
1922 1 13 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.440 16.146 19300
1923 1 13 . 1 1 28 28 CYS H H 28 8.856 8.856 9.142 -0.286 19300
1924 1 13 . 1 1 29 29 VAL N N 29 117.638 117.638 118.618 -0.980 19300
1925 1 13 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.877 0.051 19300
1926 1 13 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.154 0.193 19300
1927 1 13 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.775 0.752 19300
1928 1 13 . 1 1 29 29 VAL H H 29 9.648 9.648 9.003 0.645 19300
1929 1 13 . 1 1 30 30 TRP N N 30 120.857 120.857 121.847 -0.990 19300
1930 1 13 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.688 0.206 19300
1931 1 13 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.204 0.989 19300
1932 1 13 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.640 0.239 19300
1933 1 13 . 1 1 30 30 TRP H H 30 7.875 7.875 8.743 -0.868 19300
1934 1 13 . 1 1 31 31 ASP N N 31 122.575 122.575 124.298 -1.723 19300
1935 1 13 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.688 -0.164 19300
1936 1 13 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.469 -0.314 19300
1937 1 13 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.376 -0.844 19300
1938 1 13 . 1 1 31 31 ASP H H 31 8.813 8.813 8.393 0.420 19300
1939 1 13 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.008 -0.276 19300
1940 1 13 . 1 1 32 32 GLY H H 32 8.070 8.070 9.204 -1.134 19300
1941 1 13 . 1 1 33 33 THR N N 33 113.474 113.474 117.080 -3.606 19300
1942 1 13 . 1 1 33 33 THR HA H 33 4.311 4.311 4.625 -0.314 19300
1943 1 13 . 1 1 33 33 THR CA C 33 62.204 62.204 62.079 0.125 19300
1944 1 13 . 1 1 33 33 THR CB C 33 70.173 70.173 70.169 0.003 19300
1945 1 13 . 1 1 33 33 THR H H 33 8.040 8.040 7.873 0.167 19300
1946 1 13 . 1 1 34 34 PHE N N 34 121.941 121.941 122.347 -0.406 19300
1947 1 13 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.582 -0.012 19300
1948 1 13 . 1 1 34 34 PHE CA C 34 57.902 57.902 56.877 1.025 19300
1949 1 13 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.164 0.510 19300
1950 1 13 . 1 1 34 34 PHE H H 34 8.282 8.282 8.154 0.128 19300
1951 1 14 . 1 1 2 2 CYS N N 2 120.737 120.737 119.099 1.638 19300
1952 1 14 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.604 0.220 19300
1953 1 14 . 1 1 2 2 CYS H H 2 8.701 8.701 8.332 0.369 19300
1954 1 14 . 1 1 3 3 ARG N N 3 120.701 120.701 122.562 -1.861 19300
1955 1 14 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.724 -0.346 19300
1956 1 14 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.194 2.960 19300
1957 1 14 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.335 -0.610 19300
1958 1 14 . 1 1 3 3 ARG H H 3 8.970 8.970 8.302 0.668 19300
1959 1 14 . 1 1 4 4 TYR N N 4 122.006 122.006 119.750 2.256 19300
1960 1 14 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.672 -0.382 19300
1961 1 14 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.290 1.046 19300
1962 1 14 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.060 0.037 19300
1963 1 14 . 1 1 4 4 TYR H H 4 8.190 8.190 7.992 0.198 19300
1964 1 14 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.185 -0.571 19300
1965 1 14 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.335 1.151 19300
1966 1 14 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.969 -0.309 19300
1967 1 14 . 1 1 6 6 LEU N N 6 121.148 121.148 120.789 0.359 19300
1968 1 14 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.041 -0.081 19300
1969 1 14 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.746 2.273 19300
1970 1 14 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.075 -0.824 19300
1971 1 14 . 1 1 6 6 LEU H H 6 8.701 8.701 8.607 0.095 19300
1972 1 14 . 1 1 7 7 GLY N N 7 110.200 110.200 106.498 3.702 19300
1973 1 14 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.316 -0.506 19300
1974 1 14 . 1 1 7 7 GLY H H 7 8.947 8.947 8.041 0.906 19300
1975 1 14 . 1 1 8 8 GLY N N 8 110.973 110.973 105.829 5.144 19300
1976 1 14 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.386 2.216 19300
1977 1 14 . 1 1 8 8 GLY H H 8 8.699 8.699 7.826 0.873 19300
1978 1 14 . 1 1 9 9 CYS N N 9 117.019 117.019 118.116 -1.097 19300
1979 1 14 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.623 0.589 19300
1980 1 14 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.299 -2.119 19300
1981 1 14 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.889 15.030 19300
1982 1 14 . 1 1 9 9 CYS H H 9 8.407 8.407 8.150 0.257 19300
1983 1 14 . 1 1 10 10 SER N N 10 116.524 116.524 115.056 1.468 19300
1984 1 14 . 1 1 10 10 SER HA H 10 4.384 4.384 4.441 -0.057 19300
1985 1 14 . 1 1 10 10 SER CA C 10 59.172 59.172 58.220 0.952 19300
1986 1 14 . 1 1 10 10 SER CB C 10 63.793 63.793 64.541 -0.748 19300
1987 1 14 . 1 1 10 10 SER H H 10 8.180 8.180 8.177 0.003 19300
1988 1 14 . 1 1 11 11 ALA N N 11 124.635 124.635 123.465 1.170 19300
1989 1 14 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.293 0.166 19300
1990 1 14 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.912 -1.247 19300
1991 1 14 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.642 -0.456 19300
1992 1 14 . 1 1 11 11 ALA H H 11 8.648 8.648 8.476 0.172 19300
1993 1 14 . 1 1 12 12 GLY N N 12 106.219 106.219 104.914 1.305 19300
1994 1 14 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.203 0.128 19300
1995 1 14 . 1 1 12 12 GLY H H 12 8.060 8.060 8.423 -0.363 19300
1996 1 14 . 1 1 13 13 GLN N N 13 121.578 121.578 119.785 1.793 19300
1997 1 14 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.752 -0.441 19300
1998 1 14 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.187 0.967 19300
1999 1 14 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.573 -2.894 19300
2000 1 14 . 1 1 13 13 GLN H H 13 8.394 8.394 7.345 1.049 19300
2001 1 14 . 1 1 14 14 THR N N 14 115.982 115.982 113.392 2.590 19300
2002 1 14 . 1 1 14 14 THR HA H 14 4.359 4.359 4.626 -0.267 19300
2003 1 14 . 1 1 14 14 THR CA C 14 61.622 61.622 61.132 0.490 19300
2004 1 14 . 1 1 14 14 THR CB C 14 70.762 70.762 71.723 -0.961 19300
2005 1 14 . 1 1 14 14 THR H H 14 8.310 8.310 8.327 -0.017 19300
2006 1 14 . 1 1 15 15 CYS N N 15 123.244 123.244 119.872 3.372 19300
2007 1 14 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.853 0.205 19300
2008 1 14 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.548 -3.674 19300
2009 1 14 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.023 12.191 19300
2010 1 14 . 1 1 15 15 CYS H H 15 8.996 8.996 8.542 0.454 19300
2011 1 14 . 1 1 16 16 CYS N N 16 121.708 121.708 122.928 -1.220 19300
2012 1 14 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.373 0.181 19300
2013 1 14 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.430 -6.620 19300
2014 1 14 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.424 11.244 19300
2015 1 14 . 1 1 16 16 CYS H H 16 9.380 9.380 8.833 0.547 19300
2016 1 14 . 1 1 17 17 LYS N N 17 117.934 117.934 121.625 -3.691 19300
2017 1 14 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.133 -0.152 19300
2018 1 14 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.928 0.406 19300
2019 1 14 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.154 -0.639 19300
2020 1 14 . 1 1 17 17 LYS H H 17 7.931 7.931 8.709 -0.778 19300
2021 1 14 . 1 1 18 18 HIS N N 18 112.381 112.381 114.701 -2.320 19300
2022 1 14 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.392 -0.012 19300
2023 1 14 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.412 -2.963 19300
2024 1 14 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.546 -2.711 19300
2025 1 14 . 1 1 18 18 HIS H H 18 8.601 8.601 8.857 -0.256 19300
2026 1 14 . 1 1 19 19 LEU N N 19 119.252 119.252 116.801 2.451 19300
2027 1 14 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.524 -0.225 19300
2028 1 14 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.584 0.438 19300
2029 1 14 . 1 1 19 19 LEU CB C 19 45.355 45.355 47.020 -1.665 19300
2030 1 14 . 1 1 19 19 LEU H H 19 8.094 8.094 7.480 0.614 19300
2031 1 14 . 1 1 20 20 VAL N N 20 116.729 116.729 112.697 4.032 19300
2032 1 14 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.534 -0.026 19300
2033 1 14 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.625 -0.364 19300
2034 1 14 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.769 0.134 19300
2035 1 14 . 1 1 20 20 VAL H H 20 9.548 9.548 8.814 0.734 19300
2036 1 14 . 1 1 21 21 CYS N N 21 123.437 123.437 125.688 -2.251 19300
2037 1 14 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.460 0.143 19300
2038 1 14 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.561 -3.160 19300
2039 1 14 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.148 14.212 19300
2040 1 14 . 1 1 21 21 CYS H H 21 8.936 8.936 8.869 0.067 19300
2041 1 14 . 1 1 22 22 SER N N 22 124.898 124.898 122.581 2.317 19300
2042 1 14 . 1 1 22 22 SER HA H 22 4.458 4.458 4.373 0.085 19300
2043 1 14 . 1 1 22 22 SER CA C 22 57.364 57.364 57.974 -0.610 19300
2044 1 14 . 1 1 22 22 SER CB C 22 63.430 63.430 63.469 -0.039 19300
2045 1 14 . 1 1 22 22 SER H H 22 8.349 8.349 8.069 0.280 19300
2046 1 14 . 1 1 23 23 ARG N N 23 132.391 132.391 127.967 4.424 19300
2047 1 14 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.112 -0.110 19300
2048 1 14 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.473 0.058 19300
2049 1 14 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.982 -0.381 19300
2050 1 14 . 1 1 23 23 ARG H H 23 9.009 9.009 8.368 0.641 19300
2051 1 14 . 1 1 24 24 ARG N N 24 117.241 117.241 117.320 -0.079 19300
2052 1 14 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.157 -0.233 19300
2053 1 14 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.810 -0.062 19300
2054 1 14 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.099 0.307 19300
2055 1 14 . 1 1 24 24 ARG H H 24 7.945 7.945 8.077 -0.132 19300
2056 1 14 . 1 1 25 25 HIS N N 25 111.143 111.143 115.096 -3.953 19300
2057 1 14 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.055 0.174 19300
2058 1 14 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.644 -1.692 19300
2059 1 14 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.985 -2.006 19300
2060 1 14 . 1 1 25 25 HIS H H 25 7.326 7.326 7.431 -0.105 19300
2061 1 14 . 1 1 26 26 GLY N N 26 106.585 106.585 106.300 0.285 19300
2062 1 14 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.903 1.689 19300
2063 1 14 . 1 1 26 26 GLY H H 26 8.257 8.257 8.215 0.042 19300
2064 1 14 . 1 1 27 27 TRP N N 27 114.076 114.076 117.020 -2.944 19300
2065 1 14 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300
2066 1 14 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.673 0.124 19300
2067 1 14 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.729 1.087 19300
2068 1 14 . 1 1 27 27 TRP H H 27 6.816 6.816 7.079 -0.263 19300
2069 1 14 . 1 1 28 28 CYS N N 28 120.417 120.417 121.897 -1.480 19300
2070 1 14 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.024 0.004 19300
2071 1 14 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.461 -4.314 19300
2072 1 14 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.270 16.316 19300
2073 1 14 . 1 1 28 28 CYS H H 28 8.856 8.856 9.164 -0.308 19300
2074 1 14 . 1 1 29 29 VAL N N 29 117.638 117.638 118.343 -0.705 19300
2075 1 14 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.866 0.062 19300
2076 1 14 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.862 0.485 19300
2077 1 14 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.519 1.008 19300
2078 1 14 . 1 1 29 29 VAL H H 29 9.648 9.648 8.930 0.718 19300
2079 1 14 . 1 1 30 30 TRP N N 30 120.857 120.857 121.887 -1.030 19300
2080 1 14 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.706 0.188 19300
2081 1 14 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.734 1.459 19300
2082 1 14 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.375 0.505 19300
2083 1 14 . 1 1 30 30 TRP H H 30 7.875 7.875 8.721 -0.846 19300
2084 1 14 . 1 1 31 31 ASP N N 31 122.575 122.575 124.859 -2.284 19300
