data_18206
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18206
_Entry.PDB_ID 2LOC
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 18206
_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 4 4 ARG N N 4 120.207 120.207 121.738 -1.531 18206
2 1 1 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.067 0.239 18206
3 1 1 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.770 -1.571 18206
4 1 1 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.801 0.437 18206
5 1 1 . 1 1 4 4 ARG H H 4 8.773 8.773 8.785 -0.012 18206
6 1 1 . 1 1 5 5 CYS N N 5 118.725 118.725 119.677 -0.952 18206
7 1 1 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.269 0.500 18206
8 1 1 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.367 -7.272 18206
9 1 1 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.784 13.577 18206
10 1 1 . 1 1 5 5 CYS H H 5 8.433 8.433 8.295 0.138 18206
11 1 1 . 1 1 6 6 CYS N N 6 115.197 115.197 118.703 -3.506 18206
12 1 1 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.132 0.432 18206
13 1 1 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.288 -5.034 18206
14 1 1 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.978 17.036 18206
15 1 1 . 1 1 6 6 CYS H H 6 8.334 8.334 8.636 -0.302 18206
16 1 1 . 1 1 7 7 LYS N N 7 120.670 120.670 118.538 2.132 18206
17 1 1 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.117 0.208 18206
18 1 1 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.544 -1.637 18206
19 1 1 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.478 0.431 18206
20 1 1 . 1 1 7 7 LYS H H 7 7.978 7.978 8.316 -0.338 18206
21 1 1 . 1 1 8 8 ASN N N 8 117.984 117.984 115.923 2.061 18206
22 1 1 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.697 0.106 18206
23 1 1 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.098 -0.886 18206
24 1 1 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.849 -1.020 18206
25 1 1 . 1 1 8 8 ASN H H 8 8.646 8.646 8.199 0.447 18206
26 1 1 . 1 1 9 9 GLY N N 9 108.754 108.754 110.209 -1.455 18206
27 1 1 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.035 -1.288 18206
28 1 1 . 1 1 9 9 GLY H H 9 8.335 8.335 8.588 -0.253 18206
29 1 1 . 1 1 10 10 LYS N N 10 121.997 121.997 124.659 -2.662 18206
30 1 1 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.080 0.201 18206
31 1 1 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.377 -0.690 18206
32 1 1 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.285 -2.352 18206
33 1 1 . 1 1 10 10 LYS H H 10 8.623 8.623 8.432 0.191 18206
34 1 1 . 1 1 11 11 ARG N N 11 119.929 119.929 115.487 4.442 18206
35 1 1 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.355 -0.092 18206
36 1 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.203 0.179 18206
37 1 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.708 -0.671 18206
38 1 1 . 1 1 11 11 ARG H H 11 8.339 8.339 8.114 0.225 18206
39 1 1 . 1 1 12 12 GLY N N 12 107.982 107.982 106.552 1.430 18206
40 1 1 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.950 0.352 18206
41 1 1 . 1 1 12 12 GLY H H 12 8.099 8.099 7.421 0.678 18206
42 1 1 . 1 1 13 13 CYS N N 13 118.834 118.834 120.860 -2.026 18206
43 1 1 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.366 0.357 18206
44 1 1 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.183 -3.900 18206
45 1 1 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.942 17.185 18206
46 1 1 . 1 1 13 13 CYS H H 13 8.172 8.172 7.698 0.474 18206
47 1 1 . 1 1 14 14 GLY N N 14 111.154 111.154 113.851 -2.697 18206
48 1 1 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.097 -0.688 18206
49 1 1 . 1 1 14 14 GLY H H 14 8.499 8.499 7.740 0.759 18206
50 1 1 . 1 1 15 15 ARG N N 15 119.836 119.836 119.807 0.029 18206
51 1 1 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.033 -0.220 18206
52 1 1 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.070 1.049 18206
53 1 1 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.502 -0.144 18206
54 1 1 . 1 1 15 15 ARG H H 15 8.601 8.601 8.795 -0.194 18206
55 1 1 . 1 1 16 16 TRP N N 16 118.904 118.904 122.140 -3.236 18206
56 1 1 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.602 -0.192 18206
57 1 1 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.428 1.515 18206
58 1 1 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.263 -0.533 18206
59 1 1 . 1 1 16 16 TRP H H 16 8.787 8.787 8.084 0.703 18206
60 1 1 . 1 1 17 17 CYS N N 17 118.726 118.726 120.404 -1.678 18206
61 1 1 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.122 0.311 18206
62 1 1 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.705 -1.613 18206
63 1 1 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.786 12.765 18206
64 1 1 . 1 1 17 17 CYS H H 17 9.016 9.016 8.779 0.237 18206
65 1 1 . 1 1 18 18 ARG N N 18 121.997 121.997 119.327 2.670 18206
66 1 1 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.935 0.012 18206
67 1 1 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.495 0.497 18206
68 1 1 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.078 -0.122 18206
69 1 1 . 1 1 18 18 ARG H H 18 8.824 8.824 8.761 0.063 18206
70 1 1 . 1 1 19 19 ASP N N 19 116.281 116.281 114.439 1.842 18206
71 1 1 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.467 -0.026 18206
72 1 1 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.910 -0.603 18206
73 1 1 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.749 -0.752 18206
74 1 1 . 1 1 19 19 ASP H H 19 7.677 7.677 7.560 0.117 18206
75 1 1 . 1 1 20 20 HIS N N 20 113.786 113.786 116.172 -2.386 18206
76 1 1 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.511 -0.020 18206
77 1 1 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.986 -0.145 18206
78 1 1 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.683 -1.421 18206
79 1 1 . 1 1 20 20 HIS H H 20 7.523 7.523 8.326 -0.803 18206
80 1 1 . 1 1 21 21 SER N N 21 115.298 115.298 114.979 0.319 18206
81 1 1 . 1 1 21 21 SER HA H 21 4.868 4.868 4.579 0.289 18206
82 1 1 . 1 1 21 21 SER CA C 21 57.831 57.831 57.599 0.232 18206
83 1 1 . 1 1 21 21 SER CB C 21 66.406 66.406 64.689 1.717 18206
84 1 1 . 1 1 21 21 SER H H 21 8.084 8.084 8.061 0.023 18206
85 1 1 . 1 1 22 22 ARG N N 22 125.670 125.670 122.261 3.409 18206
86 1 1 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.285 0.127 18206
87 1 1 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.793 0.245 18206
88 1 1 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.344 -0.566 18206
89 1 1 . 1 1 22 22 ARG H H 22 9.189 9.189 8.497 0.692 18206
90 1 1 . 1 1 23 23 CYS N N 23 116.441 116.441 118.671 -2.230 18206
91 1 1 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.628 -0.131 18206
92 1 1 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.488 -0.659 18206
93 1 1 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.060 17.467 18206
94 1 1 . 1 1 23 23 CYS H H 23 8.338 8.338 8.174 0.164 18206
95 1 2 . 1 1 4 4 ARG N N 4 120.207 120.207 121.859 -1.652 18206
96 1 2 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.123 0.183 18206
97 1 2 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.517 -1.318 18206
98 1 2 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.541 0.697 18206
99 1 2 . 1 1 4 4 ARG H H 4 8.773 8.773 9.003 -0.230 18206
100 1 2 . 1 1 5 5 CYS N N 5 118.725 118.725 119.557 -0.832 18206
101 1 2 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.553 0.216 18206
102 1 2 . 1 1 5 5 CYS CA C 5 56.095 56.095 61.892 -5.797 18206
103 1 2 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.122 13.239 18206
104 1 2 . 1 1 5 5 CYS H H 5 8.433 8.433 8.496 -0.063 18206
105 1 2 . 1 1 6 6 CYS N N 6 115.197 115.197 118.742 -3.545 18206
106 1 2 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.138 0.426 18206
107 1 2 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.833 -5.579 18206
108 1 2 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.218 16.796 18206
109 1 2 . 1 1 6 6 CYS H H 6 8.334 8.334 8.476 -0.142 18206
110 1 2 . 1 1 7 7 LYS N N 7 120.670 120.670 118.794 1.876 18206
111 1 2 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.162 0.163 18206
112 1 2 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.294 -1.387 18206
113 1 2 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.428 0.481 18206
114 1 2 . 1 1 7 7 LYS H H 7 7.978 7.978 8.429 -0.451 18206
115 1 2 . 1 1 8 8 ASN N N 8 117.984 117.984 116.513 1.471 18206
116 1 2 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.691 0.112 18206
117 1 2 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.279 -1.067 18206
118 1 2 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.141 -1.313 18206
119 1 2 . 1 1 8 8 ASN H H 8 8.646 8.646 8.175 0.471 18206
120 1 2 . 1 1 9 9 GLY N N 9 108.754 108.754 109.781 -1.027 18206
121 1 2 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.838 -1.091 18206
122 1 2 . 1 1 9 9 GLY H H 9 8.335 8.335 8.709 -0.374 18206
123 1 2 . 1 1 10 10 LYS N N 10 121.997 121.997 124.423 -2.426 18206
124 1 2 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.028 0.253 18206
125 1 2 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.692 -1.005 18206
126 1 2 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.304 -2.371 18206
127 1 2 . 1 1 10 10 LYS H H 10 8.623 8.623 8.371 0.252 18206
128 1 2 . 1 1 11 11 ARG N N 11 119.929 119.929 116.836 3.093 18206
129 1 2 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.289 -0.026 18206
130 1 2 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.138 0.244 18206
131 1 2 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.588 -0.551 18206
132 1 2 . 1 1 11 11 ARG H H 11 8.339 8.339 7.959 0.380 18206
133 1 2 . 1 1 12 12 GLY N N 12 107.982 107.982 104.845 3.137 18206
134 1 2 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.464 0.838 18206
135 1 2 . 1 1 12 12 GLY H H 12 8.099 8.099 7.498 0.601 18206
136 1 2 . 1 1 13 13 CYS N N 13 118.834 118.834 121.116 -2.282 18206
137 1 2 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.862 -0.139 18206
138 1 2 . 1 1 13 13 CYS CA C 13 56.283 56.283 57.321 -1.038 18206
139 1 2 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.966 18.161 18206
140 1 2 . 1 1 13 13 CYS H H 13 8.172 8.172 7.809 0.363 18206
141 1 2 . 1 1 14 14 GLY N N 14 111.154 111.154 108.102 3.052 18206
142 1 2 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.031 0.378 18206
143 1 2 . 1 1 14 14 GLY H H 14 8.499 8.499 7.300 1.199 18206
144 1 2 . 1 1 15 15 ARG N N 15 119.836 119.836 120.168 -0.332 18206
145 1 2 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.009 -0.196 18206
146 1 2 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.218 -0.099 18206
147 1 2 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.316 0.042 18206
148 1 2 . 1 1 15 15 ARG H H 15 8.601 8.601 8.828 -0.227 18206
149 1 2 . 1 1 16 16 TRP N N 16 118.904 118.904 121.056 -2.152 18206
150 1 2 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.452 -0.042 18206
151 1 2 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.563 1.379 18206
152 1 2 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.810 -0.080 18206
153 1 2 . 1 1 16 16 TRP H H 16 8.787 8.787 8.421 0.366 18206
154 1 2 . 1 1 17 17 CYS N N 17 118.726 118.726 119.110 -0.384 18206
155 1 2 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.971 0.462 18206
156 1 2 . 1 1 17 17 CYS CA C 17 59.092 59.092 61.958 -2.866 18206
157 1 2 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.357 12.194 18206
158 1 2 . 1 1 17 17 CYS H H 17 9.016 9.016 8.066 0.950 18206
159 1 2 . 1 1 18 18 ARG N N 18 121.997 121.997 120.422 1.575 18206
160 1 2 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.955 -0.008 18206
161 1 2 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.569 0.423 18206
162 1 2 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.050 -0.094 18206
163 1 2 . 1 1 18 18 ARG H H 18 8.824 8.824 8.140 0.683 18206
164 1 2 . 1 1 19 19 ASP N N 19 116.281 116.281 116.034 0.247 18206
165 1 2 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.453 -0.012 18206
166 1 2 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.991 -0.684 18206
167 1 2 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.865 -0.868 18206
168 1 2 . 1 1 19 19 ASP H H 19 7.677 7.677 7.952 -0.275 18206
169 1 2 . 1 1 20 20 HIS N N 20 113.786 113.786 116.552 -2.766 18206
170 1 2 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.431 0.060 18206
171 1 2 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.079 -0.238 18206
172 1 2 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.446 -1.184 18206
173 1 2 . 1 1 20 20 HIS H H 20 7.523 7.523 8.334 -0.811 18206
174 1 2 . 1 1 21 21 SER N N 21 115.298 115.298 113.337 1.961 18206
175 1 2 . 1 1 21 21 SER HA H 21 4.868 4.868 4.485 0.383 18206
176 1 2 . 1 1 21 21 SER CA C 21 57.831 57.831 56.863 0.968 18206
177 1 2 . 1 1 21 21 SER CB C 21 66.406 66.406 64.803 1.603 18206
178 1 2 . 1 1 21 21 SER H H 21 8.084 8.084 7.917 0.167 18206
179 1 2 . 1 1 22 22 ARG N N 22 125.670 125.670 120.964 4.706 18206
180 1 2 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.435 -0.023 18206
181 1 2 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.831 1.207 18206
182 1 2 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.061 -0.283 18206
183 1 2 . 1 1 22 22 ARG H H 22 9.189 9.189 8.500 0.689 18206
184 1 2 . 1 1 23 23 CYS N N 23 116.441 116.441 118.738 -2.297 18206
185 1 2 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.698 -0.201 18206
186 1 2 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.792 -0.963 18206
187 1 2 . 1 1 23 23 CYS CB C 23 44.527 44.527 28.598 15.929 18206
188 1 2 . 1 1 23 23 CYS H H 23 8.338 8.338 7.810 0.528 18206
189 1 3 . 1 1 4 4 ARG N N 4 120.207 120.207 122.373 -2.166 18206
190 1 3 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.096 0.210 18206
191 1 3 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.171 -0.972 18206
192 1 3 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.437 0.801 18206
193 1 3 . 1 1 4 4 ARG H H 4 8.773 8.773 8.798 -0.025 18206
194 1 3 . 1 1 5 5 CYS N N 5 118.725 118.725 119.018 -0.293 18206
195 1 3 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.349 0.420 18206
196 1 3 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.652 -6.557 18206
197 1 3 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.262 13.099 18206
198 1 3 . 1 1 5 5 CYS H H 5 8.433 8.433 8.787 -0.354 18206
199 1 3 . 1 1 6 6 CYS N N 6 115.197 115.197 117.714 -2.517 18206
200 1 3 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.294 0.270 18206
201 1 3 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.586 -4.332 18206
202 1 3 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.834 17.180 18206
203 1 3 . 1 1 6 6 CYS H H 6 8.334 8.334 8.594 -0.260 18206
204 1 3 . 1 1 7 7 LYS N N 7 120.670 120.670 119.941 0.729 18206
205 1 3 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.338 -0.013 18206
206 1 3 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.104 -1.197 18206
207 1 3 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.825 0.084 18206
208 1 3 . 1 1 7 7 LYS H H 7 7.978 7.978 8.319 -0.341 18206
209 1 3 . 1 1 8 8 ASN N N 8 117.984 117.984 116.607 1.377 18206
210 1 3 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.860 -0.057 18206
211 1 3 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.964 -0.752 18206
212 1 3 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.979 -2.151 18206
213 1 3 . 1 1 8 8 ASN H H 8 8.646 8.646 8.387 0.259 18206
214 1 3 . 1 1 9 9 GLY N N 9 108.754 108.754 109.995 -1.241 18206
215 1 3 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.858 -1.111 18206
216 1 3 . 1 1 9 9 GLY H H 9 8.335 8.335 7.900 0.435 18206
217 1 3 . 1 1 10 10 LYS N N 10 121.997 121.997 124.644 -2.647 18206
218 1 3 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.109 0.172 18206
219 1 3 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.199 -0.512 18206
220 1 3 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.401 -2.468 18206
221 1 3 . 1 1 10 10 LYS H H 10 8.623 8.623 8.397 0.226 18206
222 1 3 . 1 1 11 11 ARG N N 11 119.929 119.929 115.960 3.969 18206
223 1 3 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.311 -0.048 18206
224 1 3 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.247 0.135 18206
225 1 3 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.592 -0.555 18206
226 1 3 . 1 1 11 11 ARG H H 11 8.339 8.339 7.965 0.374 18206
227 1 3 . 1 1 12 12 GLY N N 12 107.982 107.982 106.786 1.196 18206
228 1 3 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.014 0.288 18206
229 1 3 . 1 1 12 12 GLY H H 12 8.099 8.099 7.422 0.677 18206
230 1 3 . 1 1 13 13 CYS N N 13 118.834 118.834 119.362 -0.528 18206
231 1 3 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.253 0.470 18206
232 1 3 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.787 -4.504 18206
233 1 3 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.815 17.312 18206
234 1 3 . 1 1 13 13 CYS H H 13 8.172 8.172 7.609 0.563 18206
235 1 3 . 1 1 14 14 GLY N N 14 111.154 111.154 113.003 -1.849 18206
236 1 3 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.647 -0.237 18206
237 1 3 . 1 1 14 14 GLY H H 14 8.499 8.499 7.639 0.860 18206
238 1 3 . 1 1 15 15 ARG N N 15 119.836 119.836 120.866 -1.030 18206
239 1 3 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.133 -0.320 18206
240 1 3 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.486 0.633 18206
241 1 3 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.105 0.253 18206
242 1 3 . 1 1 15 15 ARG H H 15 8.601 8.601 8.877 -0.276 18206
243 1 3 . 1 1 16 16 TRP N N 16 118.904 118.904 120.044 -1.140 18206
244 1 3 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.391 0.019 18206
245 1 3 . 1 1 16 16 TRP CA C 16 62.943 62.943 60.987 1.956 18206
246 1 3 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.771 -0.041 18206
247 1 3 . 1 1 16 16 TRP H H 16 8.787 8.787 7.908 0.879 18206
248 1 3 . 1 1 17 17 CYS N N 17 118.726 118.726 119.462 -0.736 18206
249 1 3 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.938 0.495 18206
250 1 3 . 1 1 17 17 CYS CA C 17 59.092 59.092 62.203 -3.111 18206
251 1 3 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.051 12.500 18206
252 1 3 . 1 1 17 17 CYS H H 17 9.016 9.016 8.798 0.218 18206
253 1 3 . 1 1 18 18 ARG N N 18 121.997 121.997 120.187 1.810 18206
254 1 3 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.975 -0.028 18206
255 1 3 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.676 0.316 18206
256 1 3 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.172 -0.216 18206
257 1 3 . 1 1 18 18 ARG H H 18 8.824 8.824 8.732 0.092 18206
258 1 3 . 1 1 19 19 ASP N N 19 116.281 116.281 114.962 1.319 18206
259 1 3 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.523 -0.082 18206
