data_18723
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18723
_Entry.PDB_ID 2LYF
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 18723
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 PHE N N 2 121.029 121.029 123.199 -2.170 18723
2 1 1 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.791 0.107 18723
3 1 1 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.353 -0.489 18723
4 1 1 . 1 1 2 2 PHE CB C 2 40.850 40.850 41.035 -0.185 18723
5 1 1 . 1 1 2 2 PHE H H 2 7.953 7.953 7.955 -0.002 18723
6 1 1 . 1 1 3 3 CYS N N 3 125.277 125.277 126.449 -1.172 18723
7 1 1 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.040 0.334 18723
8 1 1 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.405 -1.990 18723
9 1 1 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.219 19.040 18723
10 1 1 . 1 1 3 3 CYS H H 3 8.741 8.741 8.274 0.467 18723
11 1 1 . 1 1 4 4 ARG N N 4 122.866 122.866 122.427 0.439 18723
12 1 1 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.751 -0.145 18723
13 1 1 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.229 0.813 18723
14 1 1 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.448 0.045 18723
15 1 1 . 1 1 4 4 ARG H H 4 8.626 8.626 8.953 -0.327 18723
16 1 1 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.151 0.338 18723
17 1 1 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.337 -2.978 18723
18 1 1 . 1 1 5 5 CYS CB C 5 48.035 48.035 28.122 19.913 18723
19 1 1 . 1 1 5 5 CYS H H 5 9.070 9.070 8.574 0.496 18723
20 1 1 . 1 1 6 6 LEU N N 6 123.254 123.254 126.057 -2.803 18723
21 1 1 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.897 -0.179 18723
22 1 1 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.869 0.527 18723
23 1 1 . 1 1 6 6 LEU CB C 6 44.460 44.460 46.122 -1.662 18723
24 1 1 . 1 1 6 6 LEU H H 6 8.696 8.696 9.227 -0.531 18723
25 1 1 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.223 0.348 18723
26 1 1 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.764 -2.326 18723
27 1 1 . 1 1 7 7 CYS CB C 7 48.035 48.035 29.190 18.845 18723
28 1 1 . 1 1 7 7 CYS H H 7 9.111 9.111 8.811 0.300 18723
29 1 1 . 1 1 8 8 ARG N N 8 123.295 123.295 123.959 -0.664 18723
30 1 1 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.527 -0.005 18723
31 1 1 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.390 0.265 18723
32 1 1 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.979 0.490 18723
33 1 1 . 1 1 8 8 ARG H H 8 8.686 8.686 9.145 -0.459 18723
34 1 1 . 1 1 9 9 ARG N N 9 125.074 125.074 127.098 -2.024 18723
35 1 1 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.060 -0.135 18723
36 1 1 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.998 0.051 18723
37 1 1 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.847 -0.716 18723
38 1 1 . 1 1 9 9 ARG H H 9 9.570 9.570 9.414 0.156 18723
39 1 1 . 1 1 10 10 GLY N N 10 104.449 104.449 103.746 0.703 18723
40 1 1 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.822 0.497 18723
41 1 1 . 1 1 10 10 GLY H H 10 8.682 8.682 8.380 0.302 18723
42 1 1 . 1 1 11 11 VAL N N 11 121.730 121.730 123.357 -1.627 18723
43 1 1 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.217 0.084 18723
44 1 1 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.340 -0.574 18723
45 1 1 . 1 1 11 11 VAL CB C 11 33.509 33.509 31.976 1.534 18723
46 1 1 . 1 1 11 11 VAL H H 11 7.807 7.807 7.555 0.252 18723
47 1 1 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.035 0.432 18723
48 1 1 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.258 -2.956 18723
49 1 1 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.362 20.853 18723
50 1 1 . 1 1 12 12 CYS H H 12 9.082 9.082 9.017 0.065 18723
51 1 1 . 1 1 13 13 ARG N N 13 123.309 123.309 124.868 -1.559 18723
52 1 1 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.782 -0.091 18723
53 1 1 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.056 0.003 18723
54 1 1 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.586 -5.640 18723
55 1 1 . 1 1 13 13 ARG H H 13 8.676 8.676 9.241 -0.565 18723
56 1 1 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.029 0.499 18723
57 1 1 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.792 -3.186 18723
58 1 1 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.558 20.661 18723
59 1 1 . 1 1 14 14 CYS H H 14 9.111 9.111 8.896 0.214 18723
60 1 1 . 1 1 15 15 ILE N N 15 123.850 123.850 125.314 -1.464 18723
61 1 1 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.546 -0.137 18723
62 1 1 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.515 0.843 18723
63 1 1 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.224 -1.764 18723
64 1 1 . 1 1 15 15 ILE H H 15 8.782 8.782 9.294 -0.512 18723
65 1 1 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.432 0.166 18723
66 1 1 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.829 -2.358 18723
67 1 1 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.276 19.546 18723
68 1 1 . 1 1 16 16 CYS H H 16 9.138 9.138 8.938 0.200 18723
69 1 1 . 1 1 17 17 THR N N 17 118.568 118.568 120.294 -1.726 18723
70 1 1 . 1 1 17 17 THR HA H 17 4.486 4.486 4.708 -0.222 18723
71 1 1 . 1 1 17 17 THR CA C 17 61.120 61.120 61.900 -0.780 18723
72 1 1 . 1 1 17 17 THR CB C 17 70.385 70.385 71.132 -0.747 18723
73 1 1 . 1 1 17 17 THR H H 17 8.804 8.804 9.233 -0.429 18723
74 1 2 . 1 1 2 2 PHE N N 2 121.029 121.029 124.281 -3.252 18723
75 1 2 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.720 0.178 18723
76 1 2 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.956 -0.092 18723
77 1 2 . 1 1 2 2 PHE CB C 2 40.850 40.850 39.731 1.119 18723
78 1 2 . 1 1 2 2 PHE H H 2 7.953 7.953 7.781 0.172 18723
79 1 2 . 1 1 3 3 CYS N N 3 125.277 125.277 128.492 -3.215 18723
80 1 2 . 1 1 3 3 CYS HA H 3 5.374 5.374 4.756 0.618 18723
81 1 2 . 1 1 3 3 CYS CA C 3 55.415 55.415 58.095 -2.680 18723
82 1 2 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.067 20.192 18723
83 1 2 . 1 1 3 3 CYS H H 3 8.741 8.741 8.640 0.101 18723
84 1 2 . 1 1 4 4 ARG N N 4 122.866 122.866 125.648 -2.782 18723
85 1 2 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.416 0.190 18723
86 1 2 . 1 1 4 4 ARG CA C 4 55.042 55.042 53.917 1.125 18723
87 1 2 . 1 1 4 4 ARG CB C 4 32.493 32.493 31.667 0.826 18723