2085 1 14 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.685 -0.161 19300
2086 1 14 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.353 -1.198 19300
2087 1 14 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.217 -0.685 19300
2088 1 14 . 1 1 31 31 ASP H H 31 8.813 8.813 8.317 0.496 19300
2089 1 14 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.870 -0.138 19300
2090 1 14 . 1 1 32 32 GLY H H 32 8.070 8.070 9.018 -0.948 19300
2091 1 14 . 1 1 33 33 THR N N 33 113.474 113.474 114.630 -1.156 19300
2092 1 14 . 1 1 33 33 THR HA H 33 4.311 4.311 4.492 -0.181 19300
2093 1 14 . 1 1 33 33 THR CA C 33 62.204 62.204 61.749 0.455 19300
2094 1 14 . 1 1 33 33 THR CB C 33 70.173 70.173 70.065 0.108 19300
2095 1 14 . 1 1 33 33 THR H H 33 8.040 8.040 7.914 0.126 19300
2096 1 14 . 1 1 34 34 PHE N N 34 121.941 121.941 121.943 -0.002 19300
2097 1 14 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.500 0.070 19300
2098 1 14 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.182 -0.280 19300
2099 1 14 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.163 0.511 19300
2100 1 14 . 1 1 34 34 PHE H H 34 8.282 8.282 8.453 -0.171 19300
2101 1 15 . 1 1 2 2 CYS N N 2 120.737 120.737 119.250 1.487 19300
2102 1 15 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.601 0.223 19300
2103 1 15 . 1 1 2 2 CYS H H 2 8.701 8.701 8.363 0.338 19300
2104 1 15 . 1 1 3 3 ARG N N 3 120.701 120.701 122.567 -1.866 19300
2105 1 15 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.726 -0.348 19300
2106 1 15 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.203 2.951 19300
2107 1 15 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.332 -0.607 19300
2108 1 15 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300
2109 1 15 . 1 1 4 4 TYR N N 4 122.006 122.006 119.746 2.260 19300
2110 1 15 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.677 -0.387 19300
2111 1 15 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.285 1.050 19300
2112 1 15 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.066 0.031 19300
2113 1 15 . 1 1 4 4 TYR H H 4 8.190 8.190 8.001 0.189 19300
2114 1 15 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.191 -0.577 19300
2115 1 15 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.329 1.157 19300
2116 1 15 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.976 -0.316 19300
2117 1 15 . 1 1 6 6 LEU N N 6 121.148 121.148 120.062 1.086 19300
2118 1 15 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.073 -0.113 19300
2119 1 15 . 1 1 6 6 LEU CA C 6 57.019 57.019 55.017 2.002 19300
2120 1 15 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.870 -0.619 19300
2121 1 15 . 1 1 6 6 LEU H H 6 8.701 8.701 8.496 0.205 19300
2122 1 15 . 1 1 7 7 GLY N N 7 110.200 110.200 105.248 4.952 19300
2123 1 15 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.143 -0.333 19300
2124 1 15 . 1 1 7 7 GLY H H 7 8.947 8.947 7.764 1.183 19300
2125 1 15 . 1 1 8 8 GLY N N 8 110.973 110.973 107.315 3.658 19300
2126 1 15 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.374 2.228 19300
2127 1 15 . 1 1 8 8 GLY H H 8 8.699 8.699 7.825 0.874 19300
2128 1 15 . 1 1 9 9 CYS N N 9 117.019 117.019 118.135 -1.116 19300
2129 1 15 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.704 0.508 19300
2130 1 15 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.572 -2.392 19300
2131 1 15 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.535 16.384 19300
2132 1 15 . 1 1 9 9 CYS H H 9 8.407 8.407 8.324 0.083 19300
2133 1 15 . 1 1 10 10 SER N N 10 116.524 116.524 115.118 1.406 19300
2134 1 15 . 1 1 10 10 SER HA H 10 4.384 4.384 4.444 -0.060 19300
2135 1 15 . 1 1 10 10 SER CA C 10 59.172 59.172 58.029 1.143 19300
2136 1 15 . 1 1 10 10 SER CB C 10 63.793 63.793 64.757 -0.964 19300
2137 1 15 . 1 1 10 10 SER H H 10 8.180 8.180 8.207 -0.027 19300
2138 1 15 . 1 1 11 11 ALA N N 11 124.635 124.635 123.453 1.182 19300
2139 1 15 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.288 0.171 19300
2140 1 15 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.976 -1.311 19300
2141 1 15 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.705 -0.519 19300
2142 1 15 . 1 1 11 11 ALA H H 11 8.648 8.648 8.501 0.147 19300
2143 1 15 . 1 1 12 12 GLY N N 12 106.219 106.219 104.936 1.283 19300
2144 1 15 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.200 0.131 19300
2145 1 15 . 1 1 12 12 GLY H H 12 8.060 8.060 8.430 -0.370 19300
2146 1 15 . 1 1 13 13 GLN N N 13 121.578 121.578 120.012 1.566 19300
2147 1 15 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.704 -0.393 19300
2148 1 15 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.156 0.998 19300
2149 1 15 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.448 -2.769 19300
2150 1 15 . 1 1 13 13 GLN H H 13 8.394 8.394 7.350 1.044 19300
2151 1 15 . 1 1 14 14 THR N N 14 115.982 115.982 113.391 2.591 19300
2152 1 15 . 1 1 14 14 THR HA H 14 4.359 4.359 4.652 -0.293 19300
2153 1 15 . 1 1 14 14 THR CA C 14 61.622 61.622 61.110 0.512 19300
2154 1 15 . 1 1 14 14 THR CB C 14 70.762 70.762 71.635 -0.873 19300
2155 1 15 . 1 1 14 14 THR H H 14 8.310 8.310 8.297 0.013 19300
2156 1 15 . 1 1 15 15 CYS N N 15 123.244 123.244 119.903 3.341 19300
2157 1 15 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.863 0.195 19300
2158 1 15 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.623 -3.748 19300
2159 1 15 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.073 12.140 19300
2160 1 15 . 1 1 15 15 CYS H H 15 8.996 8.996 8.483 0.513 19300
2161 1 15 . 1 1 16 16 CYS N N 16 121.708 121.708 122.802 -1.094 19300
2162 1 15 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.338 0.216 19300
2163 1 15 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.170 -6.360 19300
2164 1 15 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.027 11.641 19300
2165 1 15 . 1 1 16 16 CYS H H 16 9.380 9.380 8.954 0.426 19300
2166 1 15 . 1 1 17 17 LYS N N 17 117.934 117.934 121.463 -3.529 19300
2167 1 15 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.153 -0.172 19300
2168 1 15 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.740 0.594 19300
2169 1 15 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.065 -0.550 19300
2170 1 15 . 1 1 17 17 LYS H H 17 7.931 7.931 8.719 -0.788 19300
2171 1 15 . 1 1 18 18 HIS N N 18 112.381 112.381 114.272 -1.891 19300
2172 1 15 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.398 -0.018 19300
2173 1 15 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.542 -3.093 19300
2174 1 15 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.542 -2.707 19300
2175 1 15 . 1 1 18 18 HIS H H 18 8.601 8.601 8.836 -0.235 19300
2176 1 15 . 1 1 19 19 LEU N N 19 119.252 119.252 116.824 2.428 19300
2177 1 15 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.465 -0.166 19300
2178 1 15 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.633 0.390 19300
2179 1 15 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.802 -1.447 19300
2180 1 15 . 1 1 19 19 LEU H H 19 8.094 8.094 7.457 0.637 19300
2181 1 15 . 1 1 20 20 VAL N N 20 116.729 116.729 113.179 3.550 19300
2182 1 15 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.497 0.011 19300
2183 1 15 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.690 -0.429 19300
2184 1 15 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.654 0.249 19300
2185 1 15 . 1 1 20 20 VAL H H 20 9.548 9.548 8.776 0.772 19300
2186 1 15 . 1 1 21 21 CYS N N 21 123.437 123.437 125.731 -2.294 19300
2187 1 15 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.502 0.101 19300
2188 1 15 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.662 -3.261 19300
2189 1 15 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.062 14.298 19300
2190 1 15 . 1 1 21 21 CYS H H 21 8.936 8.936 8.869 0.067 19300
2191 1 15 . 1 1 22 22 SER N N 22 124.898 124.898 122.702 2.196 19300
2192 1 15 . 1 1 22 22 SER HA H 22 4.458 4.458 4.353 0.105 19300
2193 1 15 . 1 1 22 22 SER CA C 22 57.364 57.364 57.799 -0.435 19300
2194 1 15 . 1 1 22 22 SER CB C 22 63.430 63.430 63.186 0.244 19300
2195 1 15 . 1 1 22 22 SER H H 22 8.349 8.349 8.104 0.245 19300
2196 1 15 . 1 1 23 23 ARG N N 23 132.391 132.391 127.718 4.673 19300
2197 1 15 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.060 -0.058 19300
2198 1 15 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.488 0.043 19300
2199 1 15 . 1 1 23 23 ARG CB C 23 29.601 29.601 29.966 -0.365 19300
2200 1 15 . 1 1 23 23 ARG H H 23 9.009 9.009 8.230 0.779 19300
2201 1 15 . 1 1 24 24 ARG N N 24 117.241 117.241 117.620 -0.379 19300
2202 1 15 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.213 -0.289 19300
2203 1 15 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.134 0.614 19300
2204 1 15 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.050 0.356 19300
2205 1 15 . 1 1 24 24 ARG H H 24 7.945 7.945 8.033 -0.088 19300
2206 1 15 . 1 1 25 25 HIS N N 25 111.143 111.143 115.584 -4.441 19300
2207 1 15 . 1 1 25 25 HIS HA H 25 4.229 4.229 3.942 0.287 19300
2208 1 15 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.962 -2.011 19300
2209 1 15 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.103 -2.124 19300
2210 1 15 . 1 1 25 25 HIS H H 25 7.326 7.326 7.459 -0.133 19300
2211 1 15 . 1 1 26 26 GLY N N 26 106.585 106.585 106.011 0.574 19300
2212 1 15 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.874 1.718 19300
2213 1 15 . 1 1 26 26 GLY H H 26 8.257 8.257 8.233 0.024 19300
2214 1 15 . 1 1 27 27 TRP N N 27 114.076 114.076 117.022 -2.946 19300
2215 1 15 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.024 0.561 19300
2216 1 15 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.675 0.123 19300
2217 1 15 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.734 1.082 19300
2218 1 15 . 1 1 27 27 TRP H H 27 6.816 6.816 7.054 -0.238 19300
2219 1 15 . 1 1 28 28 CYS N N 28 120.417 120.417 121.991 -1.574 19300
2220 1 15 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.007 0.021 19300
2221 1 15 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.501 -4.354 19300
2222 1 15 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.243 16.343 19300
2223 1 15 . 1 1 28 28 CYS H H 28 8.856 8.856 9.165 -0.309 19300
2224 1 15 . 1 1 29 29 VAL N N 29 117.638 117.638 118.426 -0.788 19300
2225 1 15 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.873 0.055 19300
2226 1 15 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.811 0.536 19300
2227 1 15 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.497 1.030 19300
2228 1 15 . 1 1 29 29 VAL H H 29 9.648 9.648 8.955 0.693 19300
2229 1 15 . 1 1 30 30 TRP N N 30 120.857 120.857 121.986 -1.129 19300
2230 1 15 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.704 0.190 19300
2231 1 15 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.761 1.432 19300
2232 1 15 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.376 0.504 19300
2233 1 15 . 1 1 30 30 TRP H H 30 7.875 7.875 8.732 -0.857 19300
2234 1 15 . 1 1 31 31 ASP N N 31 122.575 122.575 125.128 -2.553 19300
2235 1 15 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.746 -0.222 19300
2236 1 15 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.572 -1.417 19300
2237 1 15 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.178 -0.646 19300
2238 1 15 . 1 1 31 31 ASP H H 31 8.813 8.813 8.366 0.447 19300
2239 1 15 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.900 -0.168 19300
2240 1 15 . 1 1 32 32 GLY H H 32 8.070 8.070 9.012 -0.942 19300
2241 1 15 . 1 1 33 33 THR N N 33 113.474 113.474 115.217 -1.743 19300
2242 1 15 . 1 1 33 33 THR HA H 33 4.311 4.311 4.427 -0.116 19300
2243 1 15 . 1 1 33 33 THR CA C 33 62.204 62.204 61.994 0.210 19300
2244 1 15 . 1 1 33 33 THR CB C 33 70.173 70.173 69.906 0.266 19300
2245 1 15 . 1 1 33 33 THR H H 33 8.040 8.040 7.914 0.126 19300
2246 1 15 . 1 1 34 34 PHE N N 34 121.941 121.941 122.842 -0.901 19300
2247 1 15 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.610 -0.040 19300