260 1 3 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.058 -0.751 18206
261 1 3 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.875 -0.878 18206
262 1 3 . 1 1 19 19 ASP H H 19 7.677 7.677 7.978 -0.301 18206
263 1 3 . 1 1 20 20 HIS N N 20 113.786 113.786 116.058 -2.272 18206
264 1 3 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.421 0.070 18206
265 1 3 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.517 -0.676 18206
266 1 3 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.289 -2.027 18206
267 1 3 . 1 1 20 20 HIS H H 20 7.523 7.523 8.452 -0.929 18206
268 1 3 . 1 1 21 21 SER N N 21 115.298 115.298 113.798 1.500 18206
269 1 3 . 1 1 21 21 SER HA H 21 4.868 4.868 4.554 0.314 18206
270 1 3 . 1 1 21 21 SER CA C 21 57.831 57.831 57.264 0.567 18206
271 1 3 . 1 1 21 21 SER CB C 21 66.406 66.406 65.315 1.091 18206
272 1 3 . 1 1 21 21 SER H H 21 8.084 8.084 7.892 0.192 18206
273 1 3 . 1 1 22 22 ARG N N 22 125.670 125.670 121.688 3.982 18206
274 1 3 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.531 -0.119 18206
275 1 3 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.696 0.342 18206
276 1 3 . 1 1 22 22 ARG CB C 22 29.778 29.778 31.370 -1.592 18206
277 1 3 . 1 1 22 22 ARG H H 22 9.189 9.189 8.565 0.624 18206
278 1 3 . 1 1 23 23 CYS N N 23 116.441 116.441 118.768 -2.327 18206
279 1 3 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.582 -0.085 18206
280 1 3 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.121 -2.292 18206
281 1 3 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.993 16.534 18206
282 1 3 . 1 1 23 23 CYS H H 23 8.338 8.338 8.183 0.155 18206
283 1 4 . 1 1 4 4 ARG N N 4 120.207 120.207 121.961 -1.754 18206
284 1 4 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.045 0.261 18206
285 1 4 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.675 -1.476 18206
286 1 4 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.828 0.410 18206
287 1 4 . 1 1 4 4 ARG H H 4 8.773 8.773 8.688 0.085 18206
288 1 4 . 1 1 5 5 CYS N N 5 118.725 118.725 119.265 -0.540 18206
289 1 4 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.188 0.581 18206
290 1 4 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.430 -7.335 18206
291 1 4 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.919 13.442 18206
292 1 4 . 1 1 5 5 CYS H H 5 8.433 8.433 8.145 0.288 18206
293 1 4 . 1 1 6 6 CYS N N 6 115.197 115.197 118.051 -2.854 18206
294 1 4 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.173 0.391 18206
295 1 4 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.629 -4.375 18206
296 1 4 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.754 17.260 18206
297 1 4 . 1 1 6 6 CYS H H 6 8.334 8.334 8.475 -0.141 18206
298 1 4 . 1 1 7 7 LYS N N 7 120.670 120.670 118.638 2.032 18206
299 1 4 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.196 0.129 18206
300 1 4 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.318 -1.411 18206
301 1 4 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.628 0.281 18206
302 1 4 . 1 1 7 7 LYS H H 7 7.978 7.978 8.178 -0.200 18206
303 1 4 . 1 1 8 8 ASN N N 8 117.984 117.984 116.490 1.494 18206
304 1 4 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.590 0.213 18206
305 1 4 . 1 1 8 8 ASN CA C 8 53.212 53.212 55.025 -1.813 18206
306 1 4 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.351 -0.523 18206
307 1 4 . 1 1 8 8 ASN H H 8 8.646 8.646 8.235 0.411 18206
308 1 4 . 1 1 9 9 GLY N N 9 108.754 108.754 110.121 -1.367 18206
309 1 4 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.977 -1.230 18206
310 1 4 . 1 1 9 9 GLY H H 9 8.335 8.335 8.662 -0.327 18206
311 1 4 . 1 1 10 10 LYS N N 10 121.997 121.997 124.263 -2.266 18206
312 1 4 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.137 0.144 18206
313 1 4 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.755 -0.068 18206
314 1 4 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.901 -1.968 18206
315 1 4 . 1 1 10 10 LYS H H 10 8.623 8.623 8.274 0.349 18206
316 1 4 . 1 1 11 11 ARG N N 11 119.929 119.929 115.975 3.954 18206
317 1 4 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.378 -0.115 18206
318 1 4 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.089 0.293 18206
319 1 4 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.480 -0.443 18206
320 1 4 . 1 1 11 11 ARG H H 11 8.339 8.339 8.147 0.192 18206
321 1 4 . 1 1 12 12 GLY N N 12 107.982 107.982 107.865 0.117 18206
322 1 4 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.389 -0.087 18206
323 1 4 . 1 1 12 12 GLY H H 12 8.099 8.099 7.502 0.597 18206
324 1 4 . 1 1 13 13 CYS N N 13 118.834 118.834 122.354 -3.520 18206
325 1 4 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.224 0.499 18206
326 1 4 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.758 -4.475 18206
327 1 4 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.617 18.510 18206
328 1 4 . 1 1 13 13 CYS H H 13 8.172 8.172 7.640 0.532 18206
329 1 4 . 1 1 14 14 GLY N N 14 111.154 111.154 113.865 -2.711 18206
330 1 4 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.014 -0.605 18206
331 1 4 . 1 1 14 14 GLY H H 14 8.499 8.499 7.545 0.954 18206
332 1 4 . 1 1 15 15 ARG N N 15 119.836 119.836 121.436 -1.600 18206
333 1 4 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.078 -0.265 18206
334 1 4 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.608 0.511 18206
335 1 4 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.348 0.011 18206
336 1 4 . 1 1 15 15 ARG H H 15 8.601 8.601 8.797 -0.196 18206
337 1 4 . 1 1 16 16 TRP N N 16 118.904 118.904 120.006 -1.102 18206
338 1 4 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.451 -0.041 18206
339 1 4 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.563 1.379 18206
340 1 4 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.037 -0.307 18206
341 1 4 . 1 1 16 16 TRP H H 16 8.787 8.787 8.210 0.577 18206
342 1 4 . 1 1 17 17 CYS N N 17 118.726 118.726 118.707 0.019 18206
343 1 4 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.158 0.275 18206
344 1 4 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.640 -1.548 18206
345 1 4 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.448 12.103 18206
346 1 4 . 1 1 17 17 CYS H H 17 9.016 9.016 8.616 0.400 18206
347 1 4 . 1 1 18 18 ARG N N 18 121.997 121.997 119.736 2.261 18206
348 1 4 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.232 -0.285 18206
349 1 4 . 1 1 18 18 ARG CA C 18 59.992 59.992 58.908 1.084 18206
350 1 4 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.368 -0.412 18206
351 1 4 . 1 1 18 18 ARG H H 18 8.824 8.824 8.494 0.330 18206
352 1 4 . 1 1 19 19 ASP N N 19 116.281 116.281 116.482 -0.201 18206
353 1 4 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.535 -0.094 18206
354 1 4 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.089 -0.782 18206
355 1 4 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.865 -0.869 18206
356 1 4 . 1 1 19 19 ASP H H 19 7.677 7.677 7.752 -0.075 18206
357 1 4 . 1 1 20 20 HIS N N 20 113.786 113.786 117.648 -3.862 18206
358 1 4 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.361 0.130 18206
359 1 4 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.712 -0.871 18206
360 1 4 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.511 -1.249 18206
361 1 4 . 1 1 20 20 HIS H H 20 7.523 7.523 8.226 -0.703 18206
362 1 4 . 1 1 21 21 SER N N 21 115.298 115.298 114.587 0.711 18206
363 1 4 . 1 1 21 21 SER HA H 21 4.868 4.868 4.249 0.619 18206
364 1 4 . 1 1 21 21 SER CA C 21 57.831 57.831 59.697 -1.866 18206
365 1 4 . 1 1 21 21 SER CB C 21 66.406 66.406 63.756 2.650 18206
366 1 4 . 1 1 21 21 SER H H 21 8.084 8.084 7.619 0.465 18206
367 1 4 . 1 1 22 22 ARG N N 22 125.670 125.670 123.239 2.431 18206
368 1 4 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.322 0.090 18206
369 1 4 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.678 0.360 18206
370 1 4 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.442 -0.664 18206
371 1 4 . 1 1 22 22 ARG H H 22 9.189 9.189 8.675 0.514 18206
372 1 4 . 1 1 23 23 CYS N N 23 116.441 116.441 118.759 -2.318 18206
373 1 4 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.572 -0.075 18206
374 1 4 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.863 -1.034 18206
375 1 4 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.007 17.520 18206
376 1 4 . 1 1 23 23 CYS H H 23 8.338 8.338 8.106 0.232 18206
377 1 5 . 1 1 4 4 ARG N N 4 120.207 120.207 121.924 -1.717 18206
378 1 5 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.078 0.228 18206
379 1 5 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.930 -0.731 18206
380 1 5 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.430 0.808 18206
381 1 5 . 1 1 4 4 ARG H H 4 8.773 8.773 8.771 0.002 18206
382 1 5 . 1 1 5 5 CYS N N 5 118.725 118.725 120.342 -1.617 18206
383 1 5 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.279 0.490 18206
384 1 5 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.349 -7.254 18206
385 1 5 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.730 13.631 18206
386 1 5 . 1 1 5 5 CYS H H 5 8.433 8.433 8.099 0.334 18206
387 1 5 . 1 1 6 6 CYS N N 6 115.197 115.197 118.589 -3.392 18206
388 1 5 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.162 0.402 18206
389 1 5 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.367 -5.114 18206
390 1 5 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.599 17.415 18206
391 1 5 . 1 1 6 6 CYS H H 6 8.334 8.334 8.717 -0.383 18206
392 1 5 . 1 1 7 7 LYS N N 7 120.670 120.670 119.174 1.496 18206
393 1 5 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.289 0.036 18206
394 1 5 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.409 -1.502 18206
395 1 5 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.817 0.092 18206
396 1 5 . 1 1 7 7 LYS H H 7 7.978 7.978 8.461 -0.483 18206
397 1 5 . 1 1 8 8 ASN N N 8 117.984 117.984 116.296 1.688 18206
398 1 5 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.907 -0.104 18206
399 1 5 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.502 -0.289 18206
400 1 5 . 1 1 8 8 ASN CB C 8 38.828 38.828 41.247 -2.419 18206
401 1 5 . 1 1 8 8 ASN H H 8 8.646 8.646 8.290 0.356 18206
402 1 5 . 1 1 9 9 GLY N N 9 108.754 108.754 109.328 -0.574 18206
403 1 5 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.303 -1.556 18206
404 1 5 . 1 1 9 9 GLY H H 9 8.335 8.335 8.660 -0.325 18206
405 1 5 . 1 1 10 10 LYS N N 10 121.997 121.997 123.969 -1.972 18206
406 1 5 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.090 0.191 18206
407 1 5 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.312 -0.625 18206
408 1 5 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.977 -2.045 18206
409 1 5 . 1 1 10 10 LYS H H 10 8.623 8.623 8.556 0.067 18206
410 1 5 . 1 1 11 11 ARG N N 11 119.929 119.929 115.245 4.684 18206
411 1 5 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.340 -0.077 18206
412 1 5 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.307 0.075 18206
413 1 5 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.672 -0.634 18206
414 1 5 . 1 1 11 11 ARG H H 11 8.339 8.339 8.270 0.069 18206
415 1 5 . 1 1 12 12 GLY N N 12 107.982 107.982 106.280 1.702 18206
416 1 5 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.869 0.433 18206
417 1 5 . 1 1 12 12 GLY H H 12 8.099 8.099 7.439 0.660 18206
418 1 5 . 1 1 13 13 CYS N N 13 118.834 118.834 122.285 -3.451 18206
419 1 5 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.475 0.248 18206
420 1 5 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.325 -4.042 18206
421 1 5 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.532 17.595 18206
422 1 5 . 1 1 13 13 CYS H H 13 8.172 8.172 8.101 0.071 18206
423 1 5 . 1 1 14 14 GLY N N 14 111.154 111.154 114.507 -3.353 18206
424 1 5 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.102 -0.693 18206
425 1 5 . 1 1 14 14 GLY H H 14 8.499 8.499 7.675 0.824 18206
426 1 5 . 1 1 15 15 ARG N N 15 119.836 119.836 120.877 -1.041 18206
427 1 5 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.088 -0.275 18206
428 1 5 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.222 -0.103 18206
429 1 5 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.268 0.090 18206
430 1 5 . 1 1 15 15 ARG H H 15 8.601 8.601 8.764 -0.163 18206
431 1 5 . 1 1 16 16 TRP N N 16 118.904 118.904 120.223 -1.319 18206
432 1 5 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.439 -0.029 18206
433 1 5 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.498 1.445 18206
434 1 5 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.976 -0.246 18206
435 1 5 . 1 1 16 16 TRP H H 16 8.787 8.787 8.276 0.511 18206
436 1 5 . 1 1 17 17 CYS N N 17 118.726 118.726 119.442 -0.716 18206
437 1 5 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.231 0.202 18206
438 1 5 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.558 -1.466 18206
439 1 5 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.907 12.644 18206
440 1 5 . 1 1 17 17 CYS H H 17 9.016 9.016 8.722 0.294 18206
441 1 5 . 1 1 18 18 ARG N N 18 121.997 121.997 120.329 1.668 18206
442 1 5 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.927 0.020 18206
443 1 5 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.582 0.410 18206
444 1 5 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.026 -0.070 18206
445 1 5 . 1 1 18 18 ARG H H 18 8.824 8.824 8.646 0.178 18206
446 1 5 . 1 1 19 19 ASP N N 19 116.281 116.281 114.886 1.395 18206
447 1 5 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.490 -0.049 18206
448 1 5 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.913 -0.606 18206
449 1 5 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.911 -0.914 18206
450 1 5 . 1 1 19 19 ASP H H 19 7.677 7.677 7.827 -0.150 18206
451 1 5 . 1 1 20 20 HIS N N 20 113.786 113.786 116.178 -2.392 18206
452 1 5 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.390 0.101 18206
453 1 5 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.680 -0.839 18206
454 1 5 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.100 -1.838 18206
455 1 5 . 1 1 20 20 HIS H H 20 7.523 7.523 8.375 -0.852 18206
456 1 5 . 1 1 21 21 SER N N 21 115.298 115.298 114.339 0.959 18206
457 1 5 . 1 1 21 21 SER HA H 21 4.868 4.868 4.411 0.457 18206
458 1 5 . 1 1 21 21 SER CA C 21 57.831 57.831 58.581 -0.750 18206
459 1 5 . 1 1 21 21 SER CB C 21 66.406 66.406 64.644 1.762 18206
460 1 5 . 1 1 21 21 SER H H 21 8.084 8.084 7.736 0.348 18206
461 1 5 . 1 1 22 22 ARG N N 22 125.670 125.670 121.283 4.387 18206
462 1 5 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.442 -0.030 18206
463 1 5 . 1 1 22 22 ARG CA C 22 57.038 57.038 57.192 -0.154 18206
464 1 5 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.841 -1.063 18206
465 1 5 . 1 1 22 22 ARG H H 22 9.189 9.189 8.614 0.575 18206
466 1 5 . 1 1 23 23 CYS N N 23 116.441 116.441 117.997 -1.556 18206
467 1 5 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.655 -0.158 18206
468 1 5 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.136 -0.307 18206
469 1 5 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.711 17.816 18206
470 1 5 . 1 1 23 23 CYS H H 23 8.338 8.338 8.199 0.139 18206
471 1 6 . 1 1 4 4 ARG N N 4 120.207 120.207 121.943 -1.736 18206
472 1 6 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.015 0.291 18206
473 1 6 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.434 -1.235 18206
474 1 6 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.567 0.671 18206
475 1 6 . 1 1 4 4 ARG H H 4 8.773 8.773 8.741 0.032 18206
476 1 6 . 1 1 5 5 CYS N N 5 118.725 118.725 117.923 0.802 18206
477 1 6 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.274 0.495 18206
478 1 6 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.077 -6.982 18206
479 1 6 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.203 13.158 18206
480 1 6 . 1 1 5 5 CYS H H 5 8.433 8.433 8.361 0.072 18206
481 1 6 . 1 1 6 6 CYS N N 6 115.197 115.197 119.726 -4.529 18206
482 1 6 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.229 0.335 18206
483 1 6 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.525 -5.271 18206
484 1 6 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.163 16.851 18206
485 1 6 . 1 1 6 6 CYS H H 6 8.334 8.334 8.439 -0.105 18206
486 1 6 . 1 1 7 7 LYS N N 7 120.670 120.670 119.404 1.266 18206
487 1 6 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.149 0.176 18206
488 1 6 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.564 -1.657 18206
489 1 6 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.267 0.642 18206
490 1 6 . 1 1 7 7 LYS H H 7 7.978 7.978 8.616 -0.638 18206
491 1 6 . 1 1 8 8 ASN N N 8 117.984 117.984 116.344 1.640 18206
492 1 6 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.847 -0.044 18206
493 1 6 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.982 -0.770 18206
494 1 6 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.884 -2.056 18206
495 1 6 . 1 1 8 8 ASN H H 8 8.646 8.646 8.011 0.635 18206
496 1 6 . 1 1 9 9 GLY N N 9 108.754 108.754 110.296 -1.542 18206
497 1 6 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.801 -1.054 18206
498 1 6 . 1 1 9 9 GLY H H 9 8.335 8.335 8.053 0.282 18206
499 1 6 . 1 1 10 10 LYS N N 10 121.997 121.997 124.508 -2.511 18206
500 1 6 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.215 0.066 18206
501 1 6 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.412 0.275 18206
502 1 6 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.973 -2.040 18206
503 1 6 . 1 1 10 10 LYS H H 10 8.623 8.623 8.301 0.322 18206
504 1 6 . 1 1 11 11 ARG N N 11 119.929 119.929 117.008 2.921 18206
505 1 6 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.278 -0.015 18206
506 1 6 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.587 -0.204 18206
507 1 6 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.278 -0.241 18206
508 1 6 . 1 1 11 11 ARG H H 11 8.339 8.339 7.870 0.469 18206
509 1 6 . 1 1 12 12 GLY N N 12 107.982 107.982 107.597 0.385 18206
510 1 6 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.521 -0.219 18206
511 1 6 . 1 1 12 12 GLY H H 12 8.099 8.099 7.412 0.687 18206
512 1 6 . 1 1 13 13 CYS N N 13 118.834 118.834 120.319 -1.485 18206
513 1 6 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.254 0.469 18206
514 1 6 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.775 -4.492 18206
515 1 6 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.877 18.250 18206
516 1 6 . 1 1 13 13 CYS H H 13 8.172 8.172 7.663 0.509 18206
517 1 6 . 1 1 14 14 GLY N N 14 111.154 111.154 112.289 -1.135 18206
518 1 6 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.789 -0.380 18206
519 1 6 . 1 1 14 14 GLY H H 14 8.499 8.499 7.736 0.763 18206