88 1 2 . 1 1 4 4 ARG H H 4 8.626 8.626 8.937 -0.311 18723
89 1 2 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.930 0.559 18723
90 1 2 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.111 -2.752 18723
91 1 2 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.095 20.940 18723
92 1 2 . 1 1 5 5 CYS H H 5 9.070 9.070 8.784 0.286 18723
93 1 2 . 1 1 6 6 LEU N N 6 123.254 123.254 123.513 -0.259 18723
94 1 2 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.945 -0.227 18723
95 1 2 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.455 0.941 18723
96 1 2 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.504 -0.044 18723
97 1 2 . 1 1 6 6 LEU H H 6 8.696 8.696 8.840 -0.144 18723
98 1 2 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.129 0.442 18723
99 1 2 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.319 -2.881 18723
100 1 2 . 1 1 7 7 CYS CB C 7 48.035 48.035 27.314 20.721 18723
101 1 2 . 1 1 7 7 CYS H H 7 9.111 9.111 8.650 0.461 18723
102 1 2 . 1 1 8 8 ARG N N 8 123.295 123.295 124.935 -1.640 18723
103 1 2 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.533 -0.011 18723
104 1 2 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.280 0.375 18723
105 1 2 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.317 0.152 18723
106 1 2 . 1 1 8 8 ARG H H 8 8.686 8.686 9.227 -0.541 18723
107 1 2 . 1 1 9 9 ARG N N 9 125.074 125.074 126.847 -1.773 18723
108 1 2 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.016 -0.091 18723
109 1 2 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.806 0.243 18723
110 1 2 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.965 -0.834 18723
111 1 2 . 1 1 9 9 ARG H H 9 9.570 9.570 9.297 0.273 18723
112 1 2 . 1 1 10 10 GLY N N 10 104.449 104.449 103.009 1.440 18723
113 1 2 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.949 0.369 18723
114 1 2 . 1 1 10 10 GLY H H 10 8.682 8.682 8.135 0.547 18723
115 1 2 . 1 1 11 11 VAL N N 11 121.730 121.730 122.932 -1.202 18723
116 1 2 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.284 0.017 18723
117 1 2 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.887 -0.121 18723
118 1 2 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.828 0.681 18723
119 1 2 . 1 1 11 11 VAL H H 11 7.807 7.807 7.594 0.213 18723
120 1 2 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.046 0.421 18723
121 1 2 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.411 -3.109 18723
122 1 2 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.250 20.965 18723
123 1 2 . 1 1 12 12 CYS H H 12 9.082 9.082 8.894 0.188 18723
124 1 2 . 1 1 13 13 ARG N N 13 123.309 123.309 125.102 -1.793 18723
125 1 2 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.745 -0.054 18723
126 1 2 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.082 0.977 18723
127 1 2 . 1 1 13 13 ARG CB C 13 27.946 27.946 32.772 -4.826 18723
128 1 2 . 1 1 13 13 ARG H H 13 8.676 8.676 9.359 -0.683 18723
129 1 2 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.186 0.342 18723
130 1 2 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.436 -2.830 18723
131 1 2 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.191 20.028 18723
132 1 2 . 1 1 14 14 CYS H H 14 9.111 9.111 8.851 0.260 18723
133 1 2 . 1 1 15 15 ILE N N 15 123.850 123.850 125.418 -1.568 18723
134 1 2 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.536 -0.127 18723
135 1 2 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.718 0.640 18723
136 1 2 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.981 -1.521 18723
137 1 2 . 1 1 15 15 ILE H H 15 8.782 8.782 9.166 -0.384 18723
138 1 2 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.590 0.008 18723
139 1 2 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.202 -1.731 18723
140 1 2 . 1 1 16 16 CYS CB C 16 47.821 47.821 27.814 20.007 18723
141 1 2 . 1 1 16 16 CYS H H 16 9.138 9.138 8.868 0.270 18723
142 1 2 . 1 1 17 17 THR N N 17 118.568 118.568 120.921 -2.353 18723
143 1 2 . 1 1 17 17 THR HA H 17 4.486 4.486 4.612 -0.126 18723
144 1 2 . 1 1 17 17 THR CA C 17 61.120 61.120 61.588 -0.468 18723
145 1 2 . 1 1 17 17 THR CB C 17 70.385 70.385 71.357 -0.972 18723
146 1 2 . 1 1 17 17 THR H H 17 8.804 8.804 9.125 -0.321 18723
147 1 3 . 1 1 2 2 PHE N N 2 121.029 121.029 123.279 -2.250 18723
148 1 3 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.885 0.013 18723
149 1 3 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.321 0.543 18723
150 1 3 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.695 0.155 18723
151 1 3 . 1 1 2 2 PHE H H 2 7.953 7.953 7.827 0.126 18723
152 1 3 . 1 1 3 3 CYS N N 3 125.277 125.277 127.562 -2.285 18723
153 1 3 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.156 0.218 18723
154 1 3 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.388 -1.973 18723
155 1 3 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.969 19.290 18723
156 1 3 . 1 1 3 3 CYS H H 3 8.741 8.741 8.717 0.024 18723
157 1 3 . 1 1 4 4 ARG N N 4 122.866 122.866 123.351 -0.485 18723
158 1 3 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.545 0.061 18723
159 1 3 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.180 0.862 18723
160 1 3 . 1 1 4 4 ARG CB C 4 32.493 32.493 31.224 1.269 18723
161 1 3 . 1 1 4 4 ARG H H 4 8.626 8.626 8.951 -0.325 18723
162 1 3 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.290 0.199 18723
163 1 3 . 1 1 5 5 CYS CA C 5 55.359 55.359 57.717 -2.358 18723
164 1 3 . 1 1 5 5 CYS CB C 5 48.035 48.035 28.065 19.970 18723
165 1 3 . 1 1 5 5 CYS H H 5 9.070 9.070 8.824 0.246 18723
166 1 3 . 1 1 6 6 LEU N N 6 123.254 123.254 122.470 0.784 18723
167 1 3 . 1 1 6 6 LEU HA H 6 4.718 4.718 5.032 -0.314 18723
168 1 3 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.747 0.649 18723
169 1 3 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.741 -0.281 18723
170 1 3 . 1 1 6 6 LEU H H 6 8.696 8.696 9.140 -0.444 18723
171 1 3 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.255 0.316 18723
172 1 3 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.038 -2.601 18723
173 1 3 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.424 19.611 18723
174 1 3 . 1 1 7 7 CYS H H 7 9.111 9.111 8.668 0.443 18723
175 1 3 . 1 1 8 8 ARG N N 8 123.295 123.295 124.102 -0.807 18723
176 1 3 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.536 -0.014 18723