2248 1 15 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.881 0.021 19300
2249 1 15 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.267 0.407 19300
2250 1 15 . 1 1 34 34 PHE H H 34 8.282 8.282 8.335 -0.053 19300
2251 1 16 . 1 1 2 2 CYS N N 2 120.737 120.737 119.044 1.693 19300
2252 1 16 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.570 0.254 19300
2253 1 16 . 1 1 2 2 CYS H H 2 8.701 8.701 8.265 0.436 19300
2254 1 16 . 1 1 3 3 ARG N N 3 120.701 120.701 122.545 -1.844 19300
2255 1 16 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300
2256 1 16 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.180 2.974 19300
2257 1 16 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.354 -0.629 19300
2258 1 16 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300
2259 1 16 . 1 1 4 4 TYR N N 4 122.006 122.006 119.755 2.251 19300
2260 1 16 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.682 -0.392 19300
2261 1 16 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.307 1.029 19300
2262 1 16 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.063 0.034 19300
2263 1 16 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300
2264 1 16 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.179 -0.565 19300
2265 1 16 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.323 1.163 19300
2266 1 16 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.951 -0.291 19300
2267 1 16 . 1 1 6 6 LEU N N 6 121.148 121.148 120.779 0.369 19300
2268 1 16 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.040 -0.080 19300
2269 1 16 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.740 2.279 19300
2270 1 16 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.063 -0.812 19300
2271 1 16 . 1 1 6 6 LEU H H 6 8.701 8.701 8.596 0.105 19300
2272 1 16 . 1 1 7 7 GLY N N 7 110.200 110.200 106.568 3.632 19300
2273 1 16 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.357 -0.547 19300
2274 1 16 . 1 1 7 7 GLY H H 7 8.947 8.947 8.031 0.916 19300
2275 1 16 . 1 1 8 8 GLY N N 8 110.973 110.973 105.921 5.052 19300
2276 1 16 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.363 2.239 19300
2277 1 16 . 1 1 8 8 GLY H H 8 8.699 8.699 7.817 0.882 19300
2278 1 16 . 1 1 9 9 CYS N N 9 117.019 117.019 118.176 -1.157 19300
2279 1 16 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.626 0.586 19300
2280 1 16 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.318 -2.138 19300
2281 1 16 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.917 15.002 19300
2282 1 16 . 1 1 9 9 CYS H H 9 8.407 8.407 8.152 0.256 19300
2283 1 16 . 1 1 10 10 SER N N 10 116.524 116.524 115.045 1.479 19300
2284 1 16 . 1 1 10 10 SER HA H 10 4.384 4.384 4.444 -0.060 19300
2285 1 16 . 1 1 10 10 SER CA C 10 59.172 59.172 58.295 0.877 19300
2286 1 16 . 1 1 10 10 SER CB C 10 63.793 63.793 64.532 -0.739 19300
2287 1 16 . 1 1 10 10 SER H H 10 8.180 8.180 8.176 0.004 19300
2288 1 16 . 1 1 11 11 ALA N N 11 124.635 124.635 123.466 1.169 19300
2289 1 16 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.296 0.163 19300
2290 1 16 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.915 -1.250 19300
2291 1 16 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.638 -0.452 19300
2292 1 16 . 1 1 11 11 ALA H H 11 8.648 8.648 8.474 0.174 19300
2293 1 16 . 1 1 12 12 GLY N N 12 106.219 106.219 104.896 1.323 19300
2294 1 16 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.205 0.127 19300
2295 1 16 . 1 1 12 12 GLY H H 12 8.060 8.060 8.424 -0.364 19300
2296 1 16 . 1 1 13 13 GLN N N 13 121.578 121.578 120.021 1.557 19300
2297 1 16 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.707 -0.396 19300
2298 1 16 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.163 0.991 19300
2299 1 16 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.447 -2.768 19300
2300 1 16 . 1 1 13 13 GLN H H 13 8.394 8.394 7.408 0.986 19300
2301 1 16 . 1 1 14 14 THR N N 14 115.982 115.982 113.393 2.589 19300
2302 1 16 . 1 1 14 14 THR HA H 14 4.359 4.359 4.653 -0.294 19300
2303 1 16 . 1 1 14 14 THR CA C 14 61.622 61.622 61.099 0.523 19300
2304 1 16 . 1 1 14 14 THR CB C 14 70.762 70.762 71.644 -0.882 19300
2305 1 16 . 1 1 14 14 THR H H 14 8.310 8.310 8.301 0.009 19300
2306 1 16 . 1 1 15 15 CYS N N 15 123.244 123.244 119.883 3.361 19300
2307 1 16 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.857 0.201 19300
2308 1 16 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.599 -3.724 19300
2309 1 16 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.087 12.126 19300
2310 1 16 . 1 1 15 15 CYS H H 15 8.996 8.996 8.479 0.517 19300
2311 1 16 . 1 1 16 16 CYS N N 16 121.708 121.708 122.758 -1.050 19300
2312 1 16 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.345 0.209 19300
2313 1 16 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.023 -6.213 19300
2314 1 16 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.035 11.633 19300
2315 1 16 . 1 1 16 16 CYS H H 16 9.380 9.380 8.953 0.427 19300
2316 1 16 . 1 1 17 17 LYS N N 17 117.934 117.934 121.527 -3.593 19300
2317 1 16 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.139 -0.158 19300
2318 1 16 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.811 0.523 19300
2319 1 16 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.107 -0.592 19300
2320 1 16 . 1 1 17 17 LYS H H 17 7.931 7.931 8.702 -0.771 19300
2321 1 16 . 1 1 18 18 HIS N N 18 112.381 112.381 114.567 -2.186 19300
2322 1 16 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.376 0.004 19300
2323 1 16 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.407 -2.958 19300
2324 1 16 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.442 -2.607 19300
2325 1 16 . 1 1 18 18 HIS H H 18 8.601 8.601 8.837 -0.236 19300
2326 1 16 . 1 1 19 19 LEU N N 19 119.252 119.252 116.825 2.427 19300
2327 1 16 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.462 -0.163 19300
2328 1 16 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.575 0.448 19300
2329 1 16 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.815 -1.460 19300
2330 1 16 . 1 1 19 19 LEU H H 19 8.094 8.094 7.440 0.654 19300
2331 1 16 . 1 1 20 20 VAL N N 20 116.729 116.729 113.645 3.084 19300
2332 1 16 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.444 0.064 19300
2333 1 16 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.694 -0.432 19300
2334 1 16 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.296 0.607 19300
2335 1 16 . 1 1 20 20 VAL H H 20 9.548 9.548 8.713 0.835 19300
2336 1 16 . 1 1 21 21 CYS N N 21 123.437 123.437 126.076 -2.639 19300
2337 1 16 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.495 0.108 19300
2338 1 16 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.709 -3.308 19300
2339 1 16 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.135 14.225 19300
2340 1 16 . 1 1 21 21 CYS H H 21 8.936 8.936 8.814 0.122 19300
2341 1 16 . 1 1 22 22 SER N N 22 124.898 124.898 122.864 2.034 19300
2342 1 16 . 1 1 22 22 SER HA H 22 4.458 4.458 4.455 0.003 19300
2343 1 16 . 1 1 22 22 SER CA C 22 57.364 57.364 57.833 -0.469 19300
2344 1 16 . 1 1 22 22 SER CB C 22 63.430 63.430 63.097 0.333 19300
2345 1 16 . 1 1 22 22 SER H H 22 8.349 8.349 8.086 0.263 19300
2346 1 16 . 1 1 23 23 ARG N N 23 132.391 132.391 127.307 5.084 19300
2347 1 16 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.106 -0.104 19300
2348 1 16 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.457 0.074 19300
2349 1 16 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.016 -0.415 19300
2350 1 16 . 1 1 23 23 ARG H H 23 9.009 9.009 8.362 0.647 19300
2351 1 16 . 1 1 24 24 ARG N N 24 117.241 117.241 117.102 0.139 19300
2352 1 16 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.184 -0.260 19300
2353 1 16 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.704 0.044 19300
2354 1 16 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.194 0.212 19300
2355 1 16 . 1 1 24 24 ARG H H 24 7.945 7.945 8.049 -0.104 19300
2356 1 16 . 1 1 25 25 HIS N N 25 111.143 111.143 115.216 -4.073 19300
2357 1 16 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.059 0.170 19300
2358 1 16 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.692 -1.741 19300
2359 1 16 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.973 -1.994 19300
2360 1 16 . 1 1 25 25 HIS H H 25 7.326 7.326 7.457 -0.131 19300
2361 1 16 . 1 1 26 26 GLY N N 26 106.585 106.585 106.316 0.269 19300
2362 1 16 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.905 1.687 19300
2363 1 16 . 1 1 26 26 GLY H H 26 8.257 8.257 8.229 0.028 19300
2364 1 16 . 1 1 27 27 TRP N N 27 114.076 114.076 117.047 -2.971 19300
2365 1 16 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.030 0.555 19300
2366 1 16 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.679 0.119 19300
2367 1 16 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.732 1.084 19300
2368 1 16 . 1 1 27 27 TRP H H 27 6.816 6.816 7.079 -0.263 19300
2369 1 16 . 1 1 28 28 CYS N N 28 120.417 120.417 122.012 -1.595 19300
2370 1 16 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.004 0.024 19300
2371 1 16 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.475 -4.328 19300
2372 1 16 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.225 16.361 19300
2373 1 16 . 1 1 28 28 CYS H H 28 8.856 8.856 9.164 -0.308 19300
2374 1 16 . 1 1 29 29 VAL N N 29 117.638 117.638 119.581 -1.943 19300
2375 1 16 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.790 0.138 19300
2376 1 16 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.292 1.055 19300
2377 1 16 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.011 1.516 19300
2378 1 16 . 1 1 29 29 VAL H H 29 9.648 9.648 9.043 0.605 19300
2379 1 16 . 1 1 30 30 TRP N N 30 120.857 120.857 121.695 -0.838 19300
2380 1 16 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.664 0.230 19300
2381 1 16 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.877 1.316 19300
2382 1 16 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.764 0.116 19300
2383 1 16 . 1 1 30 30 TRP H H 30 7.875 7.875 8.671 -0.796 19300
2384 1 16 . 1 1 31 31 ASP N N 31 122.575 122.575 124.382 -1.807 19300
2385 1 16 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.683 -0.159 19300
2386 1 16 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.453 -0.298 19300
2387 1 16 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.229 -0.697 19300
2388 1 16 . 1 1 31 31 ASP H H 31 8.813 8.813 8.377 0.435 19300
2389 1 16 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.763 -0.031 19300
2390 1 16 . 1 1 32 32 GLY H H 32 8.070 8.070 9.201 -1.131 19300
2391 1 16 . 1 1 33 33 THR N N 33 113.474 113.474 116.003 -2.529 19300
2392 1 16 . 1 1 33 33 THR HA H 33 4.311 4.311 4.526 -0.215 19300
2393 1 16 . 1 1 33 33 THR CA C 33 62.204 62.204 61.439 0.765 19300
2394 1 16 . 1 1 33 33 THR CB C 33 70.173 70.173 69.639 0.534 19300
2395 1 16 . 1 1 33 33 THR H H 33 8.040 8.040 7.933 0.107 19300
2396 1 16 . 1 1 34 34 PHE N N 34 121.941 121.941 121.220 0.721 19300
2397 1 16 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.558 0.012 19300
2398 1 16 . 1 1 34 34 PHE CA C 34 57.902 57.902 58.340 -0.438 19300
2399 1 16 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.257 0.417 19300
2400 1 16 . 1 1 34 34 PHE H H 34 8.282 8.282 8.275 0.007 19300
2401 1 17 . 1 1 2 2 CYS N N 2 120.737 120.737 119.083 1.654 19300
2402 1 17 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.618 0.206 19300
2403 1 17 . 1 1 2 2 CYS H H 2 8.701 8.701 8.331 0.370 19300
2404 1 17 . 1 1 3 3 ARG N N 3 120.701 120.701 122.537 -1.836 19300
2405 1 17 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300
2406 1 17 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.178 2.975 19300
2407 1 17 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.363 -0.638 19300
2408 1 17 . 1 1 3 3 ARG H H 3 8.970 8.970 8.298 0.672 19300
2409 1 17 . 1 1 4 4 TYR N N 4 122.006 122.006 119.783 2.223 19300