520 1 6 . 1 1 15 15 ARG N N 15 119.836 119.836 120.136 -0.300 18206
521 1 6 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.000 -0.187 18206
522 1 6 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.171 0.948 18206
523 1 6 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.460 -0.103 18206
524 1 6 . 1 1 15 15 ARG H H 15 8.601 8.601 8.807 -0.206 18206
525 1 6 . 1 1 16 16 TRP N N 16 118.904 118.904 121.845 -2.941 18206
526 1 6 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.596 -0.186 18206
527 1 6 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.414 1.529 18206
528 1 6 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.317 -0.587 18206
529 1 6 . 1 1 16 16 TRP H H 16 8.787 8.787 8.120 0.667 18206
530 1 6 . 1 1 17 17 CYS N N 17 118.726 118.726 119.239 -0.513 18206
531 1 6 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.196 0.237 18206
532 1 6 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.904 -1.812 18206
533 1 6 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.400 12.151 18206
534 1 6 . 1 1 17 17 CYS H H 17 9.016 9.016 8.639 0.377 18206
535 1 6 . 1 1 18 18 ARG N N 18 121.997 121.997 118.814 3.183 18206
536 1 6 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.040 -0.093 18206
537 1 6 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.035 0.957 18206
538 1 6 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.354 -0.398 18206
539 1 6 . 1 1 18 18 ARG H H 18 8.824 8.824 8.445 0.379 18206
540 1 6 . 1 1 19 19 ASP N N 19 116.281 116.281 116.963 -0.682 18206
541 1 6 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.514 -0.073 18206
542 1 6 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.048 -0.742 18206
543 1 6 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.951 -0.954 18206
544 1 6 . 1 1 19 19 ASP H H 19 7.677 7.677 7.656 0.021 18206
545 1 6 . 1 1 20 20 HIS N N 20 113.786 113.786 117.463 -3.677 18206
546 1 6 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.426 0.065 18206
547 1 6 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.830 -0.989 18206
548 1 6 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.933 -1.671 18206
549 1 6 . 1 1 20 20 HIS H H 20 7.523 7.523 8.315 -0.792 18206
550 1 6 . 1 1 21 21 SER N N 21 115.298 115.298 114.588 0.710 18206
551 1 6 . 1 1 21 21 SER HA H 21 4.868 4.868 4.359 0.509 18206
552 1 6 . 1 1 21 21 SER CA C 21 57.831 57.831 58.953 -1.122 18206
553 1 6 . 1 1 21 21 SER CB C 21 66.406 66.406 64.474 1.932 18206
554 1 6 . 1 1 21 21 SER H H 21 8.084 8.084 7.193 0.891 18206
555 1 6 . 1 1 22 22 ARG N N 22 125.670 125.670 121.555 4.115 18206
556 1 6 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.418 -0.006 18206
557 1 6 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.415 0.623 18206
558 1 6 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.473 -0.695 18206
559 1 6 . 1 1 22 22 ARG H H 22 9.189 9.189 8.623 0.566 18206
560 1 6 . 1 1 23 23 CYS N N 23 116.441 116.441 120.521 -4.080 18206
561 1 6 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.486 0.011 18206
562 1 6 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.227 -2.397 18206
563 1 6 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.856 17.671 18206
564 1 6 . 1 1 23 23 CYS H H 23 8.338 8.338 8.265 0.073 18206
565 1 7 . 1 1 4 4 ARG N N 4 120.207 120.207 121.507 -1.300 18206
566 1 7 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.003 0.303 18206
567 1 7 . 1 1 4 4 ARG CA C 4 57.199 57.199 59.019 -1.820 18206
568 1 7 . 1 1 4 4 ARG CB C 4 30.238 30.238 30.012 0.226 18206
569 1 7 . 1 1 4 4 ARG H H 4 8.773 8.773 8.677 0.096 18206
570 1 7 . 1 1 5 5 CYS N N 5 118.725 118.725 118.237 0.488 18206
571 1 7 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.370 0.399 18206
572 1 7 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.322 -7.227 18206
573 1 7 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.965 13.396 18206
574 1 7 . 1 1 5 5 CYS H H 5 8.433 8.433 8.129 0.304 18206
575 1 7 . 1 1 6 6 CYS N N 6 115.197 115.197 118.036 -2.839 18206
576 1 7 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.317 0.247 18206
577 1 7 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.522 -4.268 18206
578 1 7 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.583 17.431 18206
579 1 7 . 1 1 6 6 CYS H H 6 8.334 8.334 8.714 -0.380 18206
580 1 7 . 1 1 7 7 LYS N N 7 120.670 120.670 120.510 0.160 18206
581 1 7 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.441 -0.116 18206
582 1 7 . 1 1 7 7 LYS CA C 7 56.907 56.907 57.808 -0.901 18206
583 1 7 . 1 1 7 7 LYS CB C 7 32.909 32.909 33.060 -0.151 18206
584 1 7 . 1 1 7 7 LYS H H 7 7.978 7.978 8.225 -0.247 18206
585 1 7 . 1 1 8 8 ASN N N 8 117.984 117.984 116.868 1.116 18206
586 1 7 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.822 -0.019 18206
587 1 7 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.997 -0.785 18206
588 1 7 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.661 -1.833 18206
589 1 7 . 1 1 8 8 ASN H H 8 8.646 8.646 8.384 0.262 18206
590 1 7 . 1 1 9 9 GLY N N 9 108.754 108.754 109.682 -0.928 18206
591 1 7 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.023 -1.276 18206
592 1 7 . 1 1 9 9 GLY H H 9 8.335 8.335 7.878 0.457 18206
593 1 7 . 1 1 10 10 LYS N N 10 121.997 121.997 124.747 -2.750 18206
594 1 7 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.068 0.213 18206
595 1 7 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.470 -0.783 18206
596 1 7 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.203 -2.270 18206
597 1 7 . 1 1 10 10 LYS H H 10 8.623 8.623 8.474 0.149 18206
598 1 7 . 1 1 11 11 ARG N N 11 119.929 119.929 116.115 3.814 18206
599 1 7 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.316 -0.053 18206
600 1 7 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.520 -0.138 18206
601 1 7 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.517 -0.480 18206
602 1 7 . 1 1 11 11 ARG H H 11 8.339 8.339 8.085 0.254 18206
603 1 7 . 1 1 12 12 GLY N N 12 107.982 107.982 107.748 0.234 18206
604 1 7 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.310 -0.008 18206
605 1 7 . 1 1 12 12 GLY H H 12 8.099 8.099 7.264 0.835 18206
606 1 7 . 1 1 13 13 CYS N N 13 118.834 118.834 120.755 -1.921 18206
607 1 7 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.121 0.602 18206
608 1 7 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.290 -4.007 18206
609 1 7 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.799 17.328 18206
610 1 7 . 1 1 13 13 CYS H H 13 8.172 8.172 7.826 0.346 18206
611 1 7 . 1 1 14 14 GLY N N 14 111.154 111.154 112.274 -1.120 18206
612 1 7 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.767 -0.358 18206
613 1 7 . 1 1 14 14 GLY H H 14 8.499 8.499 7.628 0.871 18206
614 1 7 . 1 1 15 15 ARG N N 15 119.836 119.836 118.895 0.941 18206
615 1 7 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.111 -0.298 18206
616 1 7 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.070 0.049 18206
617 1 7 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.276 0.082 18206
618 1 7 . 1 1 15 15 ARG H H 15 8.601 8.601 8.856 -0.255 18206
619 1 7 . 1 1 16 16 TRP N N 16 118.904 118.904 121.545 -2.641 18206
620 1 7 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.593 -0.183 18206
621 1 7 . 1 1 16 16 TRP CA C 16 62.943 62.943 60.670 2.273 18206
622 1 7 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.958 -0.228 18206
623 1 7 . 1 1 16 16 TRP H H 16 8.787 8.787 7.756 1.031 18206
624 1 7 . 1 1 17 17 CYS N N 17 118.726 118.726 119.383 -0.657 18206
625 1 7 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.371 0.062 18206
626 1 7 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.422 -1.330 18206
627 1 7 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.084 12.467 18206
628 1 7 . 1 1 17 17 CYS H H 17 9.016 9.016 8.694 0.322 18206
629 1 7 . 1 1 18 18 ARG N N 18 121.997 121.997 120.227 1.770 18206
630 1 7 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.053 -0.106 18206
631 1 7 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.100 0.892 18206
632 1 7 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.432 -0.476 18206
633 1 7 . 1 1 18 18 ARG H H 18 8.824 8.824 8.536 0.288 18206
634 1 7 . 1 1 19 19 ASP N N 19 116.281 116.281 115.726 0.555 18206
635 1 7 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.525 -0.084 18206
636 1 7 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.128 -0.821 18206
637 1 7 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.623 -0.626 18206
638 1 7 . 1 1 19 19 ASP H H 19 7.677 7.677 7.818 -0.141 18206
639 1 7 . 1 1 20 20 HIS N N 20 113.786 113.786 117.041 -3.255 18206
640 1 7 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.370 0.121 18206
641 1 7 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.998 -1.157 18206
642 1 7 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.649 -1.387 18206
643 1 7 . 1 1 20 20 HIS H H 20 7.523 7.523 8.250 -0.727 18206
644 1 7 . 1 1 21 21 SER N N 21 115.298 115.298 113.959 1.339 18206
645 1 7 . 1 1 21 21 SER HA H 21 4.868 4.868 4.377 0.491 18206
646 1 7 . 1 1 21 21 SER CA C 21 57.831 57.831 59.053 -1.222 18206
647 1 7 . 1 1 21 21 SER CB C 21 66.406 66.406 64.039 2.367 18206
648 1 7 . 1 1 21 21 SER H H 21 8.084 8.084 7.226 0.858 18206
649 1 7 . 1 1 22 22 ARG N N 22 125.670 125.670 120.031 5.639 18206
650 1 7 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.443 -0.031 18206
651 1 7 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.617 1.421 18206
652 1 7 . 1 1 22 22 ARG CB C 22 29.778 29.778 29.953 -0.175 18206
653 1 7 . 1 1 22 22 ARG H H 22 9.189 9.189 8.570 0.619 18206
654 1 7 . 1 1 23 23 CYS N N 23 116.441 116.441 117.456 -1.015 18206
655 1 7 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.800 -0.303 18206
656 1 7 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.135 -0.306 18206
657 1 7 . 1 1 23 23 CYS CB C 23 44.527 44.527 29.963 14.564 18206
658 1 7 . 1 1 23 23 CYS H H 23 8.338 8.338 7.756 0.582 18206
659 1 8 . 1 1 4 4 ARG N N 4 120.207 120.207 122.040 -1.833 18206
660 1 8 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.062 0.244 18206
661 1 8 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.443 -1.244 18206
662 1 8 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.693 0.545 18206
663 1 8 . 1 1 4 4 ARG H H 4 8.773 8.773 8.727 0.046 18206
664 1 8 . 1 1 5 5 CYS N N 5 118.725 118.725 117.963 0.762 18206
665 1 8 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.293 0.476 18206
666 1 8 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.048 -6.953 18206
667 1 8 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.052 13.309 18206
668 1 8 . 1 1 5 5 CYS H H 5 8.433 8.433 8.167 0.266 18206
669 1 8 . 1 1 6 6 CYS N N 6 115.197 115.197 117.959 -2.762 18206
670 1 8 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.275 0.289 18206
671 1 8 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.823 -4.569 18206
672 1 8 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.897 17.117 18206
673 1 8 . 1 1 6 6 CYS H H 6 8.334 8.334 8.582 -0.248 18206
674 1 8 . 1 1 7 7 LYS N N 7 120.670 120.670 120.099 0.571 18206
675 1 8 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.335 -0.010 18206
676 1 8 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.217 -1.310 18206
677 1 8 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.789 0.120 18206
678 1 8 . 1 1 7 7 LYS H H 7 7.978 7.978 8.442 -0.464 18206
679 1 8 . 1 1 8 8 ASN N N 8 117.984 117.984 116.253 1.731 18206
680 1 8 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.831 -0.028 18206
681 1 8 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.099 -0.887 18206
682 1 8 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.956 -2.128 18206
683 1 8 . 1 1 8 8 ASN H H 8 8.646 8.646 8.460 0.186 18206
684 1 8 . 1 1 9 9 GLY N N 9 108.754 108.754 110.367 -1.613 18206
685 1 8 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.035 -1.288 18206
686 1 8 . 1 1 9 9 GLY H H 9 8.335 8.335 8.598 -0.263 18206
687 1 8 . 1 1 10 10 LYS N N 10 121.997 121.997 124.197 -2.200 18206
688 1 8 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.107 0.174 18206
689 1 8 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.882 -0.195 18206
690 1 8 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.898 -1.965 18206
691 1 8 . 1 1 10 10 LYS H H 10 8.623 8.623 8.292 0.331 18206
692 1 8 . 1 1 11 11 ARG N N 11 119.929 119.929 116.005 3.924 18206
693 1 8 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.388 -0.125 18206
694 1 8 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.993 0.389 18206
695 1 8 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.565 -0.528 18206
696 1 8 . 1 1 11 11 ARG H H 11 8.339 8.339 8.041 0.298 18206
697 1 8 . 1 1 12 12 GLY N N 12 107.982 107.982 105.368 2.614 18206
698 1 8 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.859 0.443 18206
699 1 8 . 1 1 12 12 GLY H H 12 8.099 8.099 7.547 0.552 18206
700 1 8 . 1 1 13 13 CYS N N 13 118.834 118.834 124.505 -5.671 18206
701 1 8 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.770 -0.047 18206
702 1 8 . 1 1 13 13 CYS CA C 13 56.283 56.283 58.103 -1.820 18206
703 1 8 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.302 18.825 18206
704 1 8 . 1 1 13 13 CYS H H 13 8.172 8.172 7.959 0.213 18206
705 1 8 . 1 1 14 14 GLY N N 14 111.154 111.154 111.604 -0.450 18206
706 1 8 . 1 1 14 14 GLY CA C 14 44.409 44.409 43.951 0.458 18206
707 1 8 . 1 1 14 14 GLY H H 14 8.499 8.499 8.575 -0.076 18206
708 1 8 . 1 1 15 15 ARG N N 15 119.836 119.836 120.421 -0.585 18206
709 1 8 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.058 -0.245 18206
710 1 8 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.480 0.639 18206
711 1 8 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.102 0.256 18206
712 1 8 . 1 1 15 15 ARG H H 15 8.601 8.601 8.840 -0.239 18206
713 1 8 . 1 1 16 16 TRP N N 16 118.904 118.904 122.254 -3.350 18206
714 1 8 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.487 -0.077 18206
715 1 8 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.596 1.347 18206
716 1 8 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.079 -0.350 18206
717 1 8 . 1 1 16 16 TRP H H 16 8.787 8.787 8.205 0.582 18206
718 1 8 . 1 1 17 17 CYS N N 17 118.726 118.726 118.756 -0.030 18206
719 1 8 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.169 0.264 18206
720 1 8 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.413 -1.321 18206
721 1 8 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.358 12.193 18206
722 1 8 . 1 1 17 17 CYS H H 17 9.016 9.016 8.592 0.424 18206
723 1 8 . 1 1 18 18 ARG N N 18 121.997 121.997 120.335 1.662 18206
724 1 8 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.256 -0.309 18206
725 1 8 . 1 1 18 18 ARG CA C 18 59.992 59.992 58.882 1.110 18206
726 1 8 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.454 -0.498 18206
727 1 8 . 1 1 18 18 ARG H H 18 8.824 8.824 8.444 0.380 18206
728 1 8 . 1 1 19 19 ASP N N 19 116.281 116.281 115.008 1.273 18206
729 1 8 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.489 -0.048 18206
730 1 8 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.643 -1.336 18206
731 1 8 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.932 -0.935 18206
732 1 8 . 1 1 19 19 ASP H H 19 7.677 7.677 7.835 -0.158 18206
733 1 8 . 1 1 20 20 HIS N N 20 113.786 113.786 116.277 -2.491 18206
734 1 8 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.373 0.118 18206
735 1 8 . 1 1 20 20 HIS CA C 20 56.841 56.841 58.096 -1.255 18206
736 1 8 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.425 -1.163 18206
737 1 8 . 1 1 20 20 HIS H H 20 7.523 7.523 8.325 -0.802 18206
738 1 8 . 1 1 21 21 SER N N 21 115.298 115.298 115.020 0.278 18206
739 1 8 . 1 1 21 21 SER HA H 21 4.868 4.868 4.214 0.654 18206
740 1 8 . 1 1 21 21 SER CA C 21 57.831 57.831 60.080 -2.248 18206
741 1 8 . 1 1 21 21 SER CB C 21 66.406 66.406 63.469 2.937 18206
742 1 8 . 1 1 21 21 SER H H 21 8.084 8.084 7.365 0.719 18206
743 1 8 . 1 1 22 22 ARG N N 22 125.670 125.670 122.633 3.037 18206
744 1 8 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.308 0.104 18206
745 1 8 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.867 0.171 18206
746 1 8 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.379 -0.601 18206
747 1 8 . 1 1 22 22 ARG H H 22 9.189 9.189 8.651 0.538 18206
748 1 8 . 1 1 23 23 CYS N N 23 116.441 116.441 120.386 -3.945 18206
749 1 8 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.521 -0.024 18206
750 1 8 . 1 1 23 23 CYS CA C 23 56.829 56.829 58.358 -1.528 18206
751 1 8 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.028 18.499 18206
752 1 8 . 1 1 23 23 CYS H H 23 8.338 8.338 8.013 0.325 18206
753 1 9 . 1 1 4 4 ARG N N 4 120.207 120.207 121.776 -1.569 18206
754 1 9 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.132 0.174 18206
755 1 9 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.144 -0.945 18206
756 1 9 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.500 0.739 18206
757 1 9 . 1 1 4 4 ARG H H 4 8.773 8.773 8.811 -0.038 18206
758 1 9 . 1 1 5 5 CYS N N 5 118.725 118.725 119.833 -1.108 18206
759 1 9 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.611 0.158 18206
760 1 9 . 1 1 5 5 CYS CA C 5 56.095 56.095 61.465 -5.370 18206
761 1 9 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.423 12.938 18206
762 1 9 . 1 1 5 5 CYS H H 5 8.433 8.433 8.610 -0.177 18206
763 1 9 . 1 1 6 6 CYS N N 6 115.197 115.197 118.823 -3.626 18206
764 1 9 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.178 0.386 18206
765 1 9 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.790 -5.536 18206
766 1 9 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.260 16.754 18206
767 1 9 . 1 1 6 6 CYS H H 6 8.334 8.334 8.582 -0.248 18206
768 1 9 . 1 1 7 7 LYS N N 7 120.670 120.670 118.600 2.070 18206
769 1 9 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.214 0.111 18206
770 1 9 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.346 -1.439 18206
771 1 9 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.450 0.459 18206
772 1 9 . 1 1 7 7 LYS H H 7 7.978 7.978 8.161 -0.183 18206
773 1 9 . 1 1 8 8 ASN N N 8 117.984 117.984 116.303 1.681 18206
774 1 9 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.682 0.121 18206
775 1 9 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.412 -1.200 18206
776 1 9 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.130 -1.302 18206
777 1 9 . 1 1 8 8 ASN H H 8 8.646 8.646 7.779 0.868 18206
778 1 9 . 1 1 9 9 GLY N N 9 108.754 108.754 109.523 -0.769 18206
779 1 9 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.825 -1.077 18206
780 1 9 . 1 1 9 9 GLY H H 9 8.335 8.335 8.407 -0.072 18206
781 1 9 . 1 1 10 10 LYS N N 10 121.997 121.997 124.719 -2.722 18206