177 1 3 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.794 -0.139 18723
178 1 3 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.716 -0.247 18723
179 1 3 . 1 1 8 8 ARG H H 8 8.686 8.686 9.135 -0.449 18723
180 1 3 . 1 1 9 9 ARG N N 9 125.074 125.074 127.312 -2.238 18723
181 1 3 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.042 -0.117 18723
182 1 3 . 1 1 9 9 ARG CA C 9 57.049 57.049 57.058 -0.009 18723
183 1 3 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.824 -0.693 18723
184 1 3 . 1 1 9 9 ARG H H 9 9.570 9.570 9.368 0.202 18723
185 1 3 . 1 1 10 10 GLY N N 10 104.449 104.449 104.837 -0.388 18723
186 1 3 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.776 0.542 18723
187 1 3 . 1 1 10 10 GLY H H 10 8.682 8.682 8.313 0.369 18723
188 1 3 . 1 1 11 11 VAL N N 11 121.730 121.730 121.996 -0.266 18723
189 1 3 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.411 -0.110 18723
190 1 3 . 1 1 11 11 VAL CA C 11 61.766 61.766 60.745 1.022 18723
191 1 3 . 1 1 11 11 VAL CB C 11 33.509 33.509 33.169 0.340 18723
192 1 3 . 1 1 11 11 VAL H H 11 7.807 7.807 7.696 0.111 18723
193 1 3 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.995 0.472 18723
194 1 3 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.496 -3.194 18723
195 1 3 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.453 20.762 18723
196 1 3 . 1 1 12 12 CYS H H 12 9.082 9.082 8.928 0.154 18723
197 1 3 . 1 1 13 13 ARG N N 13 123.309 123.309 125.149 -1.840 18723
198 1 3 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.786 -0.095 18723
199 1 3 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.410 0.649 18723
200 1 3 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.789 -5.843 18723
201 1 3 . 1 1 13 13 ARG H H 13 8.676 8.676 9.204 -0.528 18723
202 1 3 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.256 0.272 18723
203 1 3 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.180 -2.574 18723
204 1 3 . 1 1 14 14 CYS CB C 14 48.219 48.219 29.714 18.505 18723
205 1 3 . 1 1 14 14 CYS H H 14 9.111 9.111 8.728 0.383 18723
206 1 3 . 1 1 15 15 ILE N N 15 123.850 123.850 124.909 -1.059 18723
207 1 3 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.412 -0.003 18723
208 1 3 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.273 0.085 18723
209 1 3 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.140 -0.680 18723
210 1 3 . 1 1 15 15 ILE H H 15 8.782 8.782 9.142 -0.360 18723
211 1 3 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.384 0.214 18723
212 1 3 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.807 -2.336 18723
213 1 3 . 1 1 16 16 CYS CB C 16 47.821 47.821 27.976 19.845 18723
214 1 3 . 1 1 16 16 CYS H H 16 9.138 9.138 9.029 0.109 18723
215 1 3 . 1 1 17 17 THR N N 17 118.568 118.568 120.425 -1.857 18723
216 1 3 . 1 1 17 17 THR HA H 17 4.486 4.486 4.635 -0.149 18723
217 1 3 . 1 1 17 17 THR CA C 17 61.120 61.120 61.640 -0.520 18723
218 1 3 . 1 1 17 17 THR CB C 17 70.385 70.385 71.130 -0.745 18723
219 1 3 . 1 1 17 17 THR H H 17 8.804 8.804 9.144 -0.340 18723
220 1 4 . 1 1 2 2 PHE N N 2 121.029 121.029 123.188 -2.159 18723
221 1 4 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.863 0.035 18723
222 1 4 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.552 0.312 18723
223 1 4 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.859 -0.009 18723
224 1 4 . 1 1 2 2 PHE H H 2 7.953 7.953 7.819 0.134 18723
225 1 4 . 1 1 3 3 CYS N N 3 125.277 125.277 127.236 -1.959 18723
226 1 4 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.026 0.348 18723
227 1 4 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.706 -2.291 18723
228 1 4 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.519 19.740 18723
229 1 4 . 1 1 3 3 CYS H H 3 8.741 8.741 8.599 0.142 18723
230 1 4 . 1 1 4 4 ARG N N 4 122.866 122.866 122.904 -0.038 18723
231 1 4 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.678 -0.072 18723
232 1 4 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.295 0.747 18723
233 1 4 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.412 0.081 18723
234 1 4 . 1 1 4 4 ARG H H 4 8.626 8.626 9.075 -0.449 18723
235 1 4 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.010 0.479 18723
236 1 4 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.761 -3.402 18723
237 1 4 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.857 20.178 18723
238 1 4 . 1 1 5 5 CYS H H 5 9.070 9.070 8.800 0.270 18723
239 1 4 . 1 1 6 6 LEU N N 6 123.254 123.254 127.029 -3.775 18723
240 1 4 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.811 -0.093 18723
241 1 4 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.925 0.471 18723
242 1 4 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.978 -0.518 18723
243 1 4 . 1 1 6 6 LEU H H 6 8.696 8.696 9.193 -0.497 18723
244 1 4 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.249 0.322 18723
245 1 4 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.842 -2.405 18723
246 1 4 . 1 1 7 7 CYS CB C 7 48.035 48.035 27.709 20.326 18723
247 1 4 . 1 1 7 7 CYS H H 7 9.111 9.111 8.932 0.179 18723
248 1 4 . 1 1 8 8 ARG N N 8 123.295 123.295 124.508 -1.213 18723
249 1 4 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.529 -0.007 18723
250 1 4 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.618 0.037 18723
251 1 4 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.592 -0.123 18723
252 1 4 . 1 1 8 8 ARG H H 8 8.686 8.686 9.163 -0.477 18723
253 1 4 . 1 1 9 9 ARG N N 9 125.074 125.074 126.604 -1.530 18723
254 1 4 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.032 -0.107 18723
255 1 4 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.773 0.276 18723
256 1 4 . 1 1 9 9 ARG CB C 9 28.131 28.131 29.040 -0.909 18723
257 1 4 . 1 1 9 9 ARG H H 9 9.570 9.570 9.263 0.307 18723
258 1 4 . 1 1 10 10 GLY N N 10 104.449 104.449 103.774 0.675 18723
259 1 4 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.871 0.447 18723
260 1 4 . 1 1 10 10 GLY H H 10 8.682 8.682 8.168 0.514 18723
261 1 4 . 1 1 11 11 VAL N N 11 121.730 121.730 123.053 -1.323 18723
262 1 4 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.241 0.060 18723
263 1 4 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.669 0.097 18723