2410 1 17 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.683 -0.393 19300
2411 1 17 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.309 1.027 19300
2412 1 17 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.061 0.036 19300
2413 1 17 . 1 1 4 4 TYR H H 4 8.190 8.190 8.001 0.189 19300
2414 1 17 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.181 -0.567 19300
2415 1 17 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.326 1.160 19300
2416 1 17 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.951 -0.291 19300
2417 1 17 . 1 1 6 6 LEU N N 6 121.148 121.148 120.764 0.384 19300
2418 1 17 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.039 -0.079 19300
2419 1 17 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.742 2.277 19300
2420 1 17 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.059 -0.808 19300
2421 1 17 . 1 1 6 6 LEU H H 6 8.701 8.701 8.593 0.108 19300
2422 1 17 . 1 1 7 7 GLY N N 7 110.200 110.200 107.176 3.024 19300
2423 1 17 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.278 -0.468 19300
2424 1 17 . 1 1 7 7 GLY H H 7 8.947 8.947 7.940 1.007 19300
2425 1 17 . 1 1 8 8 GLY N N 8 110.973 110.973 107.166 3.807 19300
2426 1 17 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.406 2.196 19300
2427 1 17 . 1 1 8 8 GLY H H 8 8.699 8.699 8.093 0.606 19300
2428 1 17 . 1 1 9 9 CYS N N 9 117.019 117.019 118.293 -1.274 19300
2429 1 17 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.666 0.546 19300
2430 1 17 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.089 -1.909 19300
2431 1 17 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.600 16.319 19300
2432 1 17 . 1 1 9 9 CYS H H 9 8.407 8.407 8.185 0.222 19300
2433 1 17 . 1 1 10 10 SER N N 10 116.524 116.524 115.093 1.431 19300
2434 1 17 . 1 1 10 10 SER HA H 10 4.384 4.384 4.452 -0.068 19300
2435 1 17 . 1 1 10 10 SER CA C 10 59.172 59.172 58.255 0.917 19300
2436 1 17 . 1 1 10 10 SER CB C 10 63.793 63.793 64.676 -0.883 19300
2437 1 17 . 1 1 10 10 SER H H 10 8.180 8.180 8.195 -0.015 19300
2438 1 17 . 1 1 11 11 ALA N N 11 124.635 124.635 123.384 1.251 19300
2439 1 17 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.295 0.164 19300
2440 1 17 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.962 -1.297 19300
2441 1 17 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.678 -0.492 19300
2442 1 17 . 1 1 11 11 ALA H H 11 8.648 8.648 8.489 0.159 19300
2443 1 17 . 1 1 12 12 GLY N N 12 106.219 106.219 105.526 0.693 19300
2444 1 17 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.015 0.316 19300
2445 1 17 . 1 1 12 12 GLY H H 12 8.060 8.060 8.109 -0.049 19300
2446 1 17 . 1 1 13 13 GLN N N 13 121.578 121.578 119.603 1.975 19300
2447 1 17 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.617 -0.306 19300
2448 1 17 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.020 1.134 19300
2449 1 17 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.341 -2.662 19300
2450 1 17 . 1 1 13 13 GLN H H 13 8.394 8.394 7.428 0.966 19300
2451 1 17 . 1 1 14 14 THR N N 14 115.982 115.982 113.402 2.580 19300
2452 1 17 . 1 1 14 14 THR HA H 14 4.359 4.359 4.593 -0.234 19300
2453 1 17 . 1 1 14 14 THR CA C 14 61.622 61.622 61.069 0.553 19300
2454 1 17 . 1 1 14 14 THR CB C 14 70.762 70.762 71.696 -0.934 19300
2455 1 17 . 1 1 14 14 THR H H 14 8.310 8.310 8.269 0.041 19300
2456 1 17 . 1 1 15 15 CYS N N 15 123.244 123.244 120.129 3.115 19300
2457 1 17 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.879 0.179 19300
2458 1 17 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.374 -3.499 19300
2459 1 17 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.464 12.749 19300
2460 1 17 . 1 1 15 15 CYS H H 15 8.996 8.996 8.478 0.518 19300
2461 1 17 . 1 1 16 16 CYS N N 16 121.708 121.708 122.810 -1.102 19300
2462 1 17 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.357 0.197 19300
2463 1 17 . 1 1 16 16 CYS CA C 16 53.810 53.810 59.806 -5.996 19300
2464 1 17 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.067 11.601 19300
2465 1 17 . 1 1 16 16 CYS H H 16 9.380 9.380 8.942 0.438 19300
2466 1 17 . 1 1 17 17 LYS N N 17 117.934 117.934 121.496 -3.562 19300
2467 1 17 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.129 -0.148 19300
2468 1 17 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.894 0.440 19300
2469 1 17 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.128 -0.613 19300
2470 1 17 . 1 1 17 17 LYS H H 17 7.931 7.931 8.700 -0.769 19300
2471 1 17 . 1 1 18 18 HIS N N 18 112.381 112.381 114.557 -2.176 19300
2472 1 17 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.378 0.002 19300
2473 1 17 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.284 -2.835 19300
2474 1 17 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.649 -2.814 19300
2475 1 17 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300
2476 1 17 . 1 1 19 19 LEU N N 19 119.252 119.252 116.693 2.559 19300
2477 1 17 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.460 -0.161 19300
2478 1 17 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.584 0.439 19300
2479 1 17 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.927 -1.572 19300
2480 1 17 . 1 1 19 19 LEU H H 19 8.094 8.094 7.435 0.659 19300
2481 1 17 . 1 1 20 20 VAL N N 20 116.729 116.729 112.686 4.043 19300
2482 1 17 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.464 0.044 19300
2483 1 17 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.884 -0.623 19300
2484 1 17 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.656 0.247 19300
2485 1 17 . 1 1 20 20 VAL H H 20 9.548 9.548 8.616 0.932 19300
2486 1 17 . 1 1 21 21 CYS N N 21 123.437 123.437 126.071 -2.634 19300
2487 1 17 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.498 0.105 19300
2488 1 17 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.685 -3.284 19300
2489 1 17 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.131 14.229 19300
2490 1 17 . 1 1 21 21 CYS H H 21 8.936 8.936 8.827 0.109 19300
2491 1 17 . 1 1 22 22 SER N N 22 124.898 124.898 124.179 0.719 19300
2492 1 17 . 1 1 22 22 SER HA H 22 4.458 4.458 4.474 -0.016 19300
2493 1 17 . 1 1 22 22 SER CA C 22 57.364 57.364 57.500 -0.136 19300
2494 1 17 . 1 1 22 22 SER CB C 22 63.430 63.430 63.179 0.251 19300
2495 1 17 . 1 1 22 22 SER H H 22 8.349 8.349 8.132 0.217 19300
2496 1 17 . 1 1 23 23 ARG N N 23 132.391 132.391 127.305 5.086 19300
2497 1 17 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.093 -0.091 19300
2498 1 17 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.566 -0.035 19300
2499 1 17 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.072 -0.471 19300
2500 1 17 . 1 1 23 23 ARG H H 23 9.009 9.009 8.368 0.641 19300
2501 1 17 . 1 1 24 24 ARG N N 24 117.241 117.241 116.816 0.425 19300
2502 1 17 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.182 -0.258 19300
2503 1 17 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.669 0.079 19300
2504 1 17 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.254 0.152 19300
2505 1 17 . 1 1 24 24 ARG H H 24 7.945 7.945 8.033 -0.088 19300
2506 1 17 . 1 1 25 25 HIS N N 25 111.143 111.143 115.231 -4.088 19300
2507 1 17 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.062 0.167 19300
2508 1 17 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.761 -1.810 19300
2509 1 17 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.963 -1.984 19300
2510 1 17 . 1 1 25 25 HIS H H 25 7.326 7.326 7.470 -0.144 19300
2511 1 17 . 1 1 26 26 GLY N N 26 106.585 106.585 106.339 0.246 19300
2512 1 17 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.908 1.684 19300
2513 1 17 . 1 1 26 26 GLY H H 26 8.257 8.257 8.236 0.021 19300
2514 1 17 . 1 1 27 27 TRP N N 27 114.076 114.076 117.064 -2.988 19300
2515 1 17 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.027 0.558 19300
2516 1 17 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.679 0.119 19300
2517 1 17 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.730 1.086 19300
2518 1 17 . 1 1 27 27 TRP H H 27 6.816 6.816 7.078 -0.262 19300
2519 1 17 . 1 1 28 28 CYS N N 28 120.417 120.417 122.038 -1.621 19300
2520 1 17 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.004 0.024 19300
2521 1 17 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.488 -4.341 19300
2522 1 17 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.244 16.342 19300
2523 1 17 . 1 1 28 28 CYS H H 28 8.856 8.856 9.163 -0.307 19300
2524 1 17 . 1 1 29 29 VAL N N 29 117.638 117.638 119.614 -1.976 19300
2525 1 17 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.790 0.138 19300
2526 1 17 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.246 1.101 19300
2527 1 17 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.021 1.506 19300
2528 1 17 . 1 1 29 29 VAL H H 29 9.648 9.648 9.049 0.599 19300
2529 1 17 . 1 1 30 30 TRP N N 30 120.857 120.857 121.549 -0.692 19300
2530 1 17 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.655 0.239 19300
2531 1 17 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.917 1.276 19300
2532 1 17 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.758 0.122 19300
2533 1 17 . 1 1 30 30 TRP H H 30 7.875 7.875 8.680 -0.805 19300
2534 1 17 . 1 1 31 31 ASP N N 31 122.575 122.575 124.128 -1.553 19300
2535 1 17 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.684 -0.160 19300
2536 1 17 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.316 -0.161 19300
2537 1 17 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.264 -0.732 19300
2538 1 17 . 1 1 31 31 ASP H H 31 8.813 8.813 8.375 0.438 19300
2539 1 17 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.890 -0.158 19300
2540 1 17 . 1 1 32 32 GLY H H 32 8.070 8.070 9.222 -1.152 19300
2541 1 17 . 1 1 33 33 THR N N 33 113.474 113.474 116.818 -3.344 19300
2542 1 17 . 1 1 33 33 THR HA H 33 4.311 4.311 4.586 -0.275 19300
2543 1 17 . 1 1 33 33 THR CA C 33 62.204 62.204 62.371 -0.168 19300
2544 1 17 . 1 1 33 33 THR CB C 33 70.173 70.173 69.980 0.193 19300
2545 1 17 . 1 1 33 33 THR H H 33 8.040 8.040 7.819 0.221 19300
2546 1 17 . 1 1 34 34 PHE N N 34 121.941 121.941 121.583 0.358 19300
2547 1 17 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.595 -0.025 19300
2548 1 17 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.206 0.696 19300
2549 1 17 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.233 0.441 19300
2550 1 17 . 1 1 34 34 PHE H H 34 8.282 8.282 8.073 0.209 19300
2551 1 18 . 1 1 2 2 CYS N N 2 120.737 120.737 119.198 1.539 19300
2552 1 18 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.637 0.187 19300
2553 1 18 . 1 1 2 2 CYS H H 2 8.701 8.701 8.256 0.445 19300
2554 1 18 . 1 1 3 3 ARG N N 3 120.701 120.701 122.558 -1.857 19300
2555 1 18 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.731 -0.353 19300
2556 1 18 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.187 2.967 19300
2557 1 18 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.355 -0.630 19300
2558 1 18 . 1 1 3 3 ARG H H 3 8.970 8.970 8.299 0.671 19300
2559 1 18 . 1 1 4 4 TYR N N 4 122.006 122.006 119.715 2.291 19300
2560 1 18 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.686 -0.396 19300
2561 1 18 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.278 1.058 19300
2562 1 18 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.079 0.018 19300
2563 1 18 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300
2564 1 18 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.183 -0.569 19300
2565 1 18 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.314 1.172 19300
2566 1 18 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.949 -0.289 19300
2567 1 18 . 1 1 6 6 LEU N N 6 121.148 121.148 120.771 0.377 19300
2568 1 18 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.037 -0.077 19300
2569 1 18 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.741 2.278 19300
2570 1 18 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.061 -0.810 19300
2571 1 18 . 1 1 6 6 LEU H H 6 8.701 8.701 8.590 0.111 19300