782 1 9 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.050 0.231 18206
783 1 9 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.417 -0.730 18206
784 1 9 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.344 -2.411 18206
785 1 9 . 1 1 10 10 LYS H H 10 8.623 8.623 8.331 0.292 18206
786 1 9 . 1 1 11 11 ARG N N 11 119.929 119.929 115.842 4.087 18206
787 1 9 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.367 -0.104 18206
788 1 9 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.882 0.500 18206
789 1 9 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.661 -0.624 18206
790 1 9 . 1 1 11 11 ARG H H 11 8.339 8.339 7.795 0.544 18206
791 1 9 . 1 1 12 12 GLY N N 12 107.982 107.982 105.468 2.514 18206
792 1 9 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.864 0.438 18206
793 1 9 . 1 1 12 12 GLY H H 12 8.099 8.099 7.619 0.480 18206
794 1 9 . 1 1 13 13 CYS N N 13 118.834 118.834 123.367 -4.533 18206
795 1 9 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.521 0.202 18206
796 1 9 . 1 1 13 13 CYS CA C 13 56.283 56.283 58.124 -1.841 18206
797 1 9 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.413 18.714 18206
798 1 9 . 1 1 13 13 CYS H H 13 8.172 8.172 8.200 -0.028 18206
799 1 9 . 1 1 14 14 GLY N N 14 111.154 111.154 109.158 1.996 18206
800 1 9 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.052 0.357 18206
801 1 9 . 1 1 14 14 GLY H H 14 8.499 8.499 8.358 0.141 18206
802 1 9 . 1 1 15 15 ARG N N 15 119.836 119.836 120.275 -0.439 18206
803 1 9 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.069 -0.256 18206
804 1 9 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.322 0.797 18206
805 1 9 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.090 0.268 18206
806 1 9 . 1 1 15 15 ARG H H 15 8.601 8.601 8.862 -0.261 18206
807 1 9 . 1 1 16 16 TRP N N 16 118.904 118.904 121.825 -2.921 18206
808 1 9 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.438 -0.028 18206
809 1 9 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.692 1.251 18206
810 1 9 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.909 -0.179 18206
811 1 9 . 1 1 16 16 TRP H H 16 8.787 8.787 8.324 0.463 18206
812 1 9 . 1 1 17 17 CYS N N 17 118.726 118.726 119.580 -0.854 18206
813 1 9 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.817 0.616 18206
814 1 9 . 1 1 17 17 CYS CA C 17 59.092 59.092 61.959 -2.866 18206
815 1 9 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.419 12.132 18206
816 1 9 . 1 1 17 17 CYS H H 17 9.016 9.016 8.155 0.861 18206
817 1 9 . 1 1 18 18 ARG N N 18 121.997 121.997 119.955 2.042 18206
818 1 9 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.921 0.026 18206
819 1 9 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.633 0.359 18206
820 1 9 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.167 -0.211 18206
821 1 9 . 1 1 18 18 ARG H H 18 8.824 8.824 8.227 0.597 18206
822 1 9 . 1 1 19 19 ASP N N 19 116.281 116.281 114.576 1.705 18206
823 1 9 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.501 -0.060 18206
824 1 9 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.826 -0.519 18206
825 1 9 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.749 -0.752 18206
826 1 9 . 1 1 19 19 ASP H H 19 7.677 7.677 7.850 -0.173 18206
827 1 9 . 1 1 20 20 HIS N N 20 113.786 113.786 115.895 -2.109 18206
828 1 9 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.570 -0.079 18206
829 1 9 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.784 0.057 18206
830 1 9 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.938 -1.676 18206
831 1 9 . 1 1 20 20 HIS H H 20 7.523 7.523 8.334 -0.811 18206
832 1 9 . 1 1 21 21 SER N N 21 115.298 115.298 113.846 1.452 18206
833 1 9 . 1 1 21 21 SER HA H 21 4.868 4.868 4.563 0.305 18206
834 1 9 . 1 1 21 21 SER CA C 21 57.831 57.831 56.405 1.426 18206
835 1 9 . 1 1 21 21 SER CB C 21 66.406 66.406 64.918 1.488 18206
836 1 9 . 1 1 21 21 SER H H 21 8.084 8.084 8.014 0.070 18206
837 1 9 . 1 1 22 22 ARG N N 22 125.670 125.670 121.282 4.388 18206
838 1 9 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.370 0.042 18206
839 1 9 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.551 0.487 18206
840 1 9 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.470 -0.692 18206
841 1 9 . 1 1 22 22 ARG H H 22 9.189 9.189 8.442 0.747 18206
842 1 9 . 1 1 23 23 CYS N N 23 116.441 116.441 117.216 -0.775 18206
843 1 9 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.839 -0.342 18206
844 1 9 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.123 -0.294 18206
845 1 9 . 1 1 23 23 CYS CB C 23 44.527 44.527 29.077 15.450 18206
846 1 9 . 1 1 23 23 CYS H H 23 8.338 8.338 7.894 0.444 18206
847 1 10 . 1 1 4 4 ARG N N 4 120.207 120.207 121.007 -0.800 18206
848 1 10 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.519 -0.213 18206
849 1 10 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.005 0.195 18206
850 1 10 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.648 0.590 18206
851 1 10 . 1 1 4 4 ARG H H 4 8.773 8.773 8.745 0.028 18206
852 1 10 . 1 1 5 5 CYS N N 5 118.725 118.725 120.236 -1.511 18206
853 1 10 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.402 0.367 18206
854 1 10 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.449 -6.354 18206
855 1 10 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.409 12.952 18206
856 1 10 . 1 1 5 5 CYS H H 5 8.433 8.433 8.402 0.031 18206
857 1 10 . 1 1 6 6 CYS N N 6 115.197 115.197 119.427 -4.230 18206
858 1 10 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.113 0.451 18206
859 1 10 . 1 1 6 6 CYS CA C 6 56.254 56.254 62.392 -6.138 18206
860 1 10 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.198 16.816 18206
861 1 10 . 1 1 6 6 CYS H H 6 8.334 8.334 8.820 -0.486 18206
862 1 10 . 1 1 7 7 LYS N N 7 120.670 120.670 117.732 2.938 18206
863 1 10 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.178 0.147 18206
864 1 10 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.471 -1.565 18206
865 1 10 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.282 0.627 18206
866 1 10 . 1 1 7 7 LYS H H 7 7.978 7.978 8.270 -0.292 18206
867 1 10 . 1 1 8 8 ASN N N 8 117.984 117.984 116.840 1.144 18206
868 1 10 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.646 0.157 18206
869 1 10 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.433 -1.221 18206
870 1 10 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.471 -0.643 18206
871 1 10 . 1 1 8 8 ASN H H 8 8.646 8.646 7.615 1.031 18206
872 1 10 . 1 1 9 9 GLY N N 9 108.754 108.754 110.209 -1.455 18206
873 1 10 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.880 -1.133 18206
874 1 10 . 1 1 9 9 GLY H H 9 8.335 8.335 8.471 -0.136 18206
875 1 10 . 1 1 10 10 LYS N N 10 121.997 121.997 124.529 -2.532 18206
876 1 10 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.160 0.121 18206
877 1 10 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.657 0.030 18206
878 1 10 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.001 -2.068 18206
879 1 10 . 1 1 10 10 LYS H H 10 8.623 8.623 8.245 0.378 18206
880 1 10 . 1 1 11 11 ARG N N 11 119.929 119.929 116.177 3.752 18206
881 1 10 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.400 -0.137 18206
882 1 10 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.936 0.446 18206
883 1 10 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.627 -0.590 18206
884 1 10 . 1 1 11 11 ARG H H 11 8.339 8.339 7.896 0.443 18206
885 1 10 . 1 1 12 12 GLY N N 12 107.982 107.982 107.916 0.066 18206
886 1 10 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.523 -0.221 18206
887 1 10 . 1 1 12 12 GLY H H 12 8.099 8.099 7.555 0.544 18206
888 1 10 . 1 1 13 13 CYS N N 13 118.834 118.834 120.427 -1.593 18206
889 1 10 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.235 0.488 18206
890 1 10 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.747 -4.464 18206
891 1 10 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.936 18.191 18206
892 1 10 . 1 1 13 13 CYS H H 13 8.172 8.172 7.595 0.577 18206
893 1 10 . 1 1 14 14 GLY N N 14 111.154 111.154 113.355 -2.201 18206
894 1 10 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.771 -0.362 18206
895 1 10 . 1 1 14 14 GLY H H 14 8.499 8.499 7.847 0.652 18206
896 1 10 . 1 1 15 15 ARG N N 15 119.836 119.836 120.885 -1.049 18206
897 1 10 . 1 1 15 15 ARG HA H 15 3.813 3.813 3.989 -0.176 18206
898 1 10 . 1 1 15 15 ARG CA C 15 60.119 60.119 60.259 -0.140 18206
899 1 10 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.442 -0.084 18206
900 1 10 . 1 1 15 15 ARG H H 15 8.601 8.601 8.790 -0.189 18206
901 1 10 . 1 1 16 16 TRP N N 16 118.904 118.904 121.629 -2.725 18206
902 1 10 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.565 -0.155 18206
903 1 10 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.468 1.475 18206
904 1 10 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.000 -0.270 18206
905 1 10 . 1 1 16 16 TRP H H 16 8.787 8.787 8.157 0.630 18206
906 1 10 . 1 1 17 17 CYS N N 17 118.726 118.726 120.076 -1.350 18206
907 1 10 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.114 0.319 18206
908 1 10 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.965 -1.873 18206
909 1 10 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.762 12.789 18206
910 1 10 . 1 1 17 17 CYS H H 17 9.016 9.016 8.851 0.165 18206
911 1 10 . 1 1 18 18 ARG N N 18 121.997 121.997 120.015 1.982 18206
912 1 10 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.003 -0.056 18206
913 1 10 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.219 0.773 18206
914 1 10 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.070 -0.114 18206
915 1 10 . 1 1 18 18 ARG H H 18 8.824 8.824 8.674 0.150 18206
916 1 10 . 1 1 19 19 ASP N N 19 116.281 116.281 116.200 0.081 18206
917 1 10 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.530 -0.089 18206
918 1 10 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.086 -0.779 18206
919 1 10 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.038 -1.041 18206
920 1 10 . 1 1 19 19 ASP H H 19 7.677 7.677 7.671 0.006 18206
921 1 10 . 1 1 20 20 HIS N N 20 113.786 113.786 115.998 -2.212 18206
922 1 10 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.446 0.045 18206
923 1 10 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.995 -0.154 18206
924 1 10 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.818 -1.556 18206
925 1 10 . 1 1 20 20 HIS H H 20 7.523 7.523 8.253 -0.730 18206
926 1 10 . 1 1 21 21 SER N N 21 115.298 115.298 114.733 0.565 18206
927 1 10 . 1 1 21 21 SER HA H 21 4.868 4.868 4.459 0.409 18206
928 1 10 . 1 1 21 21 SER CA C 21 57.831 57.831 58.111 -0.280 18206
929 1 10 . 1 1 21 21 SER CB C 21 66.406 66.406 64.634 1.772 18206
930 1 10 . 1 1 21 21 SER H H 21 8.084 8.084 7.845 0.239 18206
931 1 10 . 1 1 22 22 ARG N N 22 125.670 125.670 121.685 3.985 18206
932 1 10 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.391 0.021 18206
933 1 10 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.727 0.311 18206
934 1 10 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.570 -0.792 18206
935 1 10 . 1 1 22 22 ARG H H 22 9.189 9.189 8.524 0.665 18206
936 1 10 . 1 1 23 23 CYS N N 23 116.441 116.441 119.377 -2.936 18206
937 1 10 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.663 -0.166 18206
938 1 10 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.009 -0.180 18206
939 1 10 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.402 17.125 18206
940 1 10 . 1 1 23 23 CYS H H 23 8.338 8.338 8.090 0.248 18206
941 1 11 . 1 1 4 4 ARG N N 4 120.207 120.207 121.741 -1.534 18206
942 1 11 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.061 0.245 18206
943 1 11 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.123 -0.923 18206
944 1 11 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.436 0.802 18206
945 1 11 . 1 1 4 4 ARG H H 4 8.773 8.773 8.875 -0.102 18206
946 1 11 . 1 1 5 5 CYS N N 5 118.725 118.725 118.357 0.368 18206
947 1 11 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.301 0.468 18206
948 1 11 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.056 -6.961 18206
949 1 11 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.027 13.334 18206
950 1 11 . 1 1 5 5 CYS H H 5 8.433 8.433 8.292 0.141 18206
951 1 11 . 1 1 6 6 CYS N N 6 115.197 115.197 119.097 -3.900 18206
952 1 11 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.172 0.392 18206
953 1 11 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.669 -5.415 18206
954 1 11 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.103 16.911 18206
955 1 11 . 1 1 6 6 CYS H H 6 8.334 8.334 8.642 -0.308 18206
956 1 11 . 1 1 7 7 LYS N N 7 120.670 120.670 117.911 2.759 18206
957 1 11 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.121 0.204 18206
958 1 11 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.559 -1.652 18206
959 1 11 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.403 0.506 18206
960 1 11 . 1 1 7 7 LYS H H 7 7.978 7.978 8.447 -0.469 18206
961 1 11 . 1 1 8 8 ASN N N 8 117.984 117.984 116.554 1.430 18206
962 1 11 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.709 0.094 18206
963 1 11 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.376 -1.164 18206
964 1 11 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.009 -1.181 18206
965 1 11 . 1 1 8 8 ASN H H 8 8.646 8.646 7.867 0.779 18206
966 1 11 . 1 1 9 9 GLY N N 9 108.754 108.754 109.754 -1.000 18206
967 1 11 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.012 -1.265 18206
968 1 11 . 1 1 9 9 GLY H H 9 8.335 8.335 8.247 0.088 18206
969 1 11 . 1 1 10 10 LYS N N 10 121.997 121.997 124.743 -2.746 18206
970 1 11 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.048 0.233 18206
971 1 11 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.512 -0.825 18206
972 1 11 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.229 -2.296 18206
973 1 11 . 1 1 10 10 LYS H H 10 8.623 8.623 8.451 0.172 18206
974 1 11 . 1 1 11 11 ARG N N 11 119.929 119.929 115.979 3.950 18206
975 1 11 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.337 -0.074 18206
976 1 11 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.943 0.439 18206
977 1 11 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.582 -0.545 18206
978 1 11 . 1 1 11 11 ARG H H 11 8.339 8.339 8.030 0.309 18206
979 1 11 . 1 1 12 12 GLY N N 12 107.982 107.982 107.802 0.180 18206
980 1 11 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.693 -0.391 18206
981 1 11 . 1 1 12 12 GLY H H 12 8.099 8.099 7.663 0.436 18206
982 1 11 . 1 1 13 13 CYS N N 13 118.834 118.834 120.047 -1.213 18206
983 1 11 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.262 0.461 18206
984 1 11 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.369 -4.086 18206
985 1 11 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.202 17.925 18206
986 1 11 . 1 1 13 13 CYS H H 13 8.172 8.172 7.692 0.480 18206
987 1 11 . 1 1 14 14 GLY N N 14 111.154 111.154 113.339 -2.185 18206
988 1 11 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.803 -0.394 18206
989 1 11 . 1 1 14 14 GLY H H 14 8.499 8.499 7.886 0.613 18206
990 1 11 . 1 1 15 15 ARG N N 15 119.836 119.836 120.904 -1.068 18206
991 1 11 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.027 -0.214 18206
992 1 11 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.478 0.641 18206
993 1 11 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.606 -0.248 18206
994 1 11 . 1 1 15 15 ARG H H 15 8.601 8.601 8.802 -0.201 18206
995 1 11 . 1 1 16 16 TRP N N 16 118.904 118.904 122.110 -3.206 18206
996 1 11 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.555 -0.145 18206
997 1 11 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.624 1.319 18206
998 1 11 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.879 -0.149 18206
999 1 11 . 1 1 16 16 TRP H H 16 8.787 8.787 8.153 0.634 18206
1000 1 11 . 1 1 17 17 CYS N N 17 118.726 118.726 119.067 -0.341 18206
1001 1 11 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.263 0.170 18206
1002 1 11 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.718 -1.625 18206
1003 1 11 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.225 12.326 18206
1004 1 11 . 1 1 17 17 CYS H H 17 9.016 9.016 8.675 0.341 18206
1005 1 11 . 1 1 18 18 ARG N N 18 121.997 121.997 119.523 2.474 18206
1006 1 11 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.010 -0.063 18206
1007 1 11 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.535 0.457 18206
1008 1 11 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.349 -0.393 18206
1009 1 11 . 1 1 18 18 ARG H H 18 8.824 8.824 8.421 0.403 18206
1010 1 11 . 1 1 19 19 ASP N N 19 116.281 116.281 117.282 -1.001 18206
1011 1 11 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.540 -0.099 18206
1012 1 11 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.897 -1.590 18206
1013 1 11 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.396 -0.399 18206
1014 1 11 . 1 1 19 19 ASP H H 19 7.677 7.677 7.976 -0.299 18206
1015 1 11 . 1 1 20 20 HIS N N 20 113.786 113.786 117.527 -3.741 18206
1016 1 11 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.409 0.082 18206
1017 1 11 . 1 1 20 20 HIS CA C 20 56.841 56.841 58.422 -1.581 18206
1018 1 11 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.334 -1.072 18206
1019 1 11 . 1 1 20 20 HIS H H 20 7.523 7.523 8.538 -1.015 18206
1020 1 11 . 1 1 21 21 SER N N 21 115.298 115.298 114.015 1.283 18206
1021 1 11 . 1 1 21 21 SER HA H 21 4.868 4.868 4.336 0.532 18206
1022 1 11 . 1 1 21 21 SER CA C 21 57.831 57.831 59.224 -1.393 18206
1023 1 11 . 1 1 21 21 SER CB C 21 66.406 66.406 64.158 2.248 18206
1024 1 11 . 1 1 21 21 SER H H 21 8.084 8.084 7.323 0.761 18206
1025 1 11 . 1 1 22 22 ARG N N 22 125.670 125.670 119.388 6.282 18206
1026 1 11 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.445 -0.033 18206
1027 1 11 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.712 1.326 18206
1028 1 11 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.297 -0.519 18206
1029 1 11 . 1 1 22 22 ARG H H 22 9.189 9.189 8.496 0.693 18206
1030 1 11 . 1 1 23 23 CYS N N 23 116.441 116.441 118.363 -1.922 18206
1031 1 11 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.699 -0.202 18206
1032 1 11 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.712 -0.882 18206
1033 1 11 . 1 1 23 23 CYS CB C 23 44.527 44.527 28.015 16.512 18206
1034 1 11 . 1 1 23 23 CYS H H 23 8.338 8.338 7.847 0.491 18206
1035 1 12 . 1 1 4 4 ARG N N 4 120.207 120.207 121.216 -1.009 18206
1036 1 12 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.492 -0.186 18206
1037 1 12 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.142 0.058 18206
1038 1 12 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.556 0.682 18206