264 1 4 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.098 1.411 18723
265 1 4 . 1 1 11 11 VAL H H 11 7.807 7.807 7.689 0.118 18723
266 1 4 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.922 0.545 18723
267 1 4 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.406 -3.104 18723
268 1 4 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.843 20.372 18723
269 1 4 . 1 1 12 12 CYS H H 12 9.082 9.082 8.952 0.130 18723
270 1 4 . 1 1 13 13 ARG N N 13 123.309 123.309 125.361 -2.052 18723
271 1 4 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.752 -0.061 18723
272 1 4 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.404 0.655 18723
273 1 4 . 1 1 13 13 ARG CB C 13 27.946 27.946 32.673 -4.727 18723
274 1 4 . 1 1 13 13 ARG H H 13 8.676 8.676 8.895 -0.219 18723
275 1 4 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.155 0.373 18723
276 1 4 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.414 -2.808 18723
277 1 4 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.110 20.109 18723
278 1 4 . 1 1 14 14 CYS H H 14 9.111 9.111 8.875 0.236 18723
279 1 4 . 1 1 15 15 ILE N N 15 123.850 123.850 124.760 -0.910 18723
280 1 4 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.463 -0.054 18723
281 1 4 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.130 0.228 18723
282 1 4 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.230 -1.770 18723
283 1 4 . 1 1 15 15 ILE H H 15 8.782 8.782 9.315 -0.533 18723
284 1 4 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.101 0.497 18723
285 1 4 . 1 1 16 16 CYS CA C 16 55.471 55.471 58.085 -2.614 18723
286 1 4 . 1 1 16 16 CYS CB C 16 47.821 47.821 27.793 20.028 18723
287 1 4 . 1 1 16 16 CYS H H 16 9.138 9.138 8.966 0.172 18723
288 1 4 . 1 1 17 17 THR N N 17 118.568 118.568 120.377 -1.809 18723
289 1 4 . 1 1 17 17 THR HA H 17 4.486 4.486 4.625 -0.139 18723
290 1 4 . 1 1 17 17 THR CA C 17 61.120 61.120 61.644 -0.524 18723
291 1 4 . 1 1 17 17 THR CB C 17 70.385 70.385 70.796 -0.411 18723
292 1 4 . 1 1 17 17 THR H H 17 8.804 8.804 9.139 -0.335 18723
293 1 5 . 1 1 2 2 PHE N N 2 121.029 121.029 124.688 -3.659 18723
294 1 5 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.737 0.161 18723
295 1 5 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.885 -0.021 18723
296 1 5 . 1 1 2 2 PHE CB C 2 40.850 40.850 39.502 1.348 18723
297 1 5 . 1 1 2 2 PHE H H 2 7.953 7.953 8.094 -0.141 18723
298 1 5 . 1 1 3 3 CYS N N 3 125.277 125.277 127.741 -2.464 18723
299 1 5 . 1 1 3 3 CYS HA H 3 5.374 5.374 4.986 0.388 18723
300 1 5 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.674 -2.259 18723
301 1 5 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.497 19.762 18723
302 1 5 . 1 1 3 3 CYS H H 3 8.741 8.741 8.576 0.165 18723
303 1 5 . 1 1 4 4 ARG N N 4 122.866 122.866 122.733 0.133 18723
304 1 5 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.598 0.008 18723
305 1 5 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.365 0.677 18723
306 1 5 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.967 -0.474 18723
307 1 5 . 1 1 4 4 ARG H H 4 8.626 8.626 9.066 -0.440 18723
308 1 5 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.977 0.512 18723
309 1 5 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.458 -3.099 18723
310 1 5 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.613 20.422 18723
311 1 5 . 1 1 5 5 CYS H H 5 9.070 9.070 8.720 0.350 18723
312 1 5 . 1 1 6 6 LEU N N 6 123.254 123.254 126.890 -3.636 18723
313 1 5 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.759 -0.041 18723
314 1 5 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.853 0.543 18723
315 1 5 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.576 -1.116 18723
316 1 5 . 1 1 6 6 LEU H H 6 8.696 8.696 9.071 -0.375 18723
317 1 5 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.190 0.381 18723
318 1 5 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.919 -2.482 18723
319 1 5 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.382 19.653 18723
320 1 5 . 1 1 7 7 CYS H H 7 9.111 9.111 8.902 0.209 18723
321 1 5 . 1 1 8 8 ARG N N 8 123.295 123.295 124.600 -1.305 18723
322 1 5 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.537 -0.015 18723
323 1 5 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.761 -0.106 18723
324 1 5 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.752 0.717 18723
325 1 5 . 1 1 8 8 ARG H H 8 8.686 8.686 9.218 -0.532 18723
326 1 5 . 1 1 9 9 ARG N N 9 125.074 125.074 125.955 -0.881 18723
327 1 5 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.007 -0.082 18723
328 1 5 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.758 0.291 18723
329 1 5 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.045 0.086 18723
330 1 5 . 1 1 9 9 ARG H H 9 9.570 9.570 9.329 0.241 18723
331 1 5 . 1 1 10 10 GLY N N 10 104.449 104.449 104.101 0.348 18723
332 1 5 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.784 0.534 18723
333 1 5 . 1 1 10 10 GLY H H 10 8.682 8.682 8.453 0.229 18723
334 1 5 . 1 1 11 11 VAL N N 11 121.730 121.730 123.132 -1.402 18723
335 1 5 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.142 0.159 18723
336 1 5 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.948 -0.182 18723
337 1 5 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.303 1.206 18723
338 1 5 . 1 1 11 11 VAL H H 11 7.807 7.807 7.661 0.146 18723
339 1 5 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.918 0.549 18723
340 1 5 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.355 -3.053 18723
341 1 5 . 1 1 12 12 CYS CB C 12 48.215 48.215 26.949 21.266 18723
342 1 5 . 1 1 12 12 CYS H H 12 9.082 9.082 9.038 0.044 18723
343 1 5 . 1 1 13 13 ARG N N 13 123.309 123.309 125.676 -2.367 18723
344 1 5 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.728 -0.037 18723
345 1 5 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.151 -0.092 18723
346 1 5 . 1 1 13 13 ARG CB C 13 27.946 27.946 32.451 -4.505 18723
347 1 5 . 1 1 13 13 ARG H H 13 8.676 8.676 9.190 -0.514 18723
348 1 5 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.445 0.083 18723
349 1 5 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.155 -2.549 18723
350 1 5 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.565 20.654 18723
351 1 5 . 1 1 14 14 CYS H H 14 9.111 9.111 8.858 0.253 18723