2572 1 18 . 1 1 7 7 GLY N N 7 110.200 110.200 107.045 3.155 19300
2573 1 18 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.273 -0.463 19300
2574 1 18 . 1 1 7 7 GLY H H 7 8.947 8.947 7.938 1.009 19300
2575 1 18 . 1 1 8 8 GLY N N 8 110.973 110.973 107.256 3.717 19300
2576 1 18 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.409 2.193 19300
2577 1 18 . 1 1 8 8 GLY H H 8 8.699 8.699 8.078 0.621 19300
2578 1 18 . 1 1 9 9 CYS N N 9 117.019 117.019 118.454 -1.435 19300
2579 1 18 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.677 0.535 19300
2580 1 18 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.941 -1.761 19300
2581 1 18 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.686 16.233 19300
2582 1 18 . 1 1 9 9 CYS H H 9 8.407 8.407 8.178 0.229 19300
2583 1 18 . 1 1 10 10 SER N N 10 116.524 116.524 115.028 1.496 19300
2584 1 18 . 1 1 10 10 SER HA H 10 4.384 4.384 4.443 -0.059 19300
2585 1 18 . 1 1 10 10 SER CA C 10 59.172 59.172 58.365 0.806 19300
2586 1 18 . 1 1 10 10 SER CB C 10 63.793 63.793 64.506 -0.713 19300
2587 1 18 . 1 1 10 10 SER H H 10 8.180 8.180 8.159 0.021 19300
2588 1 18 . 1 1 11 11 ALA N N 11 124.635 124.635 123.459 1.176 19300
2589 1 18 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.295 0.164 19300
2590 1 18 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.911 -1.246 19300
2591 1 18 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.626 -0.440 19300
2592 1 18 . 1 1 11 11 ALA H H 11 8.648 8.648 8.467 0.181 19300
2593 1 18 . 1 1 12 12 GLY N N 12 106.219 106.219 105.430 0.789 19300
2594 1 18 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.014 0.317 19300
2595 1 18 . 1 1 12 12 GLY H H 12 8.060 8.060 8.123 -0.063 19300
2596 1 18 . 1 1 13 13 GLN N N 13 121.578 121.578 119.884 1.694 19300
2597 1 18 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.630 -0.319 19300
2598 1 18 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.155 0.999 19300
2599 1 18 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.245 -2.566 19300
2600 1 18 . 1 1 13 13 GLN H H 13 8.394 8.394 7.368 1.026 19300
2601 1 18 . 1 1 14 14 THR N N 14 115.982 115.982 113.418 2.564 19300
2602 1 18 . 1 1 14 14 THR HA H 14 4.359 4.359 4.653 -0.294 19300
2603 1 18 . 1 1 14 14 THR CA C 14 61.622 61.622 61.113 0.509 19300
2604 1 18 . 1 1 14 14 THR CB C 14 70.762 70.762 71.650 -0.888 19300
2605 1 18 . 1 1 14 14 THR H H 14 8.310 8.310 8.303 0.007 19300
2606 1 18 . 1 1 15 15 CYS N N 15 123.244 123.244 119.923 3.321 19300
2607 1 18 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.861 0.197 19300
2608 1 18 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.613 -3.738 19300
2609 1 18 . 1 1 15 15 CYS CB C 15 41.213 41.213 29.059 12.154 19300
2610 1 18 . 1 1 15 15 CYS H H 15 8.996 8.996 8.482 0.514 19300
2611 1 18 . 1 1 16 16 CYS N N 16 121.708 121.708 122.840 -1.132 19300
2612 1 18 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.326 0.228 19300
2613 1 18 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.277 -6.467 19300
2614 1 18 . 1 1 16 16 CYS CB C 16 39.668 39.668 27.982 11.686 19300
2615 1 18 . 1 1 16 16 CYS H H 16 9.380 9.380 8.954 0.426 19300
2616 1 18 . 1 1 17 17 LYS N N 17 117.934 117.934 121.386 -3.452 19300
2617 1 18 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.154 -0.173 19300
2618 1 18 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.556 0.778 19300
2619 1 18 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.985 -0.470 19300
2620 1 18 . 1 1 17 17 LYS H H 17 7.931 7.931 8.713 -0.782 19300
2621 1 18 . 1 1 18 18 HIS N N 18 112.381 112.381 114.474 -2.093 19300
2622 1 18 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.367 0.013 19300
2623 1 18 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.458 -3.009 19300
2624 1 18 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.402 -2.567 19300
2625 1 18 . 1 1 18 18 HIS H H 18 8.601 8.601 8.850 -0.249 19300
2626 1 18 . 1 1 19 19 LEU N N 19 119.252 119.252 116.765 2.487 19300
2627 1 18 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.467 -0.168 19300
2628 1 18 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.587 0.436 19300
2629 1 18 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.879 -1.524 19300
2630 1 18 . 1 1 19 19 LEU H H 19 8.094 8.094 7.439 0.655 19300
2631 1 18 . 1 1 20 20 VAL N N 20 116.729 116.729 112.885 3.844 19300
2632 1 18 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.473 0.035 19300
2633 1 18 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.791 -0.530 19300
2634 1 18 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.645 0.258 19300
2635 1 18 . 1 1 20 20 VAL H H 20 9.548 9.548 8.627 0.921 19300
2636 1 18 . 1 1 21 21 CYS N N 21 123.437 123.437 125.983 -2.546 19300
2637 1 18 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.479 0.124 19300
2638 1 18 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.625 -3.224 19300
2639 1 18 . 1 1 21 21 CYS CB C 21 39.360 39.360 24.972 14.388 19300
2640 1 18 . 1 1 21 21 CYS H H 21 8.936 8.936 8.924 0.012 19300
2641 1 18 . 1 1 22 22 SER N N 22 124.898 124.898 122.707 2.191 19300
2642 1 18 . 1 1 22 22 SER HA H 22 4.458 4.458 4.438 0.020 19300
2643 1 18 . 1 1 22 22 SER CA C 22 57.364 57.364 57.950 -0.586 19300
2644 1 18 . 1 1 22 22 SER CB C 22 63.430 63.430 63.304 0.126 19300
2645 1 18 . 1 1 22 22 SER H H 22 8.349 8.349 8.124 0.225 19300
2646 1 18 . 1 1 23 23 ARG N N 23 132.391 132.391 127.741 4.650 19300
2647 1 18 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.107 -0.105 19300
2648 1 18 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.477 0.053 19300
2649 1 18 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.086 -0.485 19300
2650 1 18 . 1 1 23 23 ARG H H 23 9.009 9.009 8.404 0.605 19300
2651 1 18 . 1 1 24 24 ARG N N 24 117.241 117.241 116.913 0.328 19300
2652 1 18 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.186 -0.262 19300
2653 1 18 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.664 0.084 19300
2654 1 18 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.265 0.141 19300
2655 1 18 . 1 1 24 24 ARG H H 24 7.945 7.945 8.043 -0.098 19300
2656 1 18 . 1 1 25 25 HIS N N 25 111.143 111.143 115.236 -4.093 19300
2657 1 18 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.069 0.160 19300
2658 1 18 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.737 -1.786 19300
2659 1 18 . 1 1 25 25 HIS CB C 25 27.979 27.979 29.989 -2.010 19300
2660 1 18 . 1 1 25 25 HIS H H 25 7.326 7.326 7.464 -0.138 19300
2661 1 18 . 1 1 26 26 GLY N N 26 106.585 106.585 106.366 0.219 19300
2662 1 18 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.910 1.682 19300
2663 1 18 . 1 1 26 26 GLY H H 26 8.257 8.257 8.236 0.021 19300
2664 1 18 . 1 1 27 27 TRP N N 27 114.076 114.076 117.053 -2.977 19300
2665 1 18 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.027 0.558 19300
2666 1 18 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.677 0.121 19300
2667 1 18 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.727 1.089 19300
2668 1 18 . 1 1 27 27 TRP H H 27 6.816 6.816 7.078 -0.262 19300
2669 1 18 . 1 1 28 28 CYS N N 28 120.417 120.417 121.500 -1.083 19300
2670 1 18 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.948 0.080 19300
2671 1 18 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.068 -3.921 19300
2672 1 18 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.432 16.154 19300
2673 1 18 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300
2674 1 18 . 1 1 29 29 VAL N N 29 117.638 117.638 118.533 -0.895 19300
2675 1 18 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.869 0.059 19300
2676 1 18 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.090 0.257 19300
2677 1 18 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.794 0.733 19300
2678 1 18 . 1 1 29 29 VAL H H 29 9.648 9.648 9.016 0.632 19300
2679 1 18 . 1 1 30 30 TRP N N 30 120.857 120.857 121.850 -0.993 19300
2680 1 18 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.675 0.219 19300
2681 1 18 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.156 1.037 19300
2682 1 18 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.726 0.154 19300
2683 1 18 . 1 1 30 30 TRP H H 30 7.875 7.875 8.701 -0.826 19300
2684 1 18 . 1 1 31 31 ASP N N 31 122.575 122.575 124.401 -1.826 19300
2685 1 18 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.685 -0.161 19300
2686 1 18 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.439 -0.284 19300
2687 1 18 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.268 -0.736 19300
2688 1 18 . 1 1 31 31 ASP H H 31 8.813 8.813 8.395 0.418 19300
2689 1 18 . 1 1 32 32 GLY CA C 32 45.732 45.732 46.007 -0.275 19300
2690 1 18 . 1 1 32 32 GLY H H 32 8.070 8.070 9.214 -1.144 19300
2691 1 18 . 1 1 33 33 THR N N 33 113.474 113.474 116.953 -3.479 19300
2692 1 18 . 1 1 33 33 THR HA H 33 4.311 4.311 4.571 -0.260 19300
2693 1 18 . 1 1 33 33 THR CA C 33 62.204 62.204 62.082 0.122 19300
2694 1 18 . 1 1 33 33 THR CB C 33 70.173 70.173 70.078 0.095 19300
2695 1 18 . 1 1 33 33 THR H H 33 8.040 8.040 7.791 0.249 19300
2696 1 18 . 1 1 34 34 PHE N N 34 121.941 121.941 121.847 0.094 19300
2697 1 18 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.578 -0.008 19300
2698 1 18 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.239 0.663 19300
2699 1 18 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.057 0.617 19300
2700 1 18 . 1 1 34 34 PHE H H 34 8.282 8.282 8.139 0.143 19300
2701 1 19 . 1 1 2 2 CYS N N 2 120.737 120.737 118.869 1.868 19300
2702 1 19 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.575 0.249 19300
2703 1 19 . 1 1 2 2 CYS H H 2 8.701 8.701 8.349 0.352 19300
2704 1 19 . 1 1 3 3 ARG N N 3 120.701 120.701 122.603 -1.902 19300
2705 1 19 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.732 -0.354 19300
2706 1 19 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.195 2.959 19300
2707 1 19 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.329 -0.604 19300
2708 1 19 . 1 1 3 3 ARG H H 3 8.970 8.970 8.306 0.664 19300
2709 1 19 . 1 1 4 4 TYR N N 4 122.006 122.006 119.756 2.250 19300
2710 1 19 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.682 -0.392 19300
2711 1 19 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.279 1.057 19300
2712 1 19 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.077 0.021 19300
2713 1 19 . 1 1 4 4 TYR H H 4 8.190 8.190 8.004 0.186 19300
2714 1 19 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.220 -0.606 19300
2715 1 19 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.340 1.147 19300
2716 1 19 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.978 -0.318 19300
2717 1 19 . 1 1 6 6 LEU N N 6 121.148 121.148 120.818 0.330 19300
2718 1 19 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.050 -0.090 19300
2719 1 19 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.757 2.262 19300
2720 1 19 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.086 -0.835 19300
2721 1 19 . 1 1 6 6 LEU H H 6 8.701 8.701 8.622 0.079 19300
2722 1 19 . 1 1 7 7 GLY N N 7 110.200 110.200 107.600 2.600 19300
2723 1 19 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.317 -0.507 19300
2724 1 19 . 1 1 7 7 GLY H H 7 8.947 8.947 7.984 0.963 19300
2725 1 19 . 1 1 8 8 GLY N N 8 110.973 110.973 106.823 4.150 19300
2726 1 19 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.603 1.999 19300
2727 1 19 . 1 1 8 8 GLY H H 8 8.699 8.699 8.005 0.694 19300
2728 1 19 . 1 1 9 9 CYS N N 9 117.019 117.019 117.872 -0.853 19300
2729 1 19 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.669 0.543 19300
2730 1 19 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.486 -1.306 19300
2731 1 19 . 1 1 9 9 CYS CB C 9 44.919 44.919 28.931 15.988 19300
2732 1 19 . 1 1 9 9 CYS H H 9 8.407 8.407 8.151 0.256 19300
2733 1 19 . 1 1 10 10 SER N N 10 116.524 116.524 115.068 1.456 19300
2734 1 19 . 1 1 10 10 SER HA H 10 4.384 4.384 4.439 -0.055 19300
2735 1 19 . 1 1 10 10 SER CA C 10 59.172 59.172 58.472 0.700 19300