1039 1 12 . 1 1 4 4 ARG H H 4 8.773 8.773 8.653 0.120 18206
1040 1 12 . 1 1 5 5 CYS N N 5 118.725 118.725 120.625 -1.900 18206
1041 1 12 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.309 0.460 18206
1042 1 12 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.001 -6.906 18206
1043 1 12 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.030 13.331 18206
1044 1 12 . 1 1 5 5 CYS H H 5 8.433 8.433 8.478 -0.045 18206
1045 1 12 . 1 1 6 6 CYS N N 6 115.197 115.197 119.664 -4.467 18206
1046 1 12 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.184 0.380 18206
1047 1 12 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.823 -5.569 18206
1048 1 12 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.255 16.759 18206
1049 1 12 . 1 1 6 6 CYS H H 6 8.334 8.334 8.807 -0.473 18206
1050 1 12 . 1 1 7 7 LYS N N 7 120.670 120.670 117.326 3.344 18206
1051 1 12 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.264 0.061 18206
1052 1 12 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.538 -1.631 18206
1053 1 12 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.417 0.492 18206
1054 1 12 . 1 1 7 7 LYS H H 7 7.978 7.978 8.109 -0.131 18206
1055 1 12 . 1 1 8 8 ASN N N 8 117.984 117.984 116.481 1.503 18206
1056 1 12 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.691 0.112 18206
1057 1 12 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.359 -1.147 18206
1058 1 12 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.033 -1.205 18206
1059 1 12 . 1 1 8 8 ASN H H 8 8.646 8.646 7.906 0.740 18206
1060 1 12 . 1 1 9 9 GLY N N 9 108.754 108.754 109.778 -1.024 18206
1061 1 12 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.659 -0.912 18206
1062 1 12 . 1 1 9 9 GLY H H 9 8.335 8.335 8.169 0.166 18206
1063 1 12 . 1 1 10 10 LYS N N 10 121.997 121.997 124.941 -2.944 18206
1064 1 12 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.123 0.158 18206
1065 1 12 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.213 -0.526 18206
1066 1 12 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.475 -2.542 18206
1067 1 12 . 1 1 10 10 LYS H H 10 8.623 8.623 8.375 0.248 18206
1068 1 12 . 1 1 11 11 ARG N N 11 119.929 119.929 115.778 4.151 18206
1069 1 12 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.281 -0.018 18206
1070 1 12 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.345 0.037 18206
1071 1 12 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.570 -0.533 18206
1072 1 12 . 1 1 11 11 ARG H H 11 8.339 8.339 7.767 0.572 18206
1073 1 12 . 1 1 12 12 GLY N N 12 107.982 107.982 106.301 1.681 18206
1074 1 12 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.294 0.008 18206
1075 1 12 . 1 1 12 12 GLY H H 12 8.099 8.099 7.492 0.607 18206
1076 1 12 . 1 1 13 13 CYS N N 13 118.834 118.834 122.507 -3.673 18206
1077 1 12 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.397 0.326 18206
1078 1 12 . 1 1 13 13 CYS CA C 13 56.283 56.283 59.199 -2.916 18206
1079 1 12 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.264 18.863 18206
1080 1 12 . 1 1 13 13 CYS H H 13 8.172 8.172 7.639 0.533 18206
1081 1 12 . 1 1 14 14 GLY N N 14 111.154 111.154 110.922 0.232 18206
1082 1 12 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.092 0.317 18206
1083 1 12 . 1 1 14 14 GLY H H 14 8.499 8.499 8.471 0.028 18206
1084 1 12 . 1 1 15 15 ARG N N 15 119.836 119.836 121.210 -1.374 18206
1085 1 12 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.049 -0.236 18206
1086 1 12 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.156 0.964 18206
1087 1 12 . 1 1 15 15 ARG CB C 15 30.358 30.358 29.985 0.373 18206
1088 1 12 . 1 1 15 15 ARG H H 15 8.601 8.601 8.902 -0.301 18206
1089 1 12 . 1 1 16 16 TRP N N 16 118.904 118.904 122.006 -3.102 18206
1090 1 12 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.490 -0.081 18206
1091 1 12 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.557 1.386 18206
1092 1 12 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.937 -0.207 18206
1093 1 12 . 1 1 16 16 TRP H H 16 8.787 8.787 8.309 0.478 18206
1094 1 12 . 1 1 17 17 CYS N N 17 118.726 118.726 119.942 -1.216 18206
1095 1 12 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.155 0.278 18206
1096 1 12 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.800 -1.708 18206
1097 1 12 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.943 12.608 18206
1098 1 12 . 1 1 17 17 CYS H H 17 9.016 9.016 8.089 0.927 18206
1099 1 12 . 1 1 18 18 ARG N N 18 121.997 121.997 120.255 1.742 18206
1100 1 12 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.897 0.050 18206
1101 1 12 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.502 0.490 18206
1102 1 12 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.189 -0.233 18206
1103 1 12 . 1 1 18 18 ARG H H 18 8.824 8.824 8.342 0.482 18206
1104 1 12 . 1 1 19 19 ASP N N 19 116.281 116.281 114.719 1.562 18206
1105 1 12 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.509 -0.068 18206
1106 1 12 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.783 -1.476 18206
1107 1 12 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.982 -0.985 18206
1108 1 12 . 1 1 19 19 ASP H H 19 7.677 7.677 7.561 0.116 18206
1109 1 12 . 1 1 20 20 HIS N N 20 113.786 113.786 116.376 -2.590 18206
1110 1 12 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.384 0.107 18206
1111 1 12 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.816 -0.975 18206
1112 1 12 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.281 -1.019 18206
1113 1 12 . 1 1 20 20 HIS H H 20 7.523 7.523 8.357 -0.834 18206
1114 1 12 . 1 1 21 21 SER N N 21 115.298 115.298 112.899 2.399 18206
1115 1 12 . 1 1 21 21 SER HA H 21 4.868 4.868 4.524 0.344 18206
1116 1 12 . 1 1 21 21 SER CA C 21 57.831 57.831 58.164 -0.333 18206
1117 1 12 . 1 1 21 21 SER CB C 21 66.406 66.406 64.934 1.472 18206
1118 1 12 . 1 1 21 21 SER H H 21 8.084 8.084 7.662 0.422 18206
1119 1 12 . 1 1 22 22 ARG N N 22 125.670 125.670 120.940 4.730 18206
1120 1 12 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.277 0.135 18206
1121 1 12 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.735 0.303 18206
1122 1 12 . 1 1 22 22 ARG CB C 22 29.778 29.778 29.875 -0.097 18206
1123 1 12 . 1 1 22 22 ARG H H 22 9.189 9.189 8.595 0.594 18206
1124 1 12 . 1 1 23 23 CYS N N 23 116.441 116.441 117.210 -0.769 18206
1125 1 12 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.881 -0.384 18206
1126 1 12 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.173 -0.344 18206
1127 1 12 . 1 1 23 23 CYS CB C 23 44.527 44.527 28.046 16.481 18206
1128 1 12 . 1 1 23 23 CYS H H 23 8.338 8.338 8.044 0.294 18206
1129 1 13 . 1 1 4 4 ARG N N 4 120.207 120.207 122.019 -1.812 18206
1130 1 13 . 1 1 4 4 ARG HA H 4 4.306 4.306 3.969 0.337 18206
1131 1 13 . 1 1 4 4 ARG CA C 4 57.199 57.199 59.082 -1.883 18206
1132 1 13 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.905 0.333 18206
1133 1 13 . 1 1 4 4 ARG H H 4 8.773 8.773 8.631 0.142 18206
1134 1 13 . 1 1 5 5 CYS N N 5 118.725 118.725 118.864 -0.139 18206
1135 1 13 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.321 0.448 18206
1136 1 13 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.394 -7.299 18206
1137 1 13 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.692 13.669 18206
1138 1 13 . 1 1 5 5 CYS H H 5 8.433 8.433 8.362 0.071 18206
1139 1 13 . 1 1 6 6 CYS N N 6 115.197 115.197 117.951 -2.754 18206
1140 1 13 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.308 0.257 18206
1141 1 13 . 1 1 6 6 CYS CA C 6 56.254 56.254 60.492 -4.237 18206
1142 1 13 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.140 16.874 18206
1143 1 13 . 1 1 6 6 CYS H H 6 8.334 8.334 8.702 -0.368 18206
1144 1 13 . 1 1 7 7 LYS N N 7 120.670 120.670 119.477 1.193 18206
1145 1 13 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.251 0.074 18206
1146 1 13 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.267 -1.360 18206
1147 1 13 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.670 0.239 18206
1148 1 13 . 1 1 7 7 LYS H H 7 7.978 7.978 8.430 -0.452 18206
1149 1 13 . 1 1 8 8 ASN N N 8 117.984 117.984 116.688 1.296 18206
1150 1 13 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.799 0.004 18206
1151 1 13 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.375 -1.163 18206
1152 1 13 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.302 -1.474 18206
1153 1 13 . 1 1 8 8 ASN H H 8 8.646 8.646 8.447 0.199 18206
1154 1 13 . 1 1 9 9 GLY N N 9 108.754 108.754 109.602 -0.848 18206
1155 1 13 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.833 -1.086 18206
1156 1 13 . 1 1 9 9 GLY H H 9 8.335 8.335 7.666 0.669 18206
1157 1 13 . 1 1 10 10 LYS N N 10 121.997 121.997 124.449 -2.452 18206
1158 1 13 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.062 0.219 18206
1159 1 13 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.351 -0.664 18206
1160 1 13 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.349 -2.416 18206
1161 1 13 . 1 1 10 10 LYS H H 10 8.623 8.623 8.424 0.199 18206
1162 1 13 . 1 1 11 11 ARG N N 11 119.929 119.929 116.276 3.653 18206
1163 1 13 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.318 -0.055 18206
1164 1 13 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.416 -0.034 18206
1165 1 13 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.490 -0.453 18206
1166 1 13 . 1 1 11 11 ARG H H 11 8.339 8.339 7.985 0.354 18206
1167 1 13 . 1 1 12 12 GLY N N 12 107.982 107.982 107.872 0.110 18206
1168 1 13 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.746 -0.444 18206
1169 1 13 . 1 1 12 12 GLY H H 12 8.099 8.099 7.418 0.681 18206
1170 1 13 . 1 1 13 13 CYS N N 13 118.834 118.834 121.745 -2.911 18206
1171 1 13 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.286 0.437 18206
1172 1 13 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.314 -4.031 18206
1173 1 13 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.017 18.110 18206
1174 1 13 . 1 1 13 13 CYS H H 13 8.172 8.172 7.584 0.588 18206
1175 1 13 . 1 1 14 14 GLY N N 14 111.154 111.154 114.042 -2.888 18206
1176 1 13 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.083 -0.674 18206
1177 1 13 . 1 1 14 14 GLY H H 14 8.499 8.499 7.588 0.911 18206
1178 1 13 . 1 1 15 15 ARG N N 15 119.836 119.836 120.023 -0.187 18206
1179 1 13 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.021 -0.208 18206
1180 1 13 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.181 0.938 18206
1181 1 13 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.448 -0.090 18206
1182 1 13 . 1 1 15 15 ARG H H 15 8.601 8.601 8.805 -0.204 18206
1183 1 13 . 1 1 16 16 TRP N N 16 118.904 118.904 122.249 -3.345 18206
1184 1 13 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.564 -0.154 18206
1185 1 13 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.519 1.424 18206
1186 1 13 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.185 -0.455 18206
1187 1 13 . 1 1 16 16 TRP H H 16 8.787 8.787 8.173 0.614 18206
1188 1 13 . 1 1 17 17 CYS N N 17 118.726 118.726 119.947 -1.221 18206
1189 1 13 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.170 0.263 18206
1190 1 13 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.657 -1.565 18206
1191 1 13 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.896 12.655 18206
1192 1 13 . 1 1 17 17 CYS H H 17 9.016 9.016 8.751 0.265 18206
1193 1 13 . 1 1 18 18 ARG N N 18 121.997 121.997 120.274 1.723 18206
1194 1 13 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.143 -0.196 18206
1195 1 13 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.178 0.814 18206
1196 1 13 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.222 -0.266 18206
1197 1 13 . 1 1 18 18 ARG H H 18 8.824 8.824 8.690 0.134 18206
1198 1 13 . 1 1 19 19 ASP N N 19 116.281 116.281 114.661 1.620 18206
1199 1 13 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.502 -0.061 18206
1200 1 13 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.120 -0.813 18206
1201 1 13 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.836 -0.838 18206
1202 1 13 . 1 1 19 19 ASP H H 19 7.677 7.677 7.719 -0.042 18206
1203 1 13 . 1 1 20 20 HIS N N 20 113.786 113.786 115.985 -2.199 18206
1204 1 13 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.409 0.082 18206
1205 1 13 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.403 -0.562 18206
1206 1 13 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.185 -1.923 18206
1207 1 13 . 1 1 20 20 HIS H H 20 7.523 7.523 8.294 -0.771 18206
1208 1 13 . 1 1 21 21 SER N N 21 115.298 115.298 115.529 -0.231 18206
1209 1 13 . 1 1 21 21 SER HA H 21 4.868 4.868 4.426 0.442 18206
1210 1 13 . 1 1 21 21 SER CA C 21 57.831 57.831 58.559 -0.728 18206
1211 1 13 . 1 1 21 21 SER CB C 21 66.406 66.406 64.366 2.040 18206
1212 1 13 . 1 1 21 21 SER H H 21 8.084 8.084 7.676 0.408 18206
1213 1 13 . 1 1 22 22 ARG N N 22 125.670 125.670 121.706 3.964 18206
1214 1 13 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.287 0.125 18206
1215 1 13 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.884 0.154 18206
1216 1 13 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.367 -0.589 18206
1217 1 13 . 1 1 22 22 ARG H H 22 9.189 9.189 8.450 0.739 18206
1218 1 13 . 1 1 23 23 CYS N N 23 116.441 116.441 118.730 -2.289 18206
1219 1 13 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.625 -0.128 18206
1220 1 13 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.567 -0.738 18206
1221 1 13 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.194 17.333 18206
1222 1 13 . 1 1 23 23 CYS H H 23 8.338 8.338 8.165 0.173 18206
1223 1 14 . 1 1 4 4 ARG N N 4 120.207 120.207 121.339 -1.132 18206
1224 1 14 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.005 0.301 18206
1225 1 14 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.070 -0.871 18206
1226 1 14 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.039 1.199 18206
1227 1 14 . 1 1 4 4 ARG H H 4 8.773 8.773 8.856 -0.083 18206
1228 1 14 . 1 1 5 5 CYS N N 5 118.725 118.725 119.603 -0.878 18206
1229 1 14 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.466 0.303 18206
1230 1 14 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.331 -6.237 18206
1231 1 14 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.832 13.529 18206
1232 1 14 . 1 1 5 5 CYS H H 5 8.433 8.433 8.602 -0.169 18206
1233 1 14 . 1 1 6 6 CYS N N 6 115.197 115.197 119.596 -4.399 18206
1234 1 14 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.232 0.332 18206
1235 1 14 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.338 -5.084 18206
1236 1 14 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.254 16.760 18206
1237 1 14 . 1 1 6 6 CYS H H 6 8.334 8.334 8.648 -0.314 18206
1238 1 14 . 1 1 7 7 LYS N N 7 120.670 120.670 118.615 2.055 18206
1239 1 14 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.206 0.119 18206
1240 1 14 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.149 -1.242 18206
1241 1 14 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.472 0.437 18206
1242 1 14 . 1 1 7 7 LYS H H 7 7.978 7.978 8.362 -0.384 18206
1243 1 14 . 1 1 8 8 ASN N N 8 117.984 117.984 116.107 1.877 18206
1244 1 14 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.708 0.095 18206
1245 1 14 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.951 -0.739 18206
1246 1 14 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.115 -1.287 18206
1247 1 14 . 1 1 8 8 ASN H H 8 8.646 8.646 7.661 0.985 18206
1248 1 14 . 1 1 9 9 GLY N N 9 108.754 108.754 110.042 -1.288 18206
1249 1 14 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.925 -1.178 18206
1250 1 14 . 1 1 9 9 GLY H H 9 8.335 8.335 8.190 0.145 18206
1251 1 14 . 1 1 10 10 LYS N N 10 121.997 121.997 124.270 -2.273 18206
1252 1 14 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.086 0.195 18206
1253 1 14 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.182 -0.495 18206
1254 1 14 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.240 -2.307 18206
1255 1 14 . 1 1 10 10 LYS H H 10 8.623 8.623 8.267 0.356 18206
1256 1 14 . 1 1 11 11 ARG N N 11 119.929 119.929 115.656 4.273 18206
1257 1 14 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.352 -0.089 18206
1258 1 14 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.217 0.165 18206
1259 1 14 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.553 -0.516 18206
1260 1 14 . 1 1 11 11 ARG H H 11 8.339 8.339 8.069 0.270 18206
1261 1 14 . 1 1 12 12 GLY N N 12 107.982 107.982 106.800 1.182 18206
1262 1 14 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.088 0.214 18206
1263 1 14 . 1 1 12 12 GLY H H 12 8.099 8.099 7.456 0.643 18206
1264 1 14 . 1 1 13 13 CYS N N 13 118.834 118.834 120.061 -1.227 18206
1265 1 14 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.342 0.381 18206
1266 1 14 . 1 1 13 13 CYS CA C 13 56.283 56.283 61.146 -4.863 18206
1267 1 14 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.678 17.449 18206
1268 1 14 . 1 1 13 13 CYS H H 13 8.172 8.172 7.731 0.441 18206
1269 1 14 . 1 1 14 14 GLY N N 14 111.154 111.154 112.290 -1.136 18206
1270 1 14 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.985 -0.576 18206
1271 1 14 . 1 1 14 14 GLY H H 14 8.499 8.499 7.725 0.774 18206
1272 1 14 . 1 1 15 15 ARG N N 15 119.836 119.836 119.805 0.031 18206
1273 1 14 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.055 -0.242 18206
1274 1 14 . 1 1 15 15 ARG CA C 15 60.119 60.119 58.929 1.190 18206
1275 1 14 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.310 0.048 18206
1276 1 14 . 1 1 15 15 ARG H H 15 8.601 8.601 8.721 -0.120 18206
1277 1 14 . 1 1 16 16 TRP N N 16 118.904 118.904 121.472 -2.568 18206
1278 1 14 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.489 -0.079 18206
1279 1 14 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.372 1.571 18206
1280 1 14 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.950 -0.220 18206
1281 1 14 . 1 1 16 16 TRP H H 16 8.787 8.787 8.208 0.579 18206
1282 1 14 . 1 1 17 17 CYS N N 17 118.726 118.726 119.837 -1.111 18206
1283 1 14 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.204 0.229 18206
1284 1 14 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.941 -1.849 18206
1285 1 14 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.167 12.384 18206
1286 1 14 . 1 1 17 17 CYS H H 17 9.016 9.016 8.196 0.820 18206
1287 1 14 . 1 1 18 18 ARG N N 18 121.997 121.997 119.400 2.597 18206
1288 1 14 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.999 -0.052 18206
1289 1 14 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.495 0.497 18206
1290 1 14 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.120 -0.165 18206
1291 1 14 . 1 1 18 18 ARG H H 18 8.824 8.824 8.417 0.407 18206