352 1 5 . 1 1 15 15 ILE N N 15 123.850 123.850 124.795 -0.945 18723
353 1 5 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.531 -0.122 18723
354 1 5 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.745 0.613 18723
355 1 5 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.716 -1.256 18723
356 1 5 . 1 1 15 15 ILE H H 15 8.782 8.782 9.104 -0.322 18723
357 1 5 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.151 0.447 18723
358 1 5 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.530 -2.059 18723
359 1 5 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.124 19.697 18723
360 1 5 . 1 1 16 16 CYS H H 16 9.138 9.138 8.625 0.513 18723
361 1 5 . 1 1 17 17 THR N N 17 118.568 118.568 121.297 -2.729 18723
362 1 5 . 1 1 17 17 THR HA H 17 4.486 4.486 4.653 -0.167 18723
363 1 5 . 1 1 17 17 THR CA C 17 61.120 61.120 61.841 -0.721 18723
364 1 5 . 1 1 17 17 THR CB C 17 70.385 70.385 69.276 1.109 18723
365 1 5 . 1 1 17 17 THR H H 17 8.804 8.804 9.193 -0.389 18723
366 1 6 . 1 1 2 2 PHE N N 2 121.029 121.029 123.529 -2.500 18723
367 1 6 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.834 0.064 18723
368 1 6 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.861 0.002 18723
369 1 6 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.561 0.289 18723
370 1 6 . 1 1 2 2 PHE H H 2 7.953 7.953 8.072 -0.119 18723
371 1 6 . 1 1 3 3 CYS N N 3 125.277 125.277 127.960 -2.683 18723
372 1 6 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.289 0.085 18723
373 1 6 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.771 -2.356 18723
374 1 6 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.067 19.192 18723
375 1 6 . 1 1 3 3 CYS H H 3 8.741 8.741 8.546 0.195 18723
376 1 6 . 1 1 4 4 ARG N N 4 122.866 122.866 124.470 -1.604 18723
377 1 6 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.546 0.060 18723
378 1 6 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.053 0.989 18723
379 1 6 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.804 -1.311 18723
380 1 6 . 1 1 4 4 ARG H H 4 8.626 8.626 9.211 -0.585 18723
381 1 6 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.967 0.522 18723
382 1 6 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.609 -3.250 18723
383 1 6 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.339 20.696 18723
384 1 6 . 1 1 5 5 CYS H H 5 9.070 9.070 8.813 0.257 18723
385 1 6 . 1 1 6 6 LEU N N 6 123.254 123.254 127.295 -4.041 18723
386 1 6 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.721 -0.003 18723
387 1 6 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.873 0.523 18723
388 1 6 . 1 1 6 6 LEU CB C 6 44.460 44.460 43.296 1.164 18723
389 1 6 . 1 1 6 6 LEU H H 6 8.696 8.696 9.196 -0.500 18723
390 1 6 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.355 0.216 18723
391 1 6 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.594 -2.157 18723
392 1 6 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.909 19.126 18723
393 1 6 . 1 1 7 7 CYS H H 7 9.111 9.111 8.942 0.169 18723
394 1 6 . 1 1 8 8 ARG N N 8 123.295 123.295 123.407 -0.112 18723
395 1 6 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.558 -0.036 18723
396 1 6 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.797 -0.143 18723
397 1 6 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.374 0.095 18723
398 1 6 . 1 1 8 8 ARG H H 8 8.686 8.686 9.169 -0.483 18723
399 1 6 . 1 1 9 9 ARG N N 9 125.074 125.074 125.569 -0.495 18723
400 1 6 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.026 -0.101 18723
401 1 6 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.841 0.208 18723
402 1 6 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.290 -0.159 18723
403 1 6 . 1 1 9 9 ARG H H 9 9.570 9.570 9.302 0.268 18723
404 1 6 . 1 1 10 10 GLY N N 10 104.449 104.449 104.062 0.387 18723
405 1 6 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.815 0.504 18723
406 1 6 . 1 1 10 10 GLY H H 10 8.682 8.682 8.347 0.335 18723
407 1 6 . 1 1 11 11 VAL N N 11 121.730 121.730 123.575 -1.845 18723
408 1 6 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.201 0.100 18723
409 1 6 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.890 -0.124 18723
410 1 6 . 1 1 11 11 VAL CB C 11 33.509 33.509 31.665 1.844 18723
411 1 6 . 1 1 11 11 VAL H H 11 7.807 7.807 7.691 0.116 18723
412 1 6 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.894 0.573 18723
413 1 6 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.336 -3.034 18723
414 1 6 . 1 1 12 12 CYS CB C 12 48.215 48.215 28.076 20.139 18723
415 1 6 . 1 1 12 12 CYS H H 12 9.082 9.082 9.001 0.081 18723
416 1 6 . 1 1 13 13 ARG N N 13 123.309 123.309 124.820 -1.511 18723
417 1 6 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.744 -0.053 18723
418 1 6 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.153 -0.094 18723
419 1 6 . 1 1 13 13 ARG CB C 13 27.946 27.946 32.629 -4.683 18723
420 1 6 . 1 1 13 13 ARG H H 13 8.676 8.676 9.045 -0.369 18723
421 1 6 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.257 0.271 18723
422 1 6 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.565 -2.959 18723
423 1 6 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.283 20.936 18723
424 1 6 . 1 1 14 14 CYS H H 14 9.111 9.111 8.914 0.198 18723
425 1 6 . 1 1 15 15 ILE N N 15 123.850 123.850 124.363 -0.513 18723
426 1 6 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.635 -0.226 18723
427 1 6 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.139 0.220 18723
428 1 6 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.516 -2.056 18723
429 1 6 . 1 1 15 15 ILE H H 15 8.782 8.782 9.275 -0.493 18723
430 1 6 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.552 0.046 18723
431 1 6 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.602 -2.131 18723
432 1 6 . 1 1 16 16 CYS CB C 16 47.821 47.821 29.310 18.511 18723
433 1 6 . 1 1 16 16 CYS H H 16 9.138 9.138 8.735 0.403 18723
434 1 6 . 1 1 17 17 THR N N 17 118.568 118.568 120.998 -2.430 18723
435 1 6 . 1 1 17 17 THR HA H 17 4.486 4.486 4.806 -0.320 18723
436 1 6 . 1 1 17 17 THR CA C 17 61.120 61.120 61.874 -0.755 18723
437 1 6 . 1 1 17 17 THR CB C 17 70.385 70.385 71.673 -1.288 18723
438 1 6 . 1 1 17 17 THR H H 17 8.804 8.804 9.205 -0.401 18723
439 1 7 . 1 1 2 2 PHE N N 2 121.029 121.029 123.298 -2.269 18723