2736 1 19 . 1 1 10 10 SER CB C 10 63.793 63.793 64.497 -0.704 19300
2737 1 19 . 1 1 10 10 SER H H 10 8.180 8.180 8.139 0.041 19300
2738 1 19 . 1 1 11 11 ALA N N 11 124.635 124.635 124.762 -0.127 19300
2739 1 19 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.333 0.126 19300
2740 1 19 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.730 -1.065 19300
2741 1 19 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.503 -0.317 19300
2742 1 19 . 1 1 11 11 ALA H H 11 8.648 8.648 8.457 0.191 19300
2743 1 19 . 1 1 12 12 GLY N N 12 106.219 106.219 105.571 0.648 19300
2744 1 19 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.099 0.232 19300
2745 1 19 . 1 1 12 12 GLY H H 12 8.060 8.060 8.292 -0.232 19300
2746 1 19 . 1 1 13 13 GLN N N 13 121.578 121.578 119.796 1.782 19300
2747 1 19 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.756 -0.445 19300
2748 1 19 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.199 0.955 19300
2749 1 19 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.568 -2.889 19300
2750 1 19 . 1 1 13 13 GLN H H 13 8.394 8.394 7.406 0.988 19300
2751 1 19 . 1 1 14 14 THR N N 14 115.982 115.982 113.434 2.548 19300
2752 1 19 . 1 1 14 14 THR HA H 14 4.359 4.359 4.633 -0.274 19300
2753 1 19 . 1 1 14 14 THR CA C 14 61.622 61.622 61.148 0.474 19300
2754 1 19 . 1 1 14 14 THR CB C 14 70.762 70.762 71.728 -0.966 19300
2755 1 19 . 1 1 14 14 THR H H 14 8.310 8.310 8.332 -0.022 19300
2756 1 19 . 1 1 15 15 CYS N N 15 123.244 123.244 119.921 3.323 19300
2757 1 19 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.863 0.195 19300
2758 1 19 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.572 -3.697 19300
2759 1 19 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.987 12.226 19300
2760 1 19 . 1 1 15 15 CYS H H 15 8.996 8.996 8.559 0.437 19300
2761 1 19 . 1 1 16 16 CYS N N 16 121.708 121.708 122.868 -1.160 19300
2762 1 19 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.294 0.260 19300
2763 1 19 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.268 -6.458 19300
2764 1 19 . 1 1 16 16 CYS CB C 16 39.668 39.668 27.980 11.688 19300
2765 1 19 . 1 1 16 16 CYS H H 16 9.380 9.380 8.949 0.431 19300
2766 1 19 . 1 1 17 17 LYS N N 17 117.934 117.934 121.351 -3.417 19300
2767 1 19 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.032 -0.051 19300
2768 1 19 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.453 0.881 19300
2769 1 19 . 1 1 17 17 LYS CB C 17 32.515 32.515 32.726 -0.211 19300
2770 1 19 . 1 1 17 17 LYS H H 17 7.931 7.931 8.604 -0.673 19300
2771 1 19 . 1 1 18 18 HIS N N 18 112.381 112.381 113.311 -0.930 19300
2772 1 19 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.365 0.015 19300
2773 1 19 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.245 -2.796 19300
2774 1 19 . 1 1 18 18 HIS CB C 18 26.835 26.835 28.369 -1.534 19300
2775 1 19 . 1 1 18 18 HIS H H 18 8.601 8.601 8.726 -0.125 19300
2776 1 19 . 1 1 19 19 LEU N N 19 119.252 119.252 117.383 1.869 19300
2777 1 19 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.605 -0.306 19300
2778 1 19 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.665 0.358 19300
2779 1 19 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.976 -1.621 19300
2780 1 19 . 1 1 19 19 LEU H H 19 8.094 8.094 7.454 0.640 19300
2781 1 19 . 1 1 20 20 VAL N N 20 116.729 116.729 113.712 3.017 19300
2782 1 19 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.632 -0.124 19300
2783 1 19 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.649 -0.388 19300
2784 1 19 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.957 -0.054 19300
2785 1 19 . 1 1 20 20 VAL H H 20 9.548 9.548 8.994 0.554 19300
2786 1 19 . 1 1 21 21 CYS N N 21 123.437 123.437 126.119 -2.682 19300
2787 1 19 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.528 0.075 19300
2788 1 19 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.855 -3.454 19300
2789 1 19 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.096 14.264 19300
2790 1 19 . 1 1 21 21 CYS H H 21 8.936 8.936 8.934 0.002 19300
2791 1 19 . 1 1 22 22 SER N N 22 124.898 124.898 122.766 2.132 19300
2792 1 19 . 1 1 22 22 SER HA H 22 4.458 4.458 4.366 0.092 19300
2793 1 19 . 1 1 22 22 SER CA C 22 57.364 57.364 57.674 -0.310 19300
2794 1 19 . 1 1 22 22 SER CB C 22 63.430 63.430 63.327 0.103 19300
2795 1 19 . 1 1 22 22 SER H H 22 8.349 8.349 8.146 0.203 19300
2796 1 19 . 1 1 23 23 ARG N N 23 132.391 132.391 127.691 4.700 19300
2797 1 19 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.088 -0.086 19300
2798 1 19 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.478 0.053 19300
2799 1 19 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.000 -0.399 19300
2800 1 19 . 1 1 23 23 ARG H H 23 9.009 9.009 8.280 0.729 19300
2801 1 19 . 1 1 24 24 ARG N N 24 117.241 117.241 117.050 0.191 19300
2802 1 19 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.153 -0.229 19300
2803 1 19 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.621 0.127 19300
2804 1 19 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.063 0.343 19300
2805 1 19 . 1 1 24 24 ARG H H 24 7.945 7.945 7.987 -0.042 19300
2806 1 19 . 1 1 25 25 HIS N N 25 111.143 111.143 115.082 -3.939 19300
2807 1 19 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.066 0.163 19300
2808 1 19 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.557 -1.606 19300
2809 1 19 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.082 -2.103 19300
2810 1 19 . 1 1 25 25 HIS H H 25 7.326 7.326 7.382 -0.056 19300
2811 1 19 . 1 1 26 26 GLY N N 26 106.585 106.585 106.403 0.182 19300
2812 1 19 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.916 1.676 19300
2813 1 19 . 1 1 26 26 GLY H H 26 8.257 8.257 8.248 0.009 19300
2814 1 19 . 1 1 27 27 TRP N N 27 114.076 114.076 117.051 -2.975 19300
2815 1 19 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.037 0.548 19300
2816 1 19 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.704 0.094 19300
2817 1 19 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.730 1.086 19300
2818 1 19 . 1 1 27 27 TRP H H 27 6.816 6.816 7.087 -0.271 19300
2819 1 19 . 1 1 28 28 CYS N N 28 120.417 120.417 121.848 -1.431 19300
2820 1 19 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.030 -0.002 19300
2821 1 19 . 1 1 28 28 CYS CA C 28 56.147 56.147 59.901 -3.754 19300
2822 1 19 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.606 15.980 19300
2823 1 19 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300
2824 1 19 . 1 1 29 29 VAL N N 29 117.638 117.638 118.261 -0.623 19300
2825 1 19 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.945 -0.017 19300
2826 1 19 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.491 -0.144 19300
2827 1 19 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.988 0.539 19300
2828 1 19 . 1 1 29 29 VAL H H 29 9.648 9.648 9.278 0.370 19300
2829 1 19 . 1 1 30 30 TRP N N 30 120.857 120.857 122.168 -1.311 19300
2830 1 19 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.696 0.198 19300
2831 1 19 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.911 1.282 19300
2832 1 19 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.489 0.390 19300
2833 1 19 . 1 1 30 30 TRP H H 30 7.875 7.875 8.823 -0.948 19300
2834 1 19 . 1 1 31 31 ASP N N 31 122.575 122.575 124.411 -1.836 19300
2835 1 19 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.942 -0.418 19300
2836 1 19 . 1 1 31 31 ASP CA C 31 54.155 54.155 55.094 -0.939 19300
2837 1 19 . 1 1 31 31 ASP CB C 31 40.532 40.532 40.897 -0.365 19300
2838 1 19 . 1 1 31 31 ASP H H 31 8.813 8.813 8.496 0.317 19300
2839 1 19 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.472 0.259 19300
2840 1 19 . 1 1 32 32 GLY H H 32 8.070 8.070 8.124 -0.054 19300
2841 1 19 . 1 1 33 33 THR N N 33 113.474 113.474 118.285 -4.811 19300
2842 1 19 . 1 1 33 33 THR HA H 33 4.311 4.311 4.449 -0.138 19300
2843 1 19 . 1 1 33 33 THR CA C 33 62.204 62.204 60.552 1.652 19300
2844 1 19 . 1 1 33 33 THR CB C 33 70.173 70.173 69.457 0.716 19300
2845 1 19 . 1 1 33 33 THR H H 33 8.040 8.040 7.700 0.340 19300
2846 1 19 . 1 1 34 34 PHE N N 34 121.941 121.941 120.076 1.865 19300
2847 1 19 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.694 -0.124 19300
2848 1 19 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.198 0.704 19300
2849 1 19 . 1 1 34 34 PHE CB C 34 39.674 39.674 38.912 0.762 19300
2850 1 19 . 1 1 34 34 PHE H H 34 8.282 8.282 7.117 1.165 19300
2851 1 20 . 1 1 2 2 CYS N N 2 120.737 120.737 118.962 1.775 19300
2852 1 20 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.630 0.194 19300
2853 1 20 . 1 1 2 2 CYS H H 2 8.701 8.701 8.364 0.337 19300
2854 1 20 . 1 1 3 3 ARG N N 3 120.701 120.701 122.548 -1.847 19300
2855 1 20 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.742 -0.364 19300
2856 1 20 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.190 2.964 19300
2857 1 20 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.388 -0.663 19300
2858 1 20 . 1 1 3 3 ARG H H 3 8.970 8.970 8.305 0.665 19300
2859 1 20 . 1 1 4 4 TYR N N 4 122.006 122.006 119.693 2.313 19300
2860 1 20 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.690 -0.400 19300
2861 1 20 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.261 1.075 19300
2862 1 20 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.094 0.003 19300
2863 1 20 . 1 1 4 4 TYR H H 4 8.190 8.190 8.037 0.153 19300
2864 1 20 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.182 -0.568 19300
2865 1 20 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.290 1.196 19300
2866 1 20 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.925 -0.265 19300
2867 1 20 . 1 1 6 6 LEU N N 6 121.148 121.148 120.830 0.318 19300
2868 1 20 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.036 -0.076 19300
2869 1 20 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.737 2.282 19300
2870 1 20 . 1 1 6 6 LEU CB C 6 38.251 38.251 39.059 -0.809 19300
2871 1 20 . 1 1 6 6 LEU H H 6 8.701 8.701 8.593 0.108 19300
2872 1 20 . 1 1 7 7 GLY N N 7 110.200 110.200 106.732 3.468 19300
2873 1 20 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.373 -0.563 19300
2874 1 20 . 1 1 7 7 GLY H H 7 8.947 8.947 8.064 0.883 19300
2875 1 20 . 1 1 8 8 GLY N N 8 110.973 110.973 106.284 4.689 19300
2876 1 20 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.339 2.263 19300
2877 1 20 . 1 1 8 8 GLY H H 8 8.699 8.699 7.945 0.754 19300
2878 1 20 . 1 1 9 9 CYS N N 9 117.019 117.019 117.643 -0.624 19300
2879 1 20 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.654 0.558 19300
2880 1 20 . 1 1 9 9 CYS CA C 9 55.180 55.180 56.920 -1.740 19300
2881 1 20 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.230 15.690 19300
2882 1 20 . 1 1 9 9 CYS H H 9 8.407 8.407 8.173 0.234 19300
2883 1 20 . 1 1 10 10 SER N N 10 116.524 116.524 115.227 1.297 19300
2884 1 20 . 1 1 10 10 SER HA H 10 4.384 4.384 4.463 -0.079 19300
2885 1 20 . 1 1 10 10 SER CA C 10 59.172 59.172 58.093 1.079 19300
2886 1 20 . 1 1 10 10 SER CB C 10 63.793 63.793 64.488 -0.695 19300
2887 1 20 . 1 1 10 10 SER H H 10 8.180 8.180 8.104 0.076 19300
2888 1 20 . 1 1 11 11 ALA N N 11 124.635 124.635 123.896 0.739 19300
2889 1 20 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.322 0.137 19300
2890 1 20 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.821 -1.156 19300
2891 1 20 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.715 -0.529 19300
2892 1 20 . 1 1 11 11 ALA H H 11 8.648 8.648 8.431 0.217 19300
2893 1 20 . 1 1 12 12 GLY N N 12 106.219 106.219 105.702 0.517 19300
2894 1 20 . 1 1 12 12 GLY CA C 12 45.331 45.331 44.807 0.524 19300
2895 1 20 . 1 1 12 12 GLY H H 12 8.060 8.060 7.957 0.103 19300
2896 1 20 . 1 1 13 13 GLN N N 13 121.578 121.578 119.764 1.814 19300
2897 1 20 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.642 -0.331 19300
2898 1 20 . 1 1 13 13 GLN CA C 13 56.154 56.154 54.970 1.184 19300
2899 1 20 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.326 -2.647 19300