1292 1 14 . 1 1 19 19 ASP N N 19 116.281 116.281 115.442 0.839 18206
1293 1 14 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.583 -0.142 18206
1294 1 14 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.198 -0.891 18206
1295 1 14 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.082 -1.085 18206
1296 1 14 . 1 1 19 19 ASP H H 19 7.677 7.677 7.752 -0.075 18206
1297 1 14 . 1 1 20 20 HIS N N 20 113.786 113.786 115.919 -2.133 18206
1298 1 14 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.498 -0.007 18206
1299 1 14 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.050 -0.209 18206
1300 1 14 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.956 -1.694 18206
1301 1 14 . 1 1 20 20 HIS H H 20 7.523 7.523 8.429 -0.906 18206
1302 1 14 . 1 1 21 21 SER N N 21 115.298 115.298 114.808 0.490 18206
1303 1 14 . 1 1 21 21 SER HA H 21 4.868 4.868 4.699 0.169 18206
1304 1 14 . 1 1 21 21 SER CA C 21 57.831 57.831 57.489 0.342 18206
1305 1 14 . 1 1 21 21 SER CB C 21 66.406 66.406 65.234 1.172 18206
1306 1 14 . 1 1 21 21 SER H H 21 8.084 8.084 7.992 0.092 18206
1307 1 14 . 1 1 22 22 ARG N N 22 125.670 125.670 120.889 4.781 18206
1308 1 14 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.496 -0.084 18206
1309 1 14 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.118 0.920 18206
1310 1 14 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.330 -0.552 18206
1311 1 14 . 1 1 22 22 ARG H H 22 9.189 9.189 8.606 0.583 18206
1312 1 14 . 1 1 23 23 CYS N N 23 116.441 116.441 119.399 -2.958 18206
1313 1 14 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.695 -0.198 18206
1314 1 14 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.014 -0.185 18206
1315 1 14 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.275 17.252 18206
1316 1 14 . 1 1 23 23 CYS H H 23 8.338 8.338 8.055 0.283 18206
1317 1 15 . 1 1 4 4 ARG N N 4 120.207 120.207 121.439 -1.232 18206
1318 1 15 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.122 0.184 18206
1319 1 15 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.025 -0.826 18206
1320 1 15 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.477 0.761 18206
1321 1 15 . 1 1 4 4 ARG H H 4 8.773 8.773 8.682 0.091 18206
1322 1 15 . 1 1 5 5 CYS N N 5 118.725 118.725 120.169 -1.444 18206
1323 1 15 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.144 0.625 18206
1324 1 15 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.085 -6.990 18206
1325 1 15 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.905 13.456 18206
1326 1 15 . 1 1 5 5 CYS H H 5 8.433 8.433 8.511 -0.078 18206
1327 1 15 . 1 1 6 6 CYS N N 6 115.197 115.197 119.981 -4.784 18206
1328 1 15 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.206 0.358 18206
1329 1 15 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.885 -5.631 18206
1330 1 15 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.730 17.284 18206
1331 1 15 . 1 1 6 6 CYS H H 6 8.334 8.334 8.787 -0.453 18206
1332 1 15 . 1 1 7 7 LYS N N 7 120.670 120.670 118.907 1.763 18206
1333 1 15 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.164 0.161 18206
1334 1 15 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.725 -1.818 18206
1335 1 15 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.633 0.276 18206
1336 1 15 . 1 1 7 7 LYS H H 7 7.978 7.978 7.587 0.391 18206
1337 1 15 . 1 1 8 8 ASN N N 8 117.984 117.984 116.212 1.772 18206
1338 1 15 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.589 0.214 18206
1339 1 15 . 1 1 8 8 ASN CA C 8 53.212 53.212 55.111 -1.899 18206
1340 1 15 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.661 -0.833 18206
1341 1 15 . 1 1 8 8 ASN H H 8 8.646 8.646 8.403 0.243 18206
1342 1 15 . 1 1 9 9 GLY N N 9 108.754 108.754 109.480 -0.726 18206
1343 1 15 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.734 -0.987 18206
1344 1 15 . 1 1 9 9 GLY H H 9 8.335 8.335 8.535 -0.200 18206
1345 1 15 . 1 1 10 10 LYS N N 10 121.997 121.997 125.249 -3.252 18206
1346 1 15 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.096 0.185 18206
1347 1 15 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.468 -0.781 18206
1348 1 15 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.524 -2.591 18206
1349 1 15 . 1 1 10 10 LYS H H 10 8.623 8.623 8.328 0.295 18206
1350 1 15 . 1 1 11 11 ARG N N 11 119.929 119.929 116.070 3.859 18206
1351 1 15 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.299 -0.036 18206
1352 1 15 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.635 -0.253 18206
1353 1 15 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.642 -0.605 18206
1354 1 15 . 1 1 11 11 ARG H H 11 8.339 8.339 7.744 0.595 18206
1355 1 15 . 1 1 12 12 GLY N N 12 107.982 107.982 107.641 0.341 18206
1356 1 15 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.418 -0.116 18206
1357 1 15 . 1 1 12 12 GLY H H 12 8.099 8.099 7.276 0.823 18206
1358 1 15 . 1 1 13 13 CYS N N 13 118.834 118.834 121.987 -3.153 18206
1359 1 15 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.168 0.555 18206
1360 1 15 . 1 1 13 13 CYS CA C 13 56.283 56.283 61.168 -4.885 18206
1361 1 15 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.706 18.421 18206
1362 1 15 . 1 1 13 13 CYS H H 13 8.172 8.172 8.000 0.172 18206
1363 1 15 . 1 1 14 14 GLY N N 14 111.154 111.154 112.744 -1.590 18206
1364 1 15 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.237 -0.828 18206
1365 1 15 . 1 1 14 14 GLY H H 14 8.499 8.499 7.583 0.916 18206
1366 1 15 . 1 1 15 15 ARG N N 15 119.836 119.836 119.275 0.561 18206
1367 1 15 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.064 -0.251 18206
1368 1 15 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.091 1.028 18206
1369 1 15 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.157 0.201 18206
1370 1 15 . 1 1 15 15 ARG H H 15 8.601 8.601 8.755 -0.154 18206
1371 1 15 . 1 1 16 16 TRP N N 16 118.904 118.904 121.533 -2.629 18206
1372 1 15 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.595 -0.185 18206
1373 1 15 . 1 1 16 16 TRP CA C 16 62.943 62.943 60.743 2.200 18206
1374 1 15 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.917 -0.187 18206
1375 1 15 . 1 1 16 16 TRP H H 16 8.787 8.787 7.670 1.117 18206
1376 1 15 . 1 1 17 17 CYS N N 17 118.726 118.726 120.210 -1.484 18206
1377 1 15 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.175 0.258 18206
1378 1 15 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.943 -1.851 18206
1379 1 15 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.786 12.765 18206
1380 1 15 . 1 1 17 17 CYS H H 17 9.016 9.016 8.767 0.249 18206
1381 1 15 . 1 1 18 18 ARG N N 18 121.997 121.997 119.504 2.493 18206
1382 1 15 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.985 -0.038 18206
1383 1 15 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.438 0.554 18206
1384 1 15 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.142 -0.186 18206
1385 1 15 . 1 1 18 18 ARG H H 18 8.824 8.824 8.622 0.202 18206
1386 1 15 . 1 1 19 19 ASP N N 19 116.281 116.281 114.652 1.629 18206
1387 1 15 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.528 -0.087 18206
1388 1 15 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.938 -0.631 18206
1389 1 15 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.896 -0.899 18206
1390 1 15 . 1 1 19 19 ASP H H 19 7.677 7.677 7.624 0.053 18206
1391 1 15 . 1 1 20 20 HIS N N 20 113.786 113.786 115.738 -1.952 18206
1392 1 15 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.450 0.041 18206
1393 1 15 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.745 -0.904 18206
1394 1 15 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.548 -2.286 18206
1395 1 15 . 1 1 20 20 HIS H H 20 7.523 7.523 8.341 -0.818 18206
1396 1 15 . 1 1 21 21 SER N N 21 115.298 115.298 114.752 0.546 18206
1397 1 15 . 1 1 21 21 SER HA H 21 4.868 4.868 4.504 0.364 18206
1398 1 15 . 1 1 21 21 SER CA C 21 57.831 57.831 57.952 -0.121 18206
1399 1 15 . 1 1 21 21 SER CB C 21 66.406 66.406 64.857 1.549 18206
1400 1 15 . 1 1 21 21 SER H H 21 8.084 8.084 7.811 0.273 18206
1401 1 15 . 1 1 22 22 ARG N N 22 125.670 125.670 120.737 4.933 18206
1402 1 15 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.488 -0.076 18206
1403 1 15 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.446 0.592 18206
1404 1 15 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.065 -0.287 18206
1405 1 15 . 1 1 22 22 ARG H H 22 9.189 9.189 8.558 0.631 18206
1406 1 15 . 1 1 23 23 CYS N N 23 116.441 116.441 120.186 -3.745 18206
1407 1 15 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.736 -0.239 18206
1408 1 15 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.357 -0.528 18206
1409 1 15 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.845 17.682 18206
1410 1 15 . 1 1 23 23 CYS H H 23 8.338 8.338 7.819 0.519 18206
1411 1 16 . 1 1 4 4 ARG N N 4 120.207 120.207 121.791 -1.584 18206
1412 1 16 . 1 1 4 4 ARG HA H 4 4.306 4.306 3.975 0.331 18206
1413 1 16 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.945 -1.746 18206
1414 1 16 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.705 0.533 18206
1415 1 16 . 1 1 4 4 ARG H H 4 8.773 8.773 8.776 -0.003 18206
1416 1 16 . 1 1 5 5 CYS N N 5 118.725 118.725 118.086 0.639 18206
1417 1 16 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.301 0.468 18206
1418 1 16 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.210 -7.115 18206
1419 1 16 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.199 13.162 18206
1420 1 16 . 1 1 5 5 CYS H H 5 8.433 8.433 8.548 -0.115 18206
1421 1 16 . 1 1 6 6 CYS N N 6 115.197 115.197 119.712 -4.515 18206
1422 1 16 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.283 0.281 18206
1423 1 16 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.834 -5.580 18206
1424 1 16 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.669 17.345 18206
1425 1 16 . 1 1 6 6 CYS H H 6 8.334 8.334 8.684 -0.350 18206
1426 1 16 . 1 1 7 7 LYS N N 7 120.670 120.670 120.100 0.570 18206
1427 1 16 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.162 0.163 18206
1428 1 16 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.747 -1.840 18206
1429 1 16 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.590 0.319 18206
1430 1 16 . 1 1 7 7 LYS H H 7 7.978 7.978 8.531 -0.553 18206
1431 1 16 . 1 1 8 8 ASN N N 8 117.984 117.984 115.876 2.108 18206
1432 1 16 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.837 -0.034 18206
1433 1 16 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.280 -1.068 18206
1434 1 16 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.015 -1.187 18206
1435 1 16 . 1 1 8 8 ASN H H 8 8.646 8.646 8.164 0.482 18206
1436 1 16 . 1 1 9 9 GLY N N 9 108.754 108.754 109.702 -0.948 18206
1437 1 16 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.794 -1.046 18206
1438 1 16 . 1 1 9 9 GLY H H 9 8.335 8.335 7.462 0.873 18206
1439 1 16 . 1 1 10 10 LYS N N 10 121.997 121.997 124.733 -2.736 18206
1440 1 16 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.208 0.073 18206
1441 1 16 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.918 -0.231 18206
1442 1 16 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.408 -2.475 18206
1443 1 16 . 1 1 10 10 LYS H H 10 8.623 8.623 8.348 0.275 18206
1444 1 16 . 1 1 11 11 ARG N N 11 119.929 119.929 116.832 3.097 18206
1445 1 16 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.371 -0.108 18206
1446 1 16 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.001 0.381 18206
1447 1 16 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.376 -0.339 18206
1448 1 16 . 1 1 11 11 ARG H H 11 8.339 8.339 7.832 0.507 18206
1449 1 16 . 1 1 12 12 GLY N N 12 107.982 107.982 108.260 -0.278 18206
1450 1 16 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.751 -0.449 18206
1451 1 16 . 1 1 12 12 GLY H H 12 8.099 8.099 7.456 0.643 18206
1452 1 16 . 1 1 13 13 CYS N N 13 118.834 118.834 121.399 -2.565 18206
1453 1 16 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.220 0.503 18206
1454 1 16 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.746 -4.463 18206
1455 1 16 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.922 18.205 18206
1456 1 16 . 1 1 13 13 CYS H H 13 8.172 8.172 8.080 0.092 18206
1457 1 16 . 1 1 14 14 GLY N N 14 111.154 111.154 113.779 -2.625 18206
1458 1 16 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.959 -0.550 18206
1459 1 16 . 1 1 14 14 GLY H H 14 8.499 8.499 7.539 0.960 18206
1460 1 16 . 1 1 15 15 ARG N N 15 119.836 119.836 120.688 -0.852 18206
1461 1 16 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.009 -0.196 18206
1462 1 16 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.966 0.153 18206
1463 1 16 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.585 -0.227 18206
1464 1 16 . 1 1 15 15 ARG H H 15 8.601 8.601 8.724 -0.123 18206
1465 1 16 . 1 1 16 16 TRP N N 16 118.904 118.904 121.560 -2.656 18206
1466 1 16 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.370 0.040 18206
1467 1 16 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.739 1.204 18206
1468 1 16 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.970 -0.240 18206
1469 1 16 . 1 1 16 16 TRP H H 16 8.787 8.787 8.151 0.636 18206
1470 1 16 . 1 1 17 17 CYS N N 17 118.726 118.726 119.369 -0.643 18206
1471 1 16 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.218 0.215 18206
1472 1 16 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.601 -1.509 18206
1473 1 16 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.927 12.624 18206
1474 1 16 . 1 1 17 17 CYS H H 17 9.016 9.016 8.787 0.229 18206
1475 1 16 . 1 1 18 18 ARG N N 18 121.997 121.997 119.949 2.048 18206
1476 1 16 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.972 -0.025 18206
1477 1 16 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.592 0.400 18206
1478 1 16 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.083 -0.127 18206
1479 1 16 . 1 1 18 18 ARG H H 18 8.824 8.824 8.643 0.181 18206
1480 1 16 . 1 1 19 19 ASP N N 19 116.281 116.281 114.651 1.630 18206
1481 1 16 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.554 -0.113 18206
1482 1 16 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.946 -0.639 18206
1483 1 16 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.009 -1.012 18206
1484 1 16 . 1 1 19 19 ASP H H 19 7.677 7.677 7.879 -0.202 18206
1485 1 16 . 1 1 20 20 HIS N N 20 113.786 113.786 116.428 -2.642 18206
1486 1 16 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.457 0.034 18206
1487 1 16 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.303 -0.462 18206
1488 1 16 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.000 -1.738 18206
1489 1 16 . 1 1 20 20 HIS H H 20 7.523 7.523 8.465 -0.942 18206
1490 1 16 . 1 1 21 21 SER N N 21 115.298 115.298 114.727 0.571 18206
1491 1 16 . 1 1 21 21 SER HA H 21 4.868 4.868 4.455 0.413 18206
1492 1 16 . 1 1 21 21 SER CA C 21 57.831 57.831 58.318 -0.487 18206
1493 1 16 . 1 1 21 21 SER CB C 21 66.406 66.406 64.609 1.797 18206
1494 1 16 . 1 1 21 21 SER H H 21 8.084 8.084 7.643 0.441 18206
1495 1 16 . 1 1 22 22 ARG N N 22 125.670 125.670 120.452 5.218 18206
1496 1 16 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.390 0.022 18206
1497 1 16 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.404 0.633 18206
1498 1 16 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.303 -0.525 18206
1499 1 16 . 1 1 22 22 ARG H H 22 9.189 9.189 8.475 0.714 18206
1500 1 16 . 1 1 23 23 CYS N N 23 116.441 116.441 119.992 -3.551 18206
1501 1 16 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.456 0.041 18206
1502 1 16 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.609 -2.780 18206
1503 1 16 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.336 17.191 18206
1504 1 16 . 1 1 23 23 CYS H H 23 8.338 8.338 7.808 0.530 18206
1505 1 17 . 1 1 4 4 ARG N N 4 120.207 120.207 122.033 -1.826 18206
1506 1 17 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.095 0.211 18206
1507 1 17 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.601 -1.402 18206
1508 1 17 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.575 0.663 18206
1509 1 17 . 1 1 4 4 ARG H H 4 8.773 8.773 8.957 -0.184 18206
1510 1 17 . 1 1 5 5 CYS N N 5 118.725 118.725 118.440 0.285 18206
1511 1 17 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.388 0.381 18206
1512 1 17 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.570 -6.475 18206
1513 1 17 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.108 13.253 18206
1514 1 17 . 1 1 5 5 CYS H H 5 8.433 8.433 8.926 -0.493 18206
1515 1 17 . 1 1 6 6 CYS N N 6 115.197 115.197 119.794 -4.597 18206
1516 1 17 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.249 0.315 18206
1517 1 17 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.920 -5.666 18206
1518 1 17 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.169 16.845 18206
1519 1 17 . 1 1 6 6 CYS H H 6 8.334 8.334 8.630 -0.296 18206
1520 1 17 . 1 1 7 7 LYS N N 7 120.670 120.670 120.977 -0.307 18206
1521 1 17 . 1 1 7 7 LYS HA H 7 4.325 4.325 3.999 0.326 18206
1522 1 17 . 1 1 7 7 LYS CA C 7 56.907 56.907 59.219 -2.312 18206
1523 1 17 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.139 0.770 18206
1524 1 17 . 1 1 7 7 LYS H H 7 7.978 7.978 8.769 -0.791 18206
1525 1 17 . 1 1 8 8 ASN N N 8 117.984 117.984 115.338 2.646 18206
1526 1 17 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.763 0.040 18206
1527 1 17 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.285 -1.073 18206
1528 1 17 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.114 -1.286 18206
1529 1 17 . 1 1 8 8 ASN H H 8 8.646 8.646 8.038 0.608 18206
1530 1 17 . 1 1 9 9 GLY N N 9 108.754 108.754 108.947 -0.193 18206
1531 1 17 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.989 -1.242 18206
1532 1 17 . 1 1 9 9 GLY H H 9 8.335 8.335 7.809 0.526 18206
1533 1 17 . 1 1 10 10 LYS N N 10 121.997 121.997 125.521 -3.524 18206
1534 1 17 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.109 0.172 18206
1535 1 17 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.947 -0.260 18206
1536 1 17 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.999 -2.066 18206
1537 1 17 . 1 1 10 10 LYS H H 10 8.623 8.623 8.455 0.168 18206
1538 1 17 . 1 1 11 11 ARG N N 11 119.929 119.929 117.690 2.239 18206
1539 1 17 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.280 -0.017 18206
1540 1 17 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.599 -0.217 18206
1541 1 17 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.284 -0.247 18206
1542 1 17 . 1 1 11 11 ARG H H 11 8.339 8.339 7.885 0.454 18206
1543 1 17 . 1 1 12 12 GLY N N 12 107.982 107.982 106.564 1.418 18206
1544 1 17 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.262 0.040 18206
1545 1 17 . 1 1 12 12 GLY H H 12 8.099 8.099 7.515 0.584 18206