440 1 7 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.778 0.120 18723
441 1 7 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.303 -0.440 18723
442 1 7 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.765 0.085 18723
443 1 7 . 1 1 2 2 PHE H H 2 7.953 7.953 7.813 0.140 18723
444 1 7 . 1 1 3 3 CYS N N 3 125.277 125.277 127.733 -2.456 18723
445 1 7 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.281 0.093 18723
446 1 7 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.731 -2.316 18723
447 1 7 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.623 19.636 18723
448 1 7 . 1 1 3 3 CYS H H 3 8.741 8.741 8.313 0.428 18723
449 1 7 . 1 1 4 4 ARG N N 4 122.866 122.866 125.093 -2.227 18723
450 1 7 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.675 -0.069 18723
451 1 7 . 1 1 4 4 ARG CA C 4 55.042 55.042 53.999 1.043 18723
452 1 7 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.489 -0.996 18723
453 1 7 . 1 1 4 4 ARG H H 4 8.626 8.626 9.224 -0.598 18723
454 1 7 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.972 0.517 18723
455 1 7 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.185 -2.826 18723
456 1 7 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.241 20.794 18723
457 1 7 . 1 1 5 5 CYS H H 5 9.070 9.070 8.733 0.337 18723
458 1 7 . 1 1 6 6 LEU N N 6 123.254 123.254 124.622 -1.368 18723
459 1 7 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.852 -0.134 18723
460 1 7 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.332 1.064 18723
461 1 7 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.371 -0.911 18723
462 1 7 . 1 1 6 6 LEU H H 6 8.696 8.696 9.205 -0.509 18723
463 1 7 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.003 0.568 18723
464 1 7 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.889 -2.452 18723
465 1 7 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.072 19.963 18723
466 1 7 . 1 1 7 7 CYS H H 7 9.111 9.111 8.701 0.410 18723
467 1 7 . 1 1 8 8 ARG N N 8 123.295 123.295 125.072 -1.777 18723
468 1 7 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.488 0.034 18723
469 1 7 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.234 0.421 18723
470 1 7 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.032 1.437 18723
471 1 7 . 1 1 8 8 ARG H H 8 8.686 8.686 9.199 -0.513 18723
472 1 7 . 1 1 9 9 ARG N N 9 125.074 125.074 125.397 -0.323 18723
473 1 7 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.049 -0.124 18723
474 1 7 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.646 0.403 18723
475 1 7 . 1 1 9 9 ARG CB C 9 28.131 28.131 27.582 0.549 18723
476 1 7 . 1 1 9 9 ARG H H 9 9.570 9.570 9.330 0.240 18723
477 1 7 . 1 1 10 10 GLY N N 10 104.449 104.449 103.448 1.001 18723
478 1 7 . 1 1 10 10 GLY CA C 10 45.318 45.318 45.016 0.302 18723
479 1 7 . 1 1 10 10 GLY H H 10 8.682 8.682 8.232 0.450 18723
480 1 7 . 1 1 11 11 VAL N N 11 121.730 121.730 123.380 -1.650 18723
481 1 7 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.128 0.173 18723
482 1 7 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.066 -0.300 18723
483 1 7 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.534 0.975 18723
484 1 7 . 1 1 11 11 VAL H H 11 7.807 7.807 7.670 0.137 18723
485 1 7 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.131 0.336 18723
486 1 7 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.408 -3.106 18723
487 1 7 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.401 20.814 18723
488 1 7 . 1 1 12 12 CYS H H 12 9.082 9.082 8.943 0.139 18723
489 1 7 . 1 1 13 13 ARG N N 13 123.309 123.309 124.810 -1.501 18723
490 1 7 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.748 -0.057 18723
491 1 7 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.592 0.467 18723
492 1 7 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.719 -5.773 18723
493 1 7 . 1 1 13 13 ARG H H 13 8.676 8.676 9.341 -0.665 18723
494 1 7 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.141 0.387 18723
495 1 7 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.587 -2.981 18723
496 1 7 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.820 20.399 18723
497 1 7 . 1 1 14 14 CYS H H 14 9.111 9.111 8.754 0.357 18723
498 1 7 . 1 1 15 15 ILE N N 15 123.850 123.850 124.961 -1.111 18723
499 1 7 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.463 -0.054 18723
500 1 7 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.307 1.051 18723
501 1 7 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.505 -1.045 18723
502 1 7 . 1 1 15 15 ILE H H 15 8.782 8.782 9.331 -0.549 18723
503 1 7 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.578 0.020 18723
504 1 7 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.535 -2.064 18723
505 1 7 . 1 1 16 16 CYS CB C 16 47.821 47.821 30.590 17.231 18723
506 1 7 . 1 1 16 16 CYS H H 16 9.138 9.138 8.753 0.385 18723
507 1 7 . 1 1 17 17 THR N N 17 118.568 118.568 120.465 -1.897 18723
508 1 7 . 1 1 17 17 THR HA H 17 4.486 4.486 4.721 -0.235 18723
509 1 7 . 1 1 17 17 THR CA C 17 61.120 61.120 61.861 -0.741 18723
510 1 7 . 1 1 17 17 THR CB C 17 70.385 70.385 71.357 -0.972 18723
511 1 7 . 1 1 17 17 THR H H 17 8.804 8.804 9.205 -0.401 18723
512 1 8 . 1 1 2 2 PHE N N 2 121.029 121.029 123.753 -2.724 18723
513 1 8 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.815 0.083 18723
514 1 8 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.689 0.175 18723
515 1 8 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.121 0.729 18723
516 1 8 . 1 1 2 2 PHE H H 2 7.953 7.953 7.789 0.164 18723
517 1 8 . 1 1 3 3 CYS N N 3 125.277 125.277 128.530 -3.253 18723
518 1 8 . 1 1 3 3 CYS HA H 3 5.374 5.374 4.971 0.403 18723
519 1 8 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.969 -2.554 18723
520 1 8 . 1 1 3 3 CYS CB C 3 47.259 47.259 26.730 20.529 18723
521 1 8 . 1 1 3 3 CYS H H 3 8.741 8.741 8.721 0.020 18723
522 1 8 . 1 1 4 4 ARG N N 4 122.866 122.866 125.427 -2.561 18723
523 1 8 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.622 -0.016 18723
524 1 8 . 1 1 4 4 ARG CA C 4 55.042 55.042 55.023 0.019 18723
525 1 8 . 1 1 4 4 ARG CB C 4 32.493 32.493 34.187 -1.694 18723
526 1 8 . 1 1 4 4 ARG H H 4 8.626 8.626 9.127 -0.501 18723
527 1 8 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.093 0.396 18723