2900 1 20 . 1 1 13 13 GLN H H 13 8.394 8.394 7.372 1.022 19300
2901 1 20 . 1 1 14 14 THR N N 14 115.982 115.982 113.464 2.518 19300
2902 1 20 . 1 1 14 14 THR HA H 14 4.359 4.359 4.627 -0.268 19300
2903 1 20 . 1 1 14 14 THR CA C 14 61.622 61.622 61.120 0.502 19300
2904 1 20 . 1 1 14 14 THR CB C 14 70.762 70.762 71.757 -0.995 19300
2905 1 20 . 1 1 14 14 THR H H 14 8.310 8.310 8.346 -0.036 19300
2906 1 20 . 1 1 15 15 CYS N N 15 123.244 123.244 119.974 3.270 19300
2907 1 20 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.850 0.208 19300
2908 1 20 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.389 -3.514 19300
2909 1 20 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.940 12.273 19300
2910 1 20 . 1 1 15 15 CYS H H 15 8.996 8.996 8.584 0.412 19300
2911 1 20 . 1 1 16 16 CYS N N 16 121.708 121.708 122.732 -1.024 19300
2912 1 20 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.369 0.185 19300
2913 1 20 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.547 -6.737 19300
2914 1 20 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.328 11.340 19300
2915 1 20 . 1 1 16 16 CYS H H 16 9.380 9.380 8.766 0.614 19300
2916 1 20 . 1 1 17 17 LYS N N 17 117.934 117.934 121.455 -3.521 19300
2917 1 20 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.138 -0.157 19300
2918 1 20 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.785 0.549 19300
2919 1 20 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.087 -0.572 19300
2920 1 20 . 1 1 17 17 LYS H H 17 7.931 7.931 8.704 -0.773 19300
2921 1 20 . 1 1 18 18 HIS N N 18 112.381 112.381 114.434 -2.053 19300
2922 1 20 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.374 0.006 19300
2923 1 20 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.551 -3.102 19300
2924 1 20 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.437 -2.602 19300
2925 1 20 . 1 1 18 18 HIS H H 18 8.601 8.601 8.829 -0.228 19300
2926 1 20 . 1 1 19 19 LEU N N 19 119.252 119.252 116.801 2.451 19300
2927 1 20 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.468 -0.169 19300
2928 1 20 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.567 0.456 19300
2929 1 20 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.836 -1.481 19300
2930 1 20 . 1 1 19 19 LEU H H 19 8.094 8.094 7.437 0.657 19300
2931 1 20 . 1 1 20 20 VAL N N 20 116.729 116.729 112.889 3.840 19300
2932 1 20 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.460 0.048 19300
2933 1 20 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.686 -0.425 19300
2934 1 20 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.547 0.356 19300
2935 1 20 . 1 1 20 20 VAL H H 20 9.548 9.548 8.705 0.843 19300
2936 1 20 . 1 1 21 21 CYS N N 21 123.437 123.437 126.132 -2.695 19300
2937 1 20 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.492 0.111 19300
2938 1 20 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.732 -3.331 19300
2939 1 20 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.139 14.221 19300
2940 1 20 . 1 1 21 21 CYS H H 21 8.936 8.936 8.822 0.114 19300
2941 1 20 . 1 1 22 22 SER N N 22 124.898 124.898 122.936 1.962 19300
2942 1 20 . 1 1 22 22 SER HA H 22 4.458 4.458 4.454 0.004 19300
2943 1 20 . 1 1 22 22 SER CA C 22 57.364 57.364 57.870 -0.506 19300
2944 1 20 . 1 1 22 22 SER CB C 22 63.430 63.430 63.093 0.337 19300
2945 1 20 . 1 1 22 22 SER H H 22 8.349 8.349 8.098 0.251 19300
2946 1 20 . 1 1 23 23 ARG N N 23 132.391 132.391 127.295 5.096 19300
2947 1 20 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.112 -0.110 19300
2948 1 20 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.425 0.105 19300
2949 1 20 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.045 -0.444 19300
2950 1 20 . 1 1 23 23 ARG H H 23 9.009 9.009 8.357 0.652 19300
2951 1 20 . 1 1 24 24 ARG N N 24 117.241 117.241 116.847 0.394 19300
2952 1 20 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.201 -0.277 19300
2953 1 20 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.641 0.107 19300
2954 1 20 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.335 0.071 19300
2955 1 20 . 1 1 24 24 ARG H H 24 7.945 7.945 8.006 -0.061 19300
2956 1 20 . 1 1 25 25 HIS N N 25 111.143 111.143 115.242 -4.099 19300
2957 1 20 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.087 0.142 19300
2958 1 20 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.661 -1.710 19300
2959 1 20 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.092 -2.113 19300
2960 1 20 . 1 1 25 25 HIS H H 25 7.326 7.326 7.438 -0.112 19300
2961 1 20 . 1 1 26 26 GLY N N 26 106.585 106.585 106.469 0.116 19300
2962 1 20 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.929 1.663 19300
2963 1 20 . 1 1 26 26 GLY H H 26 8.257 8.257 8.279 -0.022 19300
2964 1 20 . 1 1 27 27 TRP N N 27 114.076 114.076 117.058 -2.982 19300
2965 1 20 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.025 0.560 19300
2966 1 20 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.699 0.099 19300
2967 1 20 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.721 1.095 19300
2968 1 20 . 1 1 27 27 TRP H H 27 6.816 6.816 7.075 -0.259 19300
2969 1 20 . 1 1 28 28 CYS N N 28 120.417 120.417 121.906 -1.489 19300
2970 1 20 . 1 1 28 28 CYS HA H 28 5.028 5.028 5.012 0.016 19300
2971 1 20 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.467 -4.320 19300
2972 1 20 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.272 16.314 19300
2973 1 20 . 1 1 28 28 CYS H H 28 8.856 8.856 9.168 -0.312 19300
2974 1 20 . 1 1 29 29 VAL N N 29 117.638 117.638 119.564 -1.926 19300
2975 1 20 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.789 0.139 19300
2976 1 20 . 1 1 29 29 VAL CA C 29 59.347 59.347 58.338 1.009 19300
2977 1 20 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.029 1.498 19300
2978 1 20 . 1 1 29 29 VAL H H 29 9.648 9.648 9.044 0.604 19300
2979 1 20 . 1 1 30 30 TRP N N 30 120.857 120.857 121.547 -0.690 19300
2980 1 20 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.659 0.235 19300
2981 1 20 . 1 1 30 30 TRP CA C 30 58.193 58.193 57.010 1.183 19300
2982 1 20 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.709 0.171 19300
2983 1 20 . 1 1 30 30 TRP H H 30 7.875 7.875 8.715 -0.840 19300
2984 1 20 . 1 1 31 31 ASP N N 31 122.575 122.575 123.991 -1.416 19300
2985 1 20 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.688 -0.164 19300
2986 1 20 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.464 -0.309 19300
2987 1 20 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.390 -0.858 19300
2988 1 20 . 1 1 31 31 ASP H H 31 8.813 8.813 8.423 0.390 19300
2989 1 20 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.796 -0.064 19300
2990 1 20 . 1 1 32 32 GLY H H 32 8.070 8.070 9.210 -1.140 19300
2991 1 20 . 1 1 33 33 THR N N 33 113.474 113.474 116.802 -3.328 19300
2992 1 20 . 1 1 33 33 THR HA H 33 4.311 4.311 4.637 -0.326 19300
2993 1 20 . 1 1 33 33 THR CA C 33 62.204 62.204 61.953 0.251 19300
2994 1 20 . 1 1 33 33 THR CB C 33 70.173 70.173 69.814 0.359 19300
2995 1 20 . 1 1 33 33 THR H H 33 8.040 8.040 7.875 0.165 19300
2996 1 20 . 1 1 34 34 PHE N N 34 121.941 121.941 121.495 0.446 19300
2997 1 20 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.583 -0.013 19300
2998 1 20 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.140 0.762 19300
2999 1 20 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.294 0.380 19300
3000 1 20 . 1 1 34 34 PHE H H 34 8.282 8.282 8.172 0.110 19300
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 31 2.393 -0.197 2.424 19300
2 1 1 "Average Difference" HA 38 0.272 -0.009 0.276 19300
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19300
4 1 1 "Average Difference" CA 32 1.964 0.320 1.969 19300
5 1 1 "Average Difference" CB 27 6.260 -2.200 5.972 19300
6 1 1 "Average Difference" HN 32 0.517 -0.168 0.497 19300
7 1 2 "Average Difference" N 31 2.314 -0.239 2.340 19300
8 1 2 "Average Difference" HA 38 0.283 -0.025 0.285 19300
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19300
10 1 2 "Average Difference" CA 32 2.015 0.343 2.017 19300
11 1 2 "Average Difference" CB 27 6.218 -2.240 5.911 19300
12 1 2 "Average Difference" HN 32 0.513 -0.188 0.485 19300
13 1 3 "Average Difference" N 31 2.465 -0.237 2.494 19300
14 1 3 "Average Difference" HA 38 0.276 -0.016 0.280 19300
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19300
16 1 3 "Average Difference" CA 32 1.959 0.290 1.968 19300
17 1 3 "Average Difference" CB 27 6.144 -2.147 5.866 19300
18 1 3 "Average Difference" HN 32 0.519 -0.145 0.506 19300
19 1 4 "Average Difference" N 31 2.422 -0.311 2.441 19300
20 1 4 "Average Difference" HA 38 0.274 -0.011 0.277 19300
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19300
22 1 4 "Average Difference" CA 32 1.951 0.308 1.957 19300
23 1 4 "Average Difference" CB 27 6.175 -2.198 5.880 19300
24 1 4 "Average Difference" HN 32 0.512 -0.166 0.492 19300
25 1 5 "Average Difference" N 31 2.466 -0.354 2.480 19300
26 1 5 "Average Difference" HA 38 0.280 -0.030 0.282 19300
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19300
28 1 5 "Average Difference" CA 32 1.952 0.313 1.957 19300
29 1 5 "Average Difference" CB 27 6.085 -2.134 5.807 19300
30 1 5 "Average Difference" HN 32 0.536 -0.154 0.522 19300
31 1 6 "Average Difference" N 31 2.441 -0.303 2.462 19300
32 1 6 "Average Difference" HA 38 0.280 -0.022 0.283 19300
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19300
34 1 6 "Average Difference" CA 32 2.013 0.322 2.019 19300
35 1 6 "Average Difference" CB 27 6.176 -2.211 5.877 19300
36 1 6 "Average Difference" HN 32 0.520 -0.178 0.496 19300
37 1 7 "Average Difference" N 31 2.489 -0.413 2.495 19300
38 1 7 "Average Difference" HA 38 0.284 0.002 0.288 19300
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19300
40 1 7 "Average Difference" CA 32 1.978 0.227 1.997 19300
41 1 7 "Average Difference" CB 27 6.160 -2.243 5.846 19300
42 1 7 "Average Difference" HN 32 0.503 -0.234 0.453 19300
43 1 8 "Average Difference" N 31 2.505 -0.411 2.512 19300
44 1 8 "Average Difference" HA 38 0.276 -0.019 0.279 19300
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19300
46 1 8 "Average Difference" CA 32 1.977 0.355 1.976 19300
47 1 8 "Average Difference" CB 27 6.207 -2.188 5.919 19300
48 1 8 "Average Difference" HN 32 0.534 -0.180 0.511 19300
49 1 9 "Average Difference" N 31 2.402 -0.275 2.426 19300
50 1 9 "Average Difference" HA 38 0.277 -0.018 0.280 19300
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19300
52 1 9 "Average Difference" CA 32 1.950 0.270 1.962 19300
53 1 9 "Average Difference" CB 27 6.248 -2.201 5.959 19300
54 1 9 "Average Difference" HN 32 0.521 -0.156 0.505 19300
55 1 10 "Average Difference" N 31 2.593 -0.446 2.597 19300
56 1 10 "Average Difference" HA 38 0.271 -0.023 0.273 19300
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19300
58 1 10 "Average Difference" CA 32 1.948 0.328 1.951 19300
59 1 10 "Average Difference" CB 27 6.240 -2.182 5.958 19300
60 1 10 "Average Difference" HN 32 0.523 -0.162 0.505 19300
61 1 11 "Average Difference" N 31 2.396 -0.315 2.415 19300
62 1 11 "Average Difference" HA 38 0.267 -0.011 0.270 19300
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19300
64 1 11 "Average Difference" CA 32 2.014 0.288 2.025 19300
65 1 11 "Average Difference" CB 27 6.177 -2.192 5.885 19300
66 1 11 "Average Difference" HN 32 0.529 -0.147 0.516 19300
67 1 12 "Average Difference" N 31 2.369 -0.266 2.393 19300
68 1 12 "Average Difference" HA 38 0.270 -0.020 0.273 19300
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19300
70 1 12 "Average Difference" CA 32 1.943 0.318 1.948 19300
71 1 12 "Average Difference" CB 27 6.236 -2.187 5.952 19300
72 1 12 "Average Difference" HN 32 0.510 -0.154 0.494 19300
73 1 13 "Average Difference" N 31 2.568 -0.367 2.584 19300
74 1 13 "Average Difference" HA 38 0.277 -0.013 0.281 19300
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19300
76 1 13 "Average Difference" CA 32 1.941 0.278 1.952 19300
77 1 13 "Average Difference" CB 27 6.150 -2.169 5.864 19300