1546 1 17 . 1 1 13 13 CYS N N 13 118.834 118.834 121.353 -2.519 18206
1547 1 17 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.231 0.492 18206
1548 1 17 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.490 -4.207 18206
1549 1 17 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.847 18.280 18206
1550 1 17 . 1 1 13 13 CYS H H 13 8.172 8.172 7.691 0.481 18206
1551 1 17 . 1 1 14 14 GLY N N 14 111.154 111.154 112.795 -1.641 18206
1552 1 17 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.136 -0.727 18206
1553 1 17 . 1 1 14 14 GLY H H 14 8.499 8.499 7.572 0.927 18206
1554 1 17 . 1 1 15 15 ARG N N 15 119.836 119.836 120.649 -0.813 18206
1555 1 17 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.029 -0.216 18206
1556 1 17 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.069 1.050 18206
1557 1 17 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.436 -0.078 18206
1558 1 17 . 1 1 15 15 ARG H H 15 8.601 8.601 8.796 -0.195 18206
1559 1 17 . 1 1 16 16 TRP N N 16 118.904 118.904 121.881 -2.977 18206
1560 1 17 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.434 -0.024 18206
1561 1 17 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.745 1.198 18206
1562 1 17 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.204 -0.474 18206
1563 1 17 . 1 1 16 16 TRP H H 16 8.787 8.787 8.051 0.736 18206
1564 1 17 . 1 1 17 17 CYS N N 17 118.726 118.726 120.087 -1.361 18206
1565 1 17 . 1 1 17 17 CYS HA H 17 4.433 4.433 3.762 0.671 18206
1566 1 17 . 1 1 17 17 CYS CA C 17 59.092 59.092 62.284 -3.192 18206
1567 1 17 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.978 12.573 18206
1568 1 17 . 1 1 17 17 CYS H H 17 9.016 9.016 8.813 0.203 18206
1569 1 17 . 1 1 18 18 ARG N N 18 121.997 121.997 119.607 2.390 18206
1570 1 17 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.942 0.005 18206
1571 1 17 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.956 0.036 18206
1572 1 17 . 1 1 18 18 ARG CB C 18 29.956 29.956 29.982 -0.026 18206
1573 1 17 . 1 1 18 18 ARG H H 18 8.824 8.824 8.601 0.223 18206
1574 1 17 . 1 1 19 19 ASP N N 19 116.281 116.281 115.118 1.163 18206
1575 1 17 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.515 -0.074 18206
1576 1 17 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.932 -0.625 18206
1577 1 17 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.694 -0.697 18206
1578 1 17 . 1 1 19 19 ASP H H 19 7.677 7.677 7.582 0.095 18206
1579 1 17 . 1 1 20 20 HIS N N 20 113.786 113.786 115.779 -1.993 18206
1580 1 17 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.595 -0.104 18206
1581 1 17 . 1 1 20 20 HIS CA C 20 56.841 56.841 56.678 0.163 18206
1582 1 17 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.267 -2.005 18206
1583 1 17 . 1 1 20 20 HIS H H 20 7.523 7.523 8.323 -0.800 18206
1584 1 17 . 1 1 21 21 SER N N 21 115.298 115.298 113.810 1.488 18206
1585 1 17 . 1 1 21 21 SER HA H 21 4.868 4.868 4.577 0.291 18206
1586 1 17 . 1 1 21 21 SER CA C 21 57.831 57.831 56.556 1.275 18206
1587 1 17 . 1 1 21 21 SER CB C 21 66.406 66.406 65.096 1.310 18206
1588 1 17 . 1 1 21 21 SER H H 21 8.084 8.084 8.294 -0.210 18206
1589 1 17 . 1 1 22 22 ARG N N 22 125.670 125.670 122.178 3.492 18206
1590 1 17 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.303 0.109 18206
1591 1 17 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.382 0.656 18206
1592 1 17 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.192 -0.414 18206
1593 1 17 . 1 1 22 22 ARG H H 22 9.189 9.189 8.561 0.628 18206
1594 1 17 . 1 1 23 23 CYS N N 23 116.441 116.441 119.264 -2.823 18206
1595 1 17 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.404 0.093 18206
1596 1 17 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.126 -2.297 18206
1597 1 17 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.539 16.988 18206
1598 1 17 . 1 1 23 23 CYS H H 23 8.338 8.338 8.022 0.316 18206
1599 1 18 . 1 1 4 4 ARG N N 4 120.207 120.207 121.700 -1.493 18206
1600 1 18 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.072 0.234 18206
1601 1 18 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.108 -0.908 18206
1602 1 18 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.565 0.673 18206
1603 1 18 . 1 1 4 4 ARG H H 4 8.773 8.773 8.866 -0.093 18206
1604 1 18 . 1 1 5 5 CYS N N 5 118.725 118.725 118.378 0.347 18206
1605 1 18 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.217 0.552 18206
1606 1 18 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.113 -7.018 18206
1607 1 18 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.894 13.467 18206
1608 1 18 . 1 1 5 5 CYS H H 5 8.433 8.433 8.246 0.187 18206
1609 1 18 . 1 1 6 6 CYS N N 6 115.197 115.197 120.560 -5.363 18206
1610 1 18 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.205 0.359 18206
1611 1 18 . 1 1 6 6 CYS CA C 6 56.254 56.254 62.149 -5.895 18206
1612 1 18 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.816 17.198 18206
1613 1 18 . 1 1 6 6 CYS H H 6 8.334 8.334 8.730 -0.396 18206
1614 1 18 . 1 1 7 7 LYS N N 7 120.670 120.670 120.223 0.447 18206
1615 1 18 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.023 0.302 18206
1616 1 18 . 1 1 7 7 LYS CA C 7 56.907 56.907 59.130 -2.223 18206
1617 1 18 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.480 0.429 18206
1618 1 18 . 1 1 7 7 LYS H H 7 7.978 7.978 8.637 -0.659 18206
1619 1 18 . 1 1 8 8 ASN N N 8 117.984 117.984 115.535 2.449 18206
1620 1 18 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.924 -0.121 18206
1621 1 18 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.208 0.004 18206
1622 1 18 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.307 -1.479 18206
1623 1 18 . 1 1 8 8 ASN H H 8 8.646 8.646 8.042 0.604 18206
1624 1 18 . 1 1 9 9 GLY N N 9 108.754 108.754 110.413 -1.659 18206
1625 1 18 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.032 -1.285 18206
1626 1 18 . 1 1 9 9 GLY H H 9 8.335 8.335 8.046 0.289 18206
1627 1 18 . 1 1 10 10 LYS N N 10 121.997 121.997 123.541 -1.544 18206
1628 1 18 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.140 0.141 18206
1629 1 18 . 1 1 10 10 LYS CA C 10 57.687 57.687 57.414 0.273 18206
1630 1 18 . 1 1 10 10 LYS CB C 10 29.933 29.933 31.971 -2.038 18206
1631 1 18 . 1 1 10 10 LYS H H 10 8.623 8.623 8.391 0.232 18206
1632 1 18 . 1 1 11 11 ARG N N 11 119.929 119.929 116.451 3.478 18206
1633 1 18 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.287 -0.024 18206
1634 1 18 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.611 -0.229 18206
1635 1 18 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.307 -0.270 18206
1636 1 18 . 1 1 11 11 ARG H H 11 8.339 8.339 8.305 0.034 18206
1637 1 18 . 1 1 12 12 GLY N N 12 107.982 107.982 106.581 1.401 18206
1638 1 18 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.164 0.138 18206
1639 1 18 . 1 1 12 12 GLY H H 12 8.099 8.099 7.326 0.773 18206
1640 1 18 . 1 1 13 13 CYS N N 13 118.834 118.834 119.710 -0.876 18206
1641 1 18 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.226 0.497 18206
1642 1 18 . 1 1 13 13 CYS CA C 13 56.283 56.283 61.047 -4.764 18206
1643 1 18 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.605 17.522 18206
1644 1 18 . 1 1 13 13 CYS H H 13 8.172 8.172 7.518 0.654 18206
1645 1 18 . 1 1 14 14 GLY N N 14 111.154 111.154 112.478 -1.324 18206
1646 1 18 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.834 -0.425 18206
1647 1 18 . 1 1 14 14 GLY H H 14 8.499 8.499 7.739 0.760 18206
1648 1 18 . 1 1 15 15 ARG N N 15 119.836 119.836 120.829 -0.993 18206
1649 1 18 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.091 -0.278 18206
1650 1 18 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.313 0.806 18206
1651 1 18 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.410 -0.052 18206
1652 1 18 . 1 1 15 15 ARG H H 15 8.601 8.601 8.807 -0.206 18206
1653 1 18 . 1 1 16 16 TRP N N 16 118.904 118.904 121.175 -2.271 18206
1654 1 18 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.569 -0.159 18206
1655 1 18 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.398 1.545 18206
1656 1 18 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.183 -0.454 18206
1657 1 18 . 1 1 16 16 TRP H H 16 8.787 8.787 8.219 0.568 18206
1658 1 18 . 1 1 17 17 CYS N N 17 118.726 118.726 119.976 -1.250 18206
1659 1 18 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.194 0.239 18206
1660 1 18 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.704 -1.612 18206
1661 1 18 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.859 12.692 18206
1662 1 18 . 1 1 17 17 CYS H H 17 9.016 9.016 8.810 0.206 18206
1663 1 18 . 1 1 18 18 ARG N N 18 121.997 121.997 119.743 2.254 18206
1664 1 18 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.988 -0.041 18206
1665 1 18 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.488 0.504 18206
1666 1 18 . 1 1 18 18 ARG CB C 18 29.956 29.956 29.957 -0.001 18206
1667 1 18 . 1 1 18 18 ARG H H 18 8.824 8.824 8.643 0.181 18206
1668 1 18 . 1 1 19 19 ASP N N 19 116.281 116.281 115.544 0.737 18206
1669 1 18 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.536 -0.095 18206
1670 1 18 . 1 1 19 19 ASP CA C 19 55.307 55.307 55.800 -0.493 18206
1671 1 18 . 1 1 19 19 ASP CB C 19 40.997 40.997 42.102 -1.105 18206
1672 1 18 . 1 1 19 19 ASP H H 19 7.677 7.677 7.999 -0.322 18206
1673 1 18 . 1 1 20 20 HIS N N 20 113.786 113.786 116.376 -2.590 18206
1674 1 18 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.362 0.129 18206
1675 1 18 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.143 -0.302 18206
1676 1 18 . 1 1 20 20 HIS CB C 20 29.262 29.262 31.051 -1.789 18206
1677 1 18 . 1 1 20 20 HIS H H 20 7.523 7.523 8.492 -0.969 18206
1678 1 18 . 1 1 21 21 SER N N 21 115.298 115.298 113.986 1.312 18206
1679 1 18 . 1 1 21 21 SER HA H 21 4.868 4.868 4.481 0.387 18206
1680 1 18 . 1 1 21 21 SER CA C 21 57.831 57.831 58.405 -0.574 18206
1681 1 18 . 1 1 21 21 SER CB C 21 66.406 66.406 64.590 1.816 18206
1682 1 18 . 1 1 21 21 SER H H 21 8.084 8.084 7.584 0.500 18206
1683 1 18 . 1 1 22 22 ARG N N 22 125.670 125.670 119.418 6.252 18206
1684 1 18 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.494 -0.082 18206
1685 1 18 . 1 1 22 22 ARG CA C 22 57.038 57.038 55.952 1.086 18206
1686 1 18 . 1 1 22 22 ARG CB C 22 29.778 29.778 29.927 -0.149 18206
1687 1 18 . 1 1 22 22 ARG H H 22 9.189 9.189 8.425 0.764 18206
1688 1 18 . 1 1 23 23 CYS N N 23 116.441 116.441 119.705 -3.264 18206
1689 1 18 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.488 0.009 18206
1690 1 18 . 1 1 23 23 CYS CA C 23 56.829 56.829 59.407 -2.578 18206
1691 1 18 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.470 17.057 18206
1692 1 18 . 1 1 23 23 CYS H H 23 8.338 8.338 7.861 0.477 18206
1693 1 19 . 1 1 4 4 ARG N N 4 120.207 120.207 121.780 -1.573 18206
1694 1 19 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.026 0.280 18206
1695 1 19 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.801 -1.602 18206
1696 1 19 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.812 0.426 18206
1697 1 19 . 1 1 4 4 ARG H H 4 8.773 8.773 8.748 0.025 18206
1698 1 19 . 1 1 5 5 CYS N N 5 118.725 118.725 120.011 -1.286 18206
1699 1 19 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.313 0.456 18206
1700 1 19 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.532 -7.437 18206
1701 1 19 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.681 13.680 18206
1702 1 19 . 1 1 5 5 CYS H H 5 8.433 8.433 8.081 0.352 18206
1703 1 19 . 1 1 6 6 CYS N N 6 115.197 115.197 118.132 -2.935 18206
1704 1 19 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.198 0.366 18206
1705 1 19 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.156 -4.902 18206
1706 1 19 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.732 17.282 18206
1707 1 19 . 1 1 6 6 CYS H H 6 8.334 8.334 8.717 -0.383 18206
1708 1 19 . 1 1 7 7 LYS N N 7 120.670 120.670 119.372 1.298 18206
1709 1 19 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.279 0.046 18206
1710 1 19 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.612 -1.705 18206
1711 1 19 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.869 0.040 18206
1712 1 19 . 1 1 7 7 LYS H H 7 7.978 7.978 8.491 -0.513 18206
1713 1 19 . 1 1 8 8 ASN N N 8 117.984 117.984 115.703 2.281 18206
1714 1 19 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.799 0.004 18206
1715 1 19 . 1 1 8 8 ASN CA C 8 53.212 53.212 53.932 -0.720 18206
1716 1 19 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.571 -1.743 18206
1717 1 19 . 1 1 8 8 ASN H H 8 8.646 8.646 8.287 0.359 18206
1718 1 19 . 1 1 9 9 GLY N N 9 108.754 108.754 110.401 -1.647 18206
1719 1 19 . 1 1 9 9 GLY CA C 9 45.747 45.747 47.025 -1.278 18206
1720 1 19 . 1 1 9 9 GLY H H 9 8.335 8.335 8.670 -0.335 18206
1721 1 19 . 1 1 10 10 LYS N N 10 121.997 121.997 124.438 -2.441 18206
1722 1 19 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.103 0.178 18206
1723 1 19 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.075 -0.388 18206
1724 1 19 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.112 -2.179 18206
1725 1 19 . 1 1 10 10 LYS H H 10 8.623 8.623 8.295 0.328 18206
1726 1 19 . 1 1 11 11 ARG N N 11 119.929 119.929 115.500 4.429 18206
1727 1 19 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.357 -0.094 18206
1728 1 19 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.035 0.346 18206
1729 1 19 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.619 -0.582 18206
1730 1 19 . 1 1 11 11 ARG H H 11 8.339 8.339 8.104 0.235 18206
1731 1 19 . 1 1 12 12 GLY N N 12 107.982 107.982 106.119 1.863 18206
1732 1 19 . 1 1 12 12 GLY CA C 12 45.302 45.302 44.843 0.459 18206
1733 1 19 . 1 1 12 12 GLY H H 12 8.099 8.099 7.389 0.710 18206
1734 1 19 . 1 1 13 13 CYS N N 13 118.834 118.834 122.413 -3.579 18206
1735 1 19 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.451 0.272 18206
1736 1 19 . 1 1 13 13 CYS CA C 13 56.283 56.283 59.913 -3.630 18206
1737 1 19 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.471 17.656 18206
1738 1 19 . 1 1 13 13 CYS H H 13 8.172 8.172 7.978 0.194 18206
1739 1 19 . 1 1 14 14 GLY N N 14 111.154 111.154 115.000 -3.846 18206
1740 1 19 . 1 1 14 14 GLY CA C 14 44.409 44.409 45.056 -0.647 18206
1741 1 19 . 1 1 14 14 GLY H H 14 8.499 8.499 8.044 0.455 18206
1742 1 19 . 1 1 15 15 ARG N N 15 119.836 119.836 120.108 -0.272 18206
1743 1 19 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.076 -0.263 18206
1744 1 19 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.336 0.783 18206
1745 1 19 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.322 0.036 18206
1746 1 19 . 1 1 15 15 ARG H H 15 8.601 8.601 8.739 -0.138 18206
1747 1 19 . 1 1 16 16 TRP N N 16 118.904 118.904 122.255 -3.351 18206
1748 1 19 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.421 -0.011 18206
1749 1 19 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.627 1.316 18206
1750 1 19 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.171 -0.441 18206
1751 1 19 . 1 1 16 16 TRP H H 16 8.787 8.787 8.182 0.605 18206
1752 1 19 . 1 1 17 17 CYS N N 17 118.726 118.726 118.742 -0.016 18206
1753 1 19 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.288 0.145 18206
1754 1 19 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.553 -1.462 18206
1755 1 19 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.182 12.369 18206
1756 1 19 . 1 1 17 17 CYS H H 17 9.016 9.016 8.621 0.395 18206
1757 1 19 . 1 1 18 18 ARG N N 18 121.997 121.997 119.956 2.041 18206
1758 1 19 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.014 -0.067 18206
1759 1 19 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.127 0.865 18206
1760 1 19 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.402 -0.446 18206
1761 1 19 . 1 1 18 18 ARG H H 18 8.824 8.824 8.526 0.298 18206
1762 1 19 . 1 1 19 19 ASP N N 19 116.281 116.281 116.480 -0.199 18206
1763 1 19 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.542 -0.101 18206
1764 1 19 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.291 -0.984 18206
1765 1 19 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.610 -0.613 18206
1766 1 19 . 1 1 19 19 ASP H H 19 7.677 7.677 7.982 -0.305 18206
1767 1 19 . 1 1 20 20 HIS N N 20 113.786 113.786 117.802 -4.016 18206
1768 1 19 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.299 0.192 18206
1769 1 19 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.651 -0.810 18206
1770 1 19 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.280 -1.018 18206
1771 1 19 . 1 1 20 20 HIS H H 20 7.523 7.523 8.437 -0.914 18206
1772 1 19 . 1 1 21 21 SER N N 21 115.298 115.298 114.914 0.384 18206
1773 1 19 . 1 1 21 21 SER HA H 21 4.868 4.868 4.403 0.465 18206
1774 1 19 . 1 1 21 21 SER CA C 21 57.831 57.831 59.318 -1.487 18206
1775 1 19 . 1 1 21 21 SER CB C 21 66.406 66.406 64.356 2.050 18206
1776 1 19 . 1 1 21 21 SER H H 21 8.084 8.084 7.300 0.784 18206
1777 1 19 . 1 1 22 22 ARG N N 22 125.670 125.670 120.262 5.408 18206
1778 1 19 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.382 0.030 18206
1779 1 19 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.731 0.307 18206
1780 1 19 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.557 -0.779 18206
1781 1 19 . 1 1 22 22 ARG H H 22 9.189 9.189 8.563 0.626 18206
1782 1 19 . 1 1 23 23 CYS N N 23 116.441 116.441 118.388 -1.947 18206
1783 1 19 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.736 -0.239 18206
1784 1 19 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.291 -0.462 18206
1785 1 19 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.444 17.083 18206
1786 1 19 . 1 1 23 23 CYS H H 23 8.338 8.338 8.050 0.288 18206
1787 1 20 . 1 1 4 4 ARG N N 4 120.207 120.207 121.521 -1.314 18206
1788 1 20 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.447 -0.141 18206
1789 1 20 . 1 1 4 4 ARG CA C 4 57.199 57.199 57.680 -0.481 18206
1790 1 20 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.842 0.396 18206
1791 1 20 . 1 1 4 4 ARG H H 4 8.773 8.773 8.716 0.057 18206
1792 1 20 . 1 1 5 5 CYS N N 5 118.725 118.725 120.528 -1.803 18206
1793 1 20 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.229 0.540 18206
1794 1 20 . 1 1 5 5 CYS CA C 5 56.095 56.095 63.279 -7.184 18206
1795 1 20 . 1 1 5 5 CYS CB C 5 39.361 39.361 25.901 13.460 18206
1796 1 20 . 1 1 5 5 CYS H H 5 8.433 8.433 8.402 0.031 18206
1797 1 20 . 1 1 6 6 CYS N N 6 115.197 115.197 120.470 -5.273 18206
1798 1 20 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.084 0.480 18206
1799 1 20 . 1 1 6 6 CYS CA C 6 56.254 56.254 63.102 -6.848 18206
1800 1 20 . 1 1 6 6 CYS CB C 6 43.014 43.014 26.014 17.000 18206
1801 1 20 . 1 1 6 6 CYS H H 6 8.334 8.334 8.840 -0.506 18206
1802 1 20 . 1 1 7 7 LYS N N 7 120.670 120.670 119.133 1.537 18206