528 1 8 . 1 1 5 5 CYS CA C 5 55.359 55.359 57.968 -2.608 18723
529 1 8 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.678 20.357 18723
530 1 8 . 1 1 5 5 CYS H H 5 9.070 9.070 8.756 0.314 18723
531 1 8 . 1 1 6 6 LEU N N 6 123.254 123.254 125.398 -2.144 18723
532 1 8 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.808 -0.090 18723
533 1 8 . 1 1 6 6 LEU CA C 6 54.396 54.396 54.056 0.340 18723
534 1 8 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.169 -0.709 18723
535 1 8 . 1 1 6 6 LEU H H 6 8.696 8.696 9.124 -0.428 18723
536 1 8 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.196 0.375 18723
537 1 8 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.720 -2.283 18723
538 1 8 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.608 19.427 18723
539 1 8 . 1 1 7 7 CYS H H 7 9.111 9.111 8.497 0.614 18723
540 1 8 . 1 1 8 8 ARG N N 8 123.295 123.295 124.315 -1.020 18723
541 1 8 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.567 -0.045 18723
542 1 8 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.515 0.140 18723
543 1 8 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.855 -0.386 18723
544 1 8 . 1 1 8 8 ARG H H 8 8.686 8.686 9.230 -0.544 18723
545 1 8 . 1 1 9 9 ARG N N 9 125.074 125.074 126.462 -1.388 18723
546 1 8 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.029 -0.104 18723
547 1 8 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.810 0.239 18723
548 1 8 . 1 1 9 9 ARG CB C 9 28.131 28.131 29.056 -0.925 18723
549 1 8 . 1 1 9 9 ARG H H 9 9.570 9.570 9.269 0.301 18723
550 1 8 . 1 1 10 10 GLY N N 10 104.449 104.449 103.605 0.844 18723
551 1 8 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.819 0.499 18723
552 1 8 . 1 1 10 10 GLY H H 10 8.682 8.682 8.176 0.506 18723
553 1 8 . 1 1 11 11 VAL N N 11 121.730 121.730 121.214 0.516 18723
554 1 8 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.413 -0.112 18723
555 1 8 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.093 0.673 18723
556 1 8 . 1 1 11 11 VAL CB C 11 33.509 33.509 34.472 -0.963 18723
557 1 8 . 1 1 11 11 VAL H H 11 7.807 7.807 7.639 0.168 18723
558 1 8 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.152 0.315 18723
559 1 8 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.199 -2.897 18723
560 1 8 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.966 20.249 18723
561 1 8 . 1 1 12 12 CYS H H 12 9.082 9.082 8.718 0.364 18723
562 1 8 . 1 1 13 13 ARG N N 13 123.309 123.309 124.847 -1.538 18723
563 1 8 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.719 -0.028 18723
564 1 8 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.406 0.653 18723
565 1 8 . 1 1 13 13 ARG CB C 13 27.946 27.946 31.490 -3.544 18723
566 1 8 . 1 1 13 13 ARG H H 13 8.676 8.676 9.223 -0.547 18723
567 1 8 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.289 0.239 18723
568 1 8 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.540 -2.934 18723
569 1 8 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.351 19.868 18723
570 1 8 . 1 1 14 14 CYS H H 14 9.111 9.111 8.863 0.248 18723
571 1 8 . 1 1 15 15 ILE N N 15 123.850 123.850 124.675 -0.825 18723
572 1 8 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.596 -0.187 18723
573 1 8 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.541 0.817 18723
574 1 8 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.730 -2.270 18723
575 1 8 . 1 1 15 15 ILE H H 15 8.782 8.782 9.235 -0.453 18723
576 1 8 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.595 0.003 18723
577 1 8 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.675 -2.204 18723
578 1 8 . 1 1 16 16 CYS CB C 16 47.821 47.821 29.007 18.814 18723
579 1 8 . 1 1 16 16 CYS H H 16 9.138 9.138 8.769 0.369 18723
580 1 8 . 1 1 17 17 THR N N 17 118.568 118.568 119.973 -1.405 18723
581 1 8 . 1 1 17 17 THR HA H 17 4.486 4.486 4.648 -0.162 18723
582 1 8 . 1 1 17 17 THR CA C 17 61.120 61.120 61.972 -0.852 18723
583 1 8 . 1 1 17 17 THR CB C 17 70.385 70.385 71.316 -0.931 18723
584 1 8 . 1 1 17 17 THR H H 17 8.804 8.804 9.157 -0.353 18723
585 1 9 . 1 1 2 2 PHE N N 2 121.029 121.029 123.490 -2.461 18723
586 1 9 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.849 0.049 18723
587 1 9 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.427 0.437 18723
588 1 9 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.511 0.339 18723
589 1 9 . 1 1 2 2 PHE H H 2 7.953 7.953 7.812 0.141 18723
590 1 9 . 1 1 3 3 CYS N N 3 125.277 125.277 127.801 -2.524 18723
591 1 9 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.083 0.291 18723
592 1 9 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.321 -1.906 18723
593 1 9 . 1 1 3 3 CYS CB C 3 47.259 47.259 26.842 20.417 18723
594 1 9 . 1 1 3 3 CYS H H 3 8.741 8.741 8.620 0.121 18723
595 1 9 . 1 1 4 4 ARG N N 4 122.866 122.866 123.131 -0.265 18723
596 1 9 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.627 -0.021 18723
597 1 9 . 1 1 4 4 ARG CA C 4 55.042 55.042 53.901 1.141 18723
598 1 9 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.227 0.266 18723
599 1 9 . 1 1 4 4 ARG H H 4 8.626 8.626 9.012 -0.386 18723
600 1 9 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.943 0.546 18723
601 1 9 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.255 -2.896 18723
602 1 9 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.921 20.114 18723
603 1 9 . 1 1 5 5 CYS H H 5 9.070 9.070 8.674 0.396 18723
604 1 9 . 1 1 6 6 LEU N N 6 123.254 123.254 126.912 -3.658 18723
605 1 9 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.896 -0.178 18723
606 1 9 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.647 0.749 18723
607 1 9 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.474 -0.014 18723
608 1 9 . 1 1 6 6 LEU H H 6 8.696 8.696 9.167 -0.471 18723
609 1 9 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.401 0.170 18723
610 1 9 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.729 -2.292 18723
611 1 9 . 1 1 7 7 CYS CB C 7 48.035 48.035 29.678 18.357 18723
612 1 9 . 1 1 7 7 CYS H H 7 9.111 9.111 8.844 0.267 18723
613 1 9 . 1 1 8 8 ARG N N 8 123.295 123.295 123.423 -0.128 18723
614 1 9 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.566 -0.044 18723
615 1 9 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.775 -0.120 18723