78 1 13 "Average Difference" HN 32 0.534 -0.171 0.514 19300
79 1 14 "Average Difference" N 31 2.454 -0.395 2.462 19300
80 1 14 "Average Difference" HA 38 0.277 -0.026 0.279 19300
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19300
82 1 14 "Average Difference" CA 32 2.054 0.364 2.054 19300
83 1 14 "Average Difference" CB 27 6.081 -2.139 5.801 19300
84 1 14 "Average Difference" HN 32 0.523 -0.160 0.506 19300
85 1 15 "Average Difference" N 31 2.461 -0.322 2.480 19300
86 1 15 "Average Difference" HA 38 0.272 -0.022 0.275 19300
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19300
88 1 15 "Average Difference" CA 32 2.066 0.358 2.067 19300
89 1 15 "Average Difference" CB 27 6.239 -2.240 5.934 19300
90 1 15 "Average Difference" HN 32 0.540 -0.170 0.521 19300
91 1 16 "Average Difference" N 31 2.483 -0.323 2.502 19300
92 1 16 "Average Difference" HA 38 0.276 -0.026 0.278 19300
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19300
94 1 16 "Average Difference" CA 32 2.026 0.301 2.035 19300
95 1 16 "Average Difference" CB 27 6.105 -2.217 5.796 19300
96 1 16 "Average Difference" HN 32 0.527 -0.161 0.510 19300
97 1 17 "Average Difference" N 31 2.425 -0.217 2.455 19300
98 1 17 "Average Difference" HA 38 0.273 -0.011 0.276 19300
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19300
100 1 17 "Average Difference" CA 32 1.981 0.260 1.995 19300
101 1 17 "Average Difference" CB 27 6.273 -2.236 5.972 19300
102 1 17 "Average Difference" HN 32 0.522 -0.172 0.501 19300
103 1 18 "Average Difference" N 31 2.392 -0.260 2.417 19300
104 1 18 "Average Difference" HA 38 0.274 -0.010 0.278 19300
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19300
106 1 18 "Average Difference" CA 32 2.000 0.305 2.008 19300
107 1 18 "Average Difference" CB 27 6.210 -2.212 5.913 19300
108 1 18 "Average Difference" HN 32 0.527 -0.171 0.506 19300
109 1 19 "Average Difference" N 31 2.404 -0.223 2.433 19300
110 1 19 "Average Difference" HA 38 0.291 -0.008 0.295 19300
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19300
112 1 19 "Average Difference" CA 32 1.990 0.236 2.007 19300
113 1 19 "Average Difference" CB 27 6.159 -2.266 5.836 19300
114 1 19 "Average Difference" HN 32 0.502 -0.216 0.460 19300
115 1 20 "Average Difference" N 31 2.477 -0.301 2.500 19300
116 1 20 "Average Difference" HA 38 0.279 -0.013 0.283 19300
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19300
118 1 20 "Average Difference" CA 32 2.065 0.257 2.081 19300
119 1 20 "Average Difference" CB 27 6.153 -2.201 5.856 19300
120 1 20 "Average Difference" HN 32 0.521 -0.174 0.499 19300
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 19300
_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 2 120.737 120.737 119.020 1.717 19300
2 1 . 1 1 2 2 CYS HA H 2 4.824 4.824 4.606 0.218 19300
3 1 . 1 1 2 2 CYS H H 2 8.701 8.701 8.310 0.391 19300
4 1 . 1 1 3 3 ARG N N 3 120.701 120.701 122.582 -1.881 19300
5 1 . 1 1 3 3 ARG HA H 3 4.378 4.378 4.729 -0.351 19300
6 1 . 1 1 3 3 ARG CA C 3 58.154 58.154 55.189 2.965 19300
7 1 . 1 1 3 3 ARG CB C 3 31.725 31.725 32.334 -0.609 19300
8 1 . 1 1 3 3 ARG H H 3 8.970 8.970 8.304 0.666 19300
9 1 . 1 1 4 4 TYR N N 4 122.006 122.006 119.748 2.258 19300
10 1 . 1 1 4 4 TYR HA H 4 4.290 4.290 4.678 -0.388 19300
11 1 . 1 1 4 4 TYR CA C 4 56.336 56.336 55.288 1.048 19300
12 1 . 1 1 4 4 TYR CB C 4 39.097 39.097 39.067 0.030 19300
13 1 . 1 1 4 4 TYR H H 4 8.190 8.190 8.002 0.188 19300
14 1 . 1 1 5 5 TRP HA H 5 3.614 3.614 4.190 -0.575 19300
15 1 . 1 1 5 5 TRP CA C 5 59.486 59.486 58.323 1.163 19300
16 1 . 1 1 5 5 TRP CB C 5 28.660 28.660 28.961 -0.301 19300
17 1 . 1 1 6 6 LEU N N 6 121.148 121.148 120.447 0.701 19300
18 1 . 1 1 6 6 LEU HA H 6 2.960 2.960 3.051 -0.091 19300
19 1 . 1 1 6 6 LEU CA C 6 57.019 57.019 54.819 2.200 19300
20 1 . 1 1 6 6 LEU CB C 6 38.251 38.251 38.998 -0.747 19300
21 1 . 1 1 6 6 LEU H H 6 8.701 8.701 8.569 0.132 19300
22 1 . 1 1 7 7 GLY N N 7 110.200 110.200 106.391 3.809 19300
23 1 . 1 1 7 7 GLY CA C 7 44.810 44.810 45.246 -0.436 19300
24 1 . 1 1 7 7 GLY H H 7 8.947 8.947 7.937 1.010 19300
25 1 . 1 1 8 8 GLY N N 8 110.973 110.973 106.802 4.171 19300
26 1 . 1 1 8 8 GLY CA C 8 46.602 46.602 44.388 2.214 19300
27 1 . 1 1 8 8 GLY H H 8 8.699 8.699 7.965 0.734 19300
28 1 . 1 1 9 9 CYS N N 9 117.019 117.019 118.167 -1.148 19300
29 1 . 1 1 9 9 CYS HA H 9 5.212 5.212 4.664 0.548 19300
30 1 . 1 1 9 9 CYS CA C 9 55.180 55.180 57.168 -1.988 19300
31 1 . 1 1 9 9 CYS CB C 9 44.919 44.919 29.028 15.891 19300
32 1 . 1 1 9 9 CYS H H 9 8.407 8.407 8.208 0.199 19300
33 1 . 1 1 10 10 SER N N 10 116.524 116.524 115.110 1.414 19300
34 1 . 1 1 10 10 SER HA H 10 4.384 4.384 4.450 -0.066 19300
35 1 . 1 1 10 10 SER CA C 10 59.172 59.172 58.242 0.929 19300
36 1 . 1 1 10 10 SER CB C 10 63.793 63.793 64.636 -0.843 19300
37 1 . 1 1 10 10 SER H H 10 8.180 8.180 8.160 0.020 19300
38 1 . 1 1 11 11 ALA N N 11 124.635 124.635 123.689 0.946 19300
39 1 . 1 1 11 11 ALA HA H 11 4.459 4.459 4.298 0.161 19300
40 1 . 1 1 11 11 ALA CA C 11 52.665 52.665 53.940 -1.275 19300
41 1 . 1 1 11 11 ALA CB C 11 18.186 18.186 18.664 -0.478 19300
42 1 . 1 1 11 11 ALA H H 11 8.648 8.648 8.473 0.175 19300
43 1 . 1 1 12 12 GLY N N 12 106.219 106.219 105.269 0.950 19300
44 1 . 1 1 12 12 GLY CA C 12 45.331 45.331 45.080 0.251 19300
45 1 . 1 1 12 12 GLY H H 12 8.060 8.060 8.244 -0.184 19300
46 1 . 1 1 13 13 GLN N N 13 121.578 121.578 119.837 1.741 19300
47 1 . 1 1 13 13 GLN HA H 13 4.311 4.311 4.691 -0.380 19300
48 1 . 1 1 13 13 GLN CA C 13 56.154 56.154 55.149 1.005 19300
49 1 . 1 1 13 13 GLN CB C 13 28.679 28.679 31.458 -2.779 19300
50 1 . 1 1 13 13 GLN H H 13 8.394 8.394 7.371 1.023 19300
51 1 . 1 1 14 14 THR N N 14 115.982 115.982 113.380 2.602 19300
52 1 . 1 1 14 14 THR HA H 14 4.359 4.359 4.624 -0.265 19300
53 1 . 1 1 14 14 THR CA C 14 61.622 61.622 61.097 0.525 19300
54 1 . 1 1 14 14 THR CB C 14 70.762 70.762 71.710 -0.948 19300
55 1 . 1 1 14 14 THR H H 14 8.310 8.310 8.296 0.013 19300
56 1 . 1 1 15 15 CYS N N 15 123.244 123.244 119.987 3.257 19300
57 1 . 1 1 15 15 CYS HA H 15 5.058 5.058 4.866 0.192 19300
58 1 . 1 1 15 15 CYS CA C 15 54.875 54.875 58.497 -3.622 19300
59 1 . 1 1 15 15 CYS CB C 15 41.213 41.213 28.800 12.413 19300
60 1 . 1 1 15 15 CYS H H 15 8.996 8.996 8.504 0.492 19300
61 1 . 1 1 16 16 CYS N N 16 121.708 121.708 122.802 -1.094 19300
62 1 . 1 1 16 16 CYS HA H 16 4.554 4.554 4.347 0.207 19300
63 1 . 1 1 16 16 CYS CA C 16 53.810 53.810 60.043 -6.233 19300
64 1 . 1 1 16 16 CYS CB C 16 39.668 39.668 28.098 11.570 19300
65 1 . 1 1 16 16 CYS H H 16 9.380 9.380 8.925 0.455 19300
66 1 . 1 1 17 17 LYS N N 17 117.934 117.934 121.531 -3.597 19300
67 1 . 1 1 17 17 LYS HA H 17 3.981 3.981 4.120 -0.139 19300
68 1 . 1 1 17 17 LYS CA C 17 58.334 58.334 57.813 0.521 19300
69 1 . 1 1 17 17 LYS CB C 17 32.515 32.515 33.067 -0.552 19300
70 1 . 1 1 17 17 LYS H H 17 7.931 7.931 8.689 -0.758 19300
71 1 . 1 1 18 18 HIS N N 18 112.381 112.381 114.419 -2.038 19300
72 1 . 1 1 18 18 HIS HA H 18 4.380 4.380 4.382 -0.002 19300
73 1 . 1 1 18 18 HIS CA C 18 54.449 54.449 57.381 -2.932 19300
74 1 . 1 1 18 18 HIS CB C 18 26.835 26.835 29.351 -2.515 19300
75 1 . 1 1 18 18 HIS H H 18 8.601 8.601 8.828 -0.227 19300
76 1 . 1 1 19 19 LEU N N 19 119.252 119.252 116.864 2.388 19300
77 1 . 1 1 19 19 LEU HA H 19 5.299 5.299 5.499 -0.200 19300
78 1 . 1 1 19 19 LEU CA C 19 54.023 54.023 53.603 0.420 19300
79 1 . 1 1 19 19 LEU CB C 19 45.355 45.355 46.951 -1.596 19300
80 1 . 1 1 19 19 LEU H H 19 8.094 8.094 7.454 0.640 19300
81 1 . 1 1 20 20 VAL N N 20 116.729 116.729 112.966 3.763 19300
82 1 . 1 1 20 20 VAL HA H 20 4.508 4.508 4.513 -0.005 19300
83 1 . 1 1 20 20 VAL CA C 20 59.261 59.261 59.600 -0.339 19300
84 1 . 1 1 20 20 VAL CB C 20 35.903 35.903 35.690 0.213 19300
85 1 . 1 1 20 20 VAL H H 20 9.548 9.548 8.776 0.772 19300
86 1 . 1 1 21 21 CYS N N 21 123.437 123.437 125.933 -2.496 19300
87 1 . 1 1 21 21 CYS HA H 21 4.603 4.603 4.475 0.128 19300
88 1 . 1 1 21 21 CYS CA C 21 55.401 55.401 58.590 -3.189 19300
89 1 . 1 1 21 21 CYS CB C 21 39.360 39.360 25.115 14.245 19300
90 1 . 1 1 21 21 CYS H H 21 8.936 8.936 8.876 0.060 19300
91 1 . 1 1 22 22 SER N N 22 124.898 124.898 123.012 1.886 19300
92 1 . 1 1 22 22 SER HA H 22 4.458 4.458 4.402 0.056 19300
93 1 . 1 1 22 22 SER CA C 22 57.364 57.364 57.780 -0.416 19300
94 1 . 1 1 22 22 SER CB C 22 63.430 63.430 63.245 0.186 19300
95 1 . 1 1 22 22 SER H H 22 8.349 8.349 8.115 0.234 19300
96 1 . 1 1 23 23 ARG N N 23 132.391 132.391 127.661 4.730 19300
97 1 . 1 1 23 23 ARG HA H 23 4.002 4.002 4.086 -0.084 19300
98 1 . 1 1 23 23 ARG CA C 23 58.531 58.531 58.515 0.016 19300
99 1 . 1 1 23 23 ARG CB C 23 29.601 29.601 30.011 -0.411 19300
100 1 . 1 1 23 23 ARG H H 23 9.009 9.009 8.334 0.675 19300
101 1 . 1 1 24 24 ARG N N 24 117.241 117.241 117.216 0.025 19300
102 1 . 1 1 24 24 ARG HA H 24 3.924 3.924 4.184 -0.260 19300
103 1 . 1 1 24 24 ARG CA C 24 57.748 57.748 57.548 0.200 19300
104 1 . 1 1 24 24 ARG CB C 24 30.406 30.406 30.174 0.232 19300
105 1 . 1 1 24 24 ARG H H 24 7.945 7.945 8.023 -0.078 19300
106 1 . 1 1 25 25 HIS N N 25 111.143 111.143 115.299 -4.156 19300
107 1 . 1 1 25 25 HIS HA H 25 4.229 4.229 4.022 0.207 19300
108 1 . 1 1 25 25 HIS CA C 25 54.951 54.951 56.779 -1.828 19300
109 1 . 1 1 25 25 HIS CB C 25 27.979 27.979 30.013 -2.034 19300
110 1 . 1 1 25 25 HIS H H 25 7.326 7.326 7.452 -0.126 19300
111 1 . 1 1 26 26 GLY N N 26 106.585 106.585 106.231 0.354 19300
112 1 . 1 1 26 26 GLY CA C 26 46.592 46.592 44.898 1.694 19300
113 1 . 1 1 26 26 GLY H H 26 8.257 8.257 8.236 0.021 19300
114 1 . 1 1 27 27 TRP N N 27 114.076 114.076 117.037 -2.961 19300
115 1 . 1 1 27 27 TRP HA H 27 5.585 5.585 5.028 0.557 19300
116 1 . 1 1 27 27 TRP CA C 27 54.798 54.798 54.681 0.117 19300
117 1 . 1 1 27 27 TRP CB C 27 30.816 30.816 29.730 1.086 19300
118 1 . 1 1 27 27 TRP H H 27 6.816 6.816 7.072 -0.257 19300
119 1 . 1 1 28 28 CYS N N 28 120.417 120.417 121.895 -1.478 19300
120 1 . 1 1 28 28 CYS HA H 28 5.028 5.028 4.997 0.031 19300
121 1 . 1 1 28 28 CYS CA C 28 56.147 56.147 60.123 -3.976 19300
122 1 . 1 1 28 28 CYS CB C 28 41.586 41.586 25.412 16.174 19300
123 1 . 1 1 28 28 CYS H H 28 8.856 8.856 9.137 -0.281 19300
124 1 . 1 1 29 29 VAL N N 29 117.638 117.638 118.317 -0.679 19300
125 1 . 1 1 29 29 VAL HA H 29 4.928 4.928 4.868 0.060 19300
126 1 . 1 1 29 29 VAL CA C 29 59.347 59.347 59.108 0.239 19300
127 1 . 1 1 29 29 VAL CB C 29 35.527 35.527 34.708 0.819 19300
128 1 . 1 1 29 29 VAL H H 29 9.648 9.648 9.021 0.627 19300
129 1 . 1 1 30 30 TRP N N 30 120.857 120.857 121.699 -0.842 19300
130 1 . 1 1 30 30 TRP HA H 30 4.894 4.894 4.681 0.213 19300
131 1 . 1 1 30 30 TRP CA C 30 58.193 58.193 56.878 1.315 19300
132 1 . 1 1 30 30 TRP CB C 30 29.880 29.880 29.592 0.288 19300
133 1 . 1 1 30 30 TRP H H 30 7.875 7.875 8.742 -0.867 19300
134 1 . 1 1 31 31 ASP N N 31 122.575 122.575 124.625 -2.050 19300
135 1 . 1 1 31 31 ASP HA H 31 4.524 4.524 4.723 -0.199 19300
136 1 . 1 1 31 31 ASP CA C 31 54.155 54.155 54.940 -0.785 19300
137 1 . 1 1 31 31 ASP CB C 31 40.532 40.532 41.207 -0.675 19300
138 1 . 1 1 31 31 ASP H H 31 8.813 8.813 8.393 0.420 19300
139 1 . 1 1 32 32 GLY CA C 32 45.732 45.732 45.882 -0.150 19300
140 1 . 1 1 32 32 GLY H H 32 8.070 8.070 9.026 -0.956 19300
141 1 . 1 1 33 33 THR N N 33 113.474 113.474 116.104 -2.630 19300
142 1 . 1 1 33 33 THR HA H 33 4.311 4.311 4.522 -0.211 19300
143 1 . 1 1 33 33 THR CA C 33 62.204 62.204 61.762 0.442 19300
144 1 . 1 1 33 33 THR CB C 33 70.173 70.173 69.909 0.264 19300
145 1 . 1 1 33 33 THR H H 33 8.040 8.040 7.887 0.153 19300
146 1 . 1 1 34 34 PHE N N 34 121.941 121.941 122.028 -0.087 19300
147 1 . 1 1 34 34 PHE HA H 34 4.570 4.570 4.584 -0.014 19300
148 1 . 1 1 34 34 PHE CA C 34 57.902 57.902 57.663 0.239 19300
149 1 . 1 1 34 34 PHE CB C 34 39.674 39.674 39.191 0.483 19300
150 1 . 1 1 34 34 PHE H H 34 8.282 8.282 8.163 0.119 19300
stop_
save_