1803 1 20 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.010 0.315 18206
1804 1 20 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.933 -2.026 18206
1805 1 20 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.101 0.808 18206
1806 1 20 . 1 1 7 7 LYS H H 7 7.978 7.978 8.182 -0.204 18206
1807 1 20 . 1 1 8 8 ASN N N 8 117.984 117.984 116.226 1.758 18206
1808 1 20 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.668 0.135 18206
1809 1 20 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.382 -1.170 18206
1810 1 20 . 1 1 8 8 ASN CB C 8 38.828 38.828 39.676 -0.848 18206
1811 1 20 . 1 1 8 8 ASN H H 8 8.646 8.646 8.107 0.539 18206
1812 1 20 . 1 1 9 9 GLY N N 9 108.754 108.754 109.081 -0.327 18206
1813 1 20 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.839 -1.092 18206
1814 1 20 . 1 1 9 9 GLY H H 9 8.335 8.335 7.868 0.467 18206
1815 1 20 . 1 1 10 10 LYS N N 10 121.997 121.997 124.968 -2.971 18206
1816 1 20 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.055 0.226 18206
1817 1 20 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.810 -1.123 18206
1818 1 20 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.373 -2.440 18206
1819 1 20 . 1 1 10 10 LYS H H 10 8.623 8.623 8.549 0.074 18206
1820 1 20 . 1 1 11 11 ARG N N 11 119.929 119.929 117.204 2.725 18206
1821 1 20 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.174 0.089 18206
1822 1 20 . 1 1 11 11 ARG CA C 11 57.382 57.382 58.010 -0.628 18206
1823 1 20 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.225 -0.188 18206
1824 1 20 . 1 1 11 11 ARG H H 11 8.339 8.339 8.069 0.270 18206
1825 1 20 . 1 1 12 12 GLY N N 12 107.982 107.982 106.882 1.100 18206
1826 1 20 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.612 -0.311 18206
1827 1 20 . 1 1 12 12 GLY H H 12 8.099 8.099 7.708 0.391 18206
1828 1 20 . 1 1 13 13 CYS N N 13 118.834 118.834 121.030 -2.196 18206
1829 1 20 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.275 0.448 18206
1830 1 20 . 1 1 13 13 CYS CA C 13 56.283 56.283 59.605 -3.322 18206
1831 1 20 . 1 1 13 13 CYS CB C 13 43.127 43.127 24.429 18.698 18206
1832 1 20 . 1 1 13 13 CYS H H 13 8.172 8.172 8.080 0.092 18206
1833 1 20 . 1 1 14 14 GLY N N 14 111.154 111.154 112.999 -1.845 18206
1834 1 20 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.820 -0.411 18206
1835 1 20 . 1 1 14 14 GLY H H 14 8.499 8.499 7.962 0.537 18206
1836 1 20 . 1 1 15 15 ARG N N 15 119.836 119.836 120.816 -0.980 18206
1837 1 20 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.015 -0.202 18206
1838 1 20 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.623 0.496 18206
1839 1 20 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.477 -0.119 18206
1840 1 20 . 1 1 15 15 ARG H H 15 8.601 8.601 8.830 -0.229 18206
1841 1 20 . 1 1 16 16 TRP N N 16 118.904 118.904 121.754 -2.850 18206
1842 1 20 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.414 -0.004 18206
1843 1 20 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.999 0.944 18206
1844 1 20 . 1 1 16 16 TRP CB C 16 28.730 28.730 28.796 -0.066 18206
1845 1 20 . 1 1 16 16 TRP H H 16 8.787 8.787 8.202 0.585 18206
1846 1 20 . 1 1 17 17 CYS N N 17 118.726 118.726 119.476 -0.750 18206
1847 1 20 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.206 0.227 18206
1848 1 20 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.726 -1.634 18206
1849 1 20 . 1 1 17 17 CYS CB C 17 38.551 38.551 25.927 12.624 18206
1850 1 20 . 1 1 17 17 CYS H H 17 9.016 9.016 8.691 0.325 18206
1851 1 20 . 1 1 18 18 ARG N N 18 121.997 121.997 119.751 2.246 18206
1852 1 20 . 1 1 18 18 ARG HA H 18 3.947 3.947 3.942 0.005 18206
1853 1 20 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.632 0.360 18206
1854 1 20 . 1 1 18 18 ARG CB C 18 29.956 29.956 29.968 -0.012 18206
1855 1 20 . 1 1 18 18 ARG H H 18 8.824 8.824 8.684 0.140 18206
1856 1 20 . 1 1 19 19 ASP N N 19 116.281 116.281 116.472 -0.191 18206
1857 1 20 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.591 -0.150 18206
1858 1 20 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.236 -0.929 18206
1859 1 20 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.991 -0.994 18206
1860 1 20 . 1 1 19 19 ASP H H 19 7.677 7.677 7.853 -0.176 18206
1861 1 20 . 1 1 20 20 HIS N N 20 113.786 113.786 116.404 -2.618 18206
1862 1 20 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.405 0.086 18206
1863 1 20 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.742 -0.902 18206
1864 1 20 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.779 -1.516 18206
1865 1 20 . 1 1 20 20 HIS H H 20 7.523 7.523 8.329 -0.805 18206
1866 1 20 . 1 1 21 21 SER N N 21 115.298 115.298 114.414 0.884 18206
1867 1 20 . 1 1 21 21 SER HA H 21 4.868 4.868 4.548 0.320 18206
1868 1 20 . 1 1 21 21 SER CA C 21 57.831 57.831 57.972 -0.141 18206
1869 1 20 . 1 1 21 21 SER CB C 21 66.406 66.406 64.595 1.811 18206
1870 1 20 . 1 1 21 21 SER H H 21 8.084 8.084 7.899 0.185 18206
1871 1 20 . 1 1 22 22 ARG N N 22 125.670 125.670 120.932 4.738 18206
1872 1 20 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.441 -0.029 18206
1873 1 20 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.522 0.516 18206
1874 1 20 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.668 -0.890 18206
1875 1 20 . 1 1 22 22 ARG H H 22 9.189 9.189 8.467 0.722 18206
1876 1 20 . 1 1 23 23 CYS N N 23 116.441 116.441 118.426 -1.985 18206
1877 1 20 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.636 -0.139 18206
1878 1 20 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.149 -0.320 18206
1879 1 20 . 1 1 23 23 CYS CB C 23 44.527 44.527 26.827 17.700 18206
1880 1 20 . 1 1 23 23 CYS H H 23 8.338 8.338 8.155 0.183 18206
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 20 2.376 0.301 2.418 18206
2 1 1 "Average Difference" HA 23 0.303 -0.101 0.293 18206
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18206
4 1 1 "Average Difference" CA 20 2.338 1.096 2.119 18206
5 1 1 "Average Difference" CB 17 8.580 -4.296 7.656 18206
6 1 1 "Average Difference" HN 20 0.424 -0.150 0.407 18206
7 1 2 "Average Difference" N 20 2.333 -0.071 2.393 18206
8 1 2 "Average Difference" HA 23 0.296 -0.051 0.298 18206
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18206
10 1 2 "Average Difference" CA 20 2.096 0.885 1.949 18206
11 1 2 "Average Difference" CB 17 8.411 -4.259 7.477 18206
12 1 2 "Average Difference" HN 20 0.541 -0.204 0.514 18206
13 1 3 "Average Difference" N 20 1.995 0.143 2.041 18206
14 1 3 "Average Difference" HA 23 0.293 -0.109 0.278 18206
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18206
16 1 3 "Average Difference" CA 20 2.317 1.138 2.070 18206
17 1 3 "Average Difference" CB 17 8.459 -4.054 7.653 18206
18 1 3 "Average Difference" HN 20 0.479 -0.153 0.465 18206
19 1 4 "Average Difference" N 20 2.190 0.554 2.174 18206
20 1 4 "Average Difference" HA 23 0.322 -0.135 0.300 18206
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18206
22 1 4 "Average Difference" CA 20 2.389 1.267 2.078 18206
23 1 4 "Average Difference" CB 17 8.709 -4.456 7.713 18206
24 1 4 "Average Difference" HN 20 0.436 -0.214 0.390 18206
25 1 5 "Average Difference" N 20 2.353 0.256 2.400 18206
26 1 5 "Average Difference" HA 23 0.303 -0.080 0.299 18206
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18206
28 1 5 "Average Difference" CA 20 2.320 1.183 2.047 18206
29 1 5 "Average Difference" CB 17 8.730 -4.272 7.847 18206
30 1 5 "Average Difference" HN 20 0.417 -0.104 0.414 18206
31 1 6 "Average Difference" N 20 2.414 0.505 2.422 18206
32 1 6 "Average Difference" HA 23 0.285 -0.124 0.263 18206
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18206
34 1 6 "Average Difference" CA 20 2.443 1.250 2.154 18206
35 1 6 "Average Difference" CB 17 8.636 -4.270 7.737 18206
36 1 6 "Average Difference" HN 20 0.503 -0.250 0.448 18206
37 1 7 "Average Difference" N 20 2.193 0.119 2.247 18206
38 1 7 "Average Difference" HA 23 0.300 -0.098 0.290 18206
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18206
40 1 7 "Average Difference" CA 20 2.313 1.089 2.094 18206
41 1 7 "Average Difference" CB 17 8.289 -4.131 7.408 18206
42 1 7 "Average Difference" HN 20 0.528 -0.276 0.461 18206
43 1 8 "Average Difference" N 20 2.489 0.454 2.511 18206
44 1 8 "Average Difference" HA 23 0.326 -0.036 0.331 18206
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18206
46 1 8 "Average Difference" CA 20 2.177 1.070 1.946 18206
47 1 8 "Average Difference" CB 17 8.865 -4.449 7.904 18206
48 1 8 "Average Difference" HN 20 0.407 -0.130 0.395 18206
49 1 9 "Average Difference" N 20 2.474 -0.025 2.538 18206
50 1 9 "Average Difference" HA 23 0.329 -0.047 0.333 18206
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18206
52 1 9 "Average Difference" CA 20 2.034 0.807 1.915 18206
53 1 9 "Average Difference" CB 17 8.398 -4.182 7.507 18206
54 1 9 "Average Difference" HN 20 0.466 -0.176 0.443 18206
55 1 10 "Average Difference" N 20 2.288 0.504 2.290 18206
56 1 10 "Average Difference" HA 23 0.283 -0.099 0.272 18206
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18206
58 1 10 "Average Difference" CA 20 2.353 1.082 2.144 18206
59 1 10 "Average Difference" CB 17 8.580 -4.336 7.632 18206
60 1 10 "Average Difference" HN 20 0.468 -0.198 0.435 18206
61 1 11 "Average Difference" N 20 2.600 0.257 2.655 18206
62 1 11 "Average Difference" HA 23 0.287 -0.128 0.262 18206
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18206
64 1 11 "Average Difference" CA 20 2.416 1.298 2.090 18206
65 1 11 "Average Difference" CB 17 8.487 -4.339 7.518 18206
66 1 11 "Average Difference" HN 20 0.501 -0.197 0.473 18206
67 1 12 "Average Difference" N 20 2.600 0.136 2.664 18206
68 1 12 "Average Difference" HA 23 0.308 -0.060 0.309 18206
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18206
70 1 12 "Average Difference" CA 20 2.257 1.044 2.053 18206
71 1 12 "Average Difference" CB 17 8.603 -4.367 7.641 18206
72 1 12 "Average Difference" HN 20 0.480 -0.227 0.434 18206
73 1 13 "Average Difference" N 20 2.180 0.486 2.180 18206
74 1 13 "Average Difference" HA 23 0.288 -0.111 0.272 18206
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18206
76 1 13 "Average Difference" CA 20 2.287 1.198 1.999 18206
77 1 13 "Average Difference" CB 17 8.670 -4.279 7.772 18206
78 1 13 "Average Difference" HN 20 0.474 -0.215 0.434 18206
79 1 14 "Average Difference" N 20 2.346 0.149 2.402 18206
80 1 14 "Average Difference" HA 23 0.268 -0.074 0.263 18206
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18206
82 1 14 "Average Difference" CA 20 2.266 0.976 2.098 18206
83 1 14 "Average Difference" CB 17 8.520 -4.259 7.606 18206
84 1 14 "Average Difference" HN 20 0.506 -0.216 0.469 18206
85 1 15 "Average Difference" N 20 2.570 0.405 2.604 18206
86 1 15 "Average Difference" HA 23 0.311 -0.111 0.296 18206
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18206
88 1 15 "Average Difference" CA 20 2.509 1.234 2.241 18206
89 1 15 "Average Difference" CB 17 8.784 -4.384 7.847 18206
90 1 15 "Average Difference" HN 20 0.512 -0.243 0.462 18206
91 1 16 "Average Difference" N 20 2.468 0.486 2.482 18206
92 1 16 "Average Difference" HA 23 0.261 -0.119 0.238 18206
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18206
94 1 16 "Average Difference" CA 20 2.489 1.360 2.140 18206
95 1 16 "Average Difference" CB 17 8.664 -4.312 7.746 18206
96 1 16 "Average Difference" HN 20 0.526 -0.214 0.493 18206
97 1 17 "Average Difference" N 20 2.291 0.473 2.300 18206
98 1 17 "Average Difference" HA 23 0.295 -0.133 0.269 18206
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18206
100 1 17 "Average Difference" CA 20 2.478 1.264 2.187 18206
101 1 17 "Average Difference" CB 17 8.588 -4.317 7.653 18206
102 1 17 "Average Difference" HN 20 0.508 -0.149 0.498 18206
103 1 18 "Average Difference" N 20 2.555 0.197 2.613 18206
104 1 18 "Average Difference" HA 23 0.292 -0.117 0.273 18206
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18206
106 1 18 "Average Difference" CA 20 2.538 1.198 2.296 18206
107 1 18 "Average Difference" CB 17 8.579 -4.325 7.637 18206
108 1 18 "Average Difference" HN 20 0.514 -0.179 0.494 18206
109 1 19 "Average Difference" N 20 2.682 0.470 2.709 18206
110 1 19 "Average Difference" HA 23 0.289 -0.078 0.285 18206
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18206
112 1 19 "Average Difference" CA 20 2.350 1.172 2.089 18206
113 1 19 "Average Difference" CB 17 8.600 -4.284 7.687 18206
114 1 19 "Average Difference" HN 20 0.466 -0.153 0.451 18206
115 1 20 "Average Difference" N 20 2.375 0.506 2.380 18206
116 1 20 "Average Difference" HA 23 0.292 -0.110 0.276 18206
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18206
118 1 20 "Average Difference" CA 20 2.494 1.310 2.177 18206
119 1 20 "Average Difference" CB 17 8.769 -4.437 7.797 18206
120 1 20 "Average Difference" HN 20 0.395 -0.134 0.382 18206
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 18206
_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 4 4 ARG N N 4 120.207 120.207 121.735 -1.528 18206
2 1 . 1 1 4 4 ARG HA H 4 4.306 4.306 4.120 0.186 18206
3 1 . 1 1 4 4 ARG CA C 4 57.199 57.199 58.284 -1.085 18206
4 1 . 1 1 4 4 ARG CB C 4 30.238 30.238 29.618 0.620 18206
5 1 . 1 1 4 4 ARG H H 4 8.773 8.773 8.775 -0.002 18206
6 1 . 1 1 5 5 CYS N N 5 118.725 118.725 119.256 -0.531 18206
7 1 . 1 1 5 5 CYS HA H 5 4.769 4.769 4.329 0.440 18206
8 1 . 1 1 5 5 CYS CA C 5 56.095 56.095 62.931 -6.836 18206
9 1 . 1 1 5 5 CYS CB C 5 39.361 39.361 26.007 13.354 18206
10 1 . 1 1 5 5 CYS H H 5 8.433 8.433 8.397 0.036 18206
11 1 . 1 1 6 6 CYS N N 6 115.197 115.197 119.036 -3.839 18206
12 1 . 1 1 6 6 CYS HA H 6 4.564 4.564 4.207 0.357 18206
13 1 . 1 1 6 6 CYS CA C 6 56.254 56.254 61.506 -5.252 18206
14 1 . 1 1 6 6 CYS CB C 6 43.014 43.014 25.968 17.046 18206
15 1 . 1 1 6 6 CYS H H 6 8.334 8.334 8.661 -0.327 18206
16 1 . 1 1 7 7 LYS N N 7 120.670 120.670 119.174 1.496 18206
17 1 . 1 1 7 7 LYS HA H 7 4.325 4.325 4.195 0.130 18206
18 1 . 1 1 7 7 LYS CA C 7 56.907 56.907 58.498 -1.591 18206
19 1 . 1 1 7 7 LYS CB C 7 32.909 32.909 32.540 0.369 18206
20 1 . 1 1 7 7 LYS H H 7 7.978 7.978 8.348 -0.370 18206
21 1 . 1 1 8 8 ASN N N 8 117.984 117.984 116.258 1.726 18206
22 1 . 1 1 8 8 ASN HA H 8 4.803 4.803 4.753 0.050 18206
23 1 . 1 1 8 8 ASN CA C 8 53.212 53.212 54.203 -0.990 18206
24 1 . 1 1 8 8 ASN CB C 8 38.828 38.828 40.224 -1.396 18206
25 1 . 1 1 8 8 ASN H H 8 8.646 8.646 8.123 0.523 18206
26 1 . 1 1 9 9 GLY N N 9 108.754 108.754 109.836 -1.082 18206
27 1 . 1 1 9 9 GLY CA C 9 45.747 45.747 46.921 -1.174 18206
28 1 . 1 1 9 9 GLY H H 9 8.335 8.335 8.229 0.106 18206
29 1 . 1 1 10 10 LYS N N 10 121.997 121.997 124.576 -2.579 18206
30 1 . 1 1 10 10 LYS HA H 10 4.281 4.281 4.104 0.177 18206
31 1 . 1 1 10 10 LYS CA C 10 57.687 57.687 58.153 -0.466 18206
32 1 . 1 1 10 10 LYS CB C 10 29.933 29.933 32.198 -2.265 18206
33 1 . 1 1 10 10 LYS H H 10 8.623 8.623 8.378 0.245 18206
34 1 . 1 1 11 11 ARG N N 11 119.929 119.929 116.204 3.725 18206
35 1 . 1 1 11 11 ARG HA H 11 4.263 4.263 4.324 -0.061 18206
36 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.286 0.096 18206
37 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.517 -0.480 18206
38 1 . 1 1 11 11 ARG H H 11 8.339 8.339 7.997 0.342 18206
39 1 . 1 1 12 12 GLY N N 12 107.982 107.982 106.862 1.120 18206
40 1 . 1 1 12 12 GLY CA C 12 45.302 45.302 45.232 0.070 18206
41 1 . 1 1 12 12 GLY H H 12 8.099 8.099 7.469 0.630 18206
42 1 . 1 1 13 13 CYS N N 13 118.834 118.834 121.380 -2.546 18206
43 1 . 1 1 13 13 CYS HA H 13 4.723 4.723 4.347 0.376 18206
44 1 . 1 1 13 13 CYS CA C 13 56.283 56.283 60.070 -3.787 18206
45 1 . 1 1 13 13 CYS CB C 13 43.127 43.127 25.067 18.060 18206
46 1 . 1 1 13 13 CYS H H 13 8.172 8.172 7.805 0.367 18206
47 1 . 1 1 14 14 GLY N N 14 111.154 111.154 112.620 -1.466 18206
48 1 . 1 1 14 14 GLY CA C 14 44.409 44.409 44.761 -0.352 18206
49 1 . 1 1 14 14 GLY H H 14 8.499 8.499 7.808 0.691 18206
50 1 . 1 1 15 15 ARG N N 15 119.836 119.836 120.404 -0.568 18206
51 1 . 1 1 15 15 ARG HA H 15 3.813 3.813 4.050 -0.237 18206
52 1 . 1 1 15 15 ARG CA C 15 60.119 60.119 59.502 0.617 18206
53 1 . 1 1 15 15 ARG CB C 15 30.358 30.358 30.332 0.026 18206
54 1 . 1 1 15 15 ARG H H 15 8.601 8.601 8.805 -0.204 18206
55 1 . 1 1 16 16 TRP N N 16 118.904 118.904 121.528 -2.624 18206
56 1 . 1 1 16 16 TRP HA H 16 4.410 4.410 4.496 -0.086 18206
57 1 . 1 1 16 16 TRP CA C 16 62.943 62.943 61.460 1.483 18206
58 1 . 1 1 16 16 TRP CB C 16 28.730 28.730 29.016 -0.286 18206
59 1 . 1 1 16 16 TRP H H 16 8.787 8.787 8.139 0.648 18206
60 1 . 1 1 17 17 CYS N N 17 118.726 118.726 119.541 -0.815 18206
61 1 . 1 1 17 17 CYS HA H 17 4.433 4.433 4.136 0.297 18206
62 1 . 1 1 17 17 CYS CA C 17 59.092 59.092 60.983 -1.891 18206
63 1 . 1 1 17 17 CYS CB C 17 38.551 38.551 26.073 12.478 18206
64 1 . 1 1 17 17 CYS H H 17 9.016 9.016 8.606 0.410 18206
65 1 . 1 1 18 18 ARG N N 18 121.997 121.997 119.865 2.132 18206
66 1 . 1 1 18 18 ARG HA H 18 3.947 3.947 4.009 -0.062 18206
67 1 . 1 1 18 18 ARG CA C 18 59.992 59.992 59.402 0.590 18206
68 1 . 1 1 18 18 ARG CB C 18 29.956 29.956 30.179 -0.223 18206
69 1 . 1 1 18 18 ARG H H 18 8.824 8.824 8.534 0.290 18206
70 1 . 1 1 19 19 ASP N N 19 116.281 116.281 115.515 0.766 18206
71 1 . 1 1 19 19 ASP HA H 19 4.441 4.441 4.521 -0.080 18206
72 1 . 1 1 19 19 ASP CA C 19 55.307 55.307 56.142 -0.835 18206
73 1 . 1 1 19 19 ASP CB C 19 40.997 40.997 41.858 -0.861 18206
74 1 . 1 1 19 19 ASP H H 19 7.677 7.677 7.791 -0.114 18206
75 1 . 1 1 20 20 HIS N N 20 113.786 113.786 116.481 -2.695 18206
76 1 . 1 1 20 20 HIS HA H 20 4.491 4.491 4.428 0.063 18206
77 1 . 1 1 20 20 HIS CA C 20 56.841 56.841 57.482 -0.641 18206
78 1 . 1 1 20 20 HIS CB C 20 29.262 29.262 30.824 -1.562 18206
79 1 . 1 1 20 20 HIS H H 20 7.523 7.523 8.360 -0.837 18206
80 1 . 1 1 21 21 SER N N 21 115.298 115.298 114.352 0.946 18206
81 1 . 1 1 21 21 SER HA H 21 4.868 4.868 4.460 0.408 18206
82 1 . 1 1 21 21 SER CA C 21 57.831 57.831 58.228 -0.397 18206
83 1 . 1 1 21 21 SER CB C 21 66.406 66.406 64.577 1.829 18206
84 1 . 1 1 21 21 SER H H 21 8.084 8.084 7.703 0.381 18206
85 1 . 1 1 22 22 ARG N N 22 125.670 125.670 121.176 4.494 18206
86 1 . 1 1 22 22 ARG HA H 22 4.412 4.412 4.397 0.015 18206
87 1 . 1 1 22 22 ARG CA C 22 57.038 57.038 56.463 0.575 18206
88 1 . 1 1 22 22 ARG CB C 22 29.778 29.778 30.374 -0.596 18206
89 1 . 1 1 22 22 ARG H H 22 9.189 9.189 8.543 0.646 18206
90 1 . 1 1 23 23 CYS N N 23 116.441 116.441 118.878 -2.437 18206
91 1 . 1 1 23 23 CYS HA H 23 4.497 4.497 4.640 -0.143 18206
92 1 . 1 1 23 23 CYS CA C 23 56.829 56.829 57.883 -1.054 18206
93 1 . 1 1 23 23 CYS CB C 23 44.527 44.527 27.534 16.993 18206
94 1 . 1 1 23 23 CYS H H 23 8.338 8.338 8.016 0.322 18206
stop_
save_