616 1 9 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.772 -0.303 18723
617 1 9 . 1 1 8 8 ARG H H 8 8.686 8.686 9.093 -0.407 18723
618 1 9 . 1 1 9 9 ARG N N 9 125.074 125.074 123.984 1.090 18723
619 1 9 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.018 -0.093 18723
620 1 9 . 1 1 9 9 ARG CA C 9 57.049 57.049 57.306 -0.257 18723
621 1 9 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.366 -0.235 18723
622 1 9 . 1 1 9 9 ARG H H 9 9.570 9.570 9.230 0.340 18723
623 1 9 . 1 1 10 10 GLY N N 10 104.449 104.449 104.072 0.377 18723
624 1 9 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.845 0.473 18723
625 1 9 . 1 1 10 10 GLY H H 10 8.682 8.682 8.141 0.541 18723
626 1 9 . 1 1 11 11 VAL N N 11 121.730 121.730 121.930 -0.200 18723
627 1 9 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.385 -0.084 18723
628 1 9 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.072 0.694 18723
629 1 9 . 1 1 11 11 VAL CB C 11 33.509 33.509 33.640 -0.131 18723
630 1 9 . 1 1 11 11 VAL H H 11 7.807 7.807 7.743 0.064 18723
631 1 9 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.995 0.472 18723
632 1 9 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.120 -2.818 18723
633 1 9 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.839 20.376 18723
634 1 9 . 1 1 12 12 CYS H H 12 9.082 9.082 8.859 0.223 18723
635 1 9 . 1 1 13 13 ARG N N 13 123.309 123.309 125.098 -1.789 18723
636 1 9 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.740 -0.049 18723
637 1 9 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.986 0.072 18723
638 1 9 . 1 1 13 13 ARG CB C 13 27.946 27.946 32.397 -4.451 18723
639 1 9 . 1 1 13 13 ARG H H 13 8.676 8.676 9.223 -0.547 18723
640 1 9 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.038 0.490 18723
641 1 9 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.665 -3.059 18723
642 1 9 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.446 20.773 18723
643 1 9 . 1 1 14 14 CYS H H 14 9.111 9.111 8.909 0.202 18723
644 1 9 . 1 1 15 15 ILE N N 15 123.850 123.850 125.286 -1.436 18723
645 1 9 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.441 -0.032 18723
646 1 9 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.250 1.108 18723
647 1 9 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.597 -1.137 18723
648 1 9 . 1 1 15 15 ILE H H 15 8.782 8.782 9.270 -0.488 18723
649 1 9 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.301 0.297 18723
650 1 9 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.841 -2.370 18723
651 1 9 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.682 19.139 18723
652 1 9 . 1 1 16 16 CYS H H 16 9.138 9.138 8.844 0.294 18723
653 1 9 . 1 1 17 17 THR N N 17 118.568 118.568 120.091 -1.523 18723
654 1 9 . 1 1 17 17 THR HA H 17 4.486 4.486 4.615 -0.129 18723
655 1 9 . 1 1 17 17 THR CA C 17 61.120 61.120 61.827 -0.707 18723
656 1 9 . 1 1 17 17 THR CB C 17 70.385 70.385 71.540 -1.155 18723
657 1 9 . 1 1 17 17 THR H H 17 8.804 8.804 9.113 -0.309 18723
658 1 10 . 1 1 2 2 PHE N N 2 121.029 121.029 122.305 -1.276 18723
659 1 10 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.903 -0.005 18723
660 1 10 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.859 0.004 18723
661 1 10 . 1 1 2 2 PHE CB C 2 40.850 40.850 41.413 -0.563 18723
662 1 10 . 1 1 2 2 PHE H H 2 7.953 7.953 7.813 0.140 18723
663 1 10 . 1 1 3 3 CYS N N 3 125.277 125.277 126.919 -1.642 18723
664 1 10 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.422 -0.048 18723
665 1 10 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.353 -1.938 18723
666 1 10 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.931 18.328 18723
667 1 10 . 1 1 3 3 CYS H H 3 8.741 8.741 8.480 0.261 18723
668 1 10 . 1 1 4 4 ARG N N 4 122.866 122.866 122.393 0.473 18723
669 1 10 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.709 -0.103 18723
670 1 10 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.565 0.477 18723
671 1 10 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.309 0.184 18723
672 1 10 . 1 1 4 4 ARG H H 4 8.626 8.626 9.130 -0.504 18723
673 1 10 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.248 0.241 18723
674 1 10 . 1 1 5 5 CYS CA C 5 55.359 55.359 57.578 -2.220 18723
675 1 10 . 1 1 5 5 CYS CB C 5 48.035 48.035 28.159 19.877 18723
676 1 10 . 1 1 5 5 CYS H H 5 9.070 9.070 8.765 0.305 18723
677 1 10 . 1 1 6 6 LEU N N 6 123.254 123.254 123.230 0.024 18723
678 1 10 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.872 -0.154 18723
679 1 10 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.861 0.535 18723
680 1 10 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.900 -1.440 18723
681 1 10 . 1 1 6 6 LEU H H 6 8.696 8.696 9.311 -0.615 18723
682 1 10 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.090 0.481 18723
683 1 10 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.838 -2.401 18723
684 1 10 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.610 19.425 18723
685 1 10 . 1 1 7 7 CYS H H 7 9.111 9.111 8.664 0.447 18723
686 1 10 . 1 1 8 8 ARG N N 8 123.295 123.295 124.770 -1.475 18723
687 1 10 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.510 0.012 18723
688 1 10 . 1 1 8 8 ARG CA C 8 55.655 55.655 54.887 0.768 18723
689 1 10 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.175 1.294 18723
690 1 10 . 1 1 8 8 ARG H H 8 8.686 8.686 9.213 -0.527 18723
691 1 10 . 1 1 9 9 ARG N N 9 125.074 125.074 127.554 -2.480 18723
692 1 10 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.031 -0.106 18723
693 1 10 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.959 0.090 18723
694 1 10 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.668 -0.537 18723
695 1 10 . 1 1 9 9 ARG H H 9 9.570 9.570 9.411 0.159 18723
696 1 10 . 1 1 10 10 GLY N N 10 104.449 104.449 104.334 0.115 18723
697 1 10 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.843 0.475 18723
698 1 10 . 1 1 10 10 GLY H H 10 8.682 8.682 8.487 0.195 18723
699 1 10 . 1 1 11 11 VAL N N 11 121.730 121.730 123.275 -1.545 18723
700 1 10 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.285 0.016 18723
701 1 10 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.937 -0.171 18723
702 1 10 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.146 1.363 18723
703 1 10 . 1 1 11 11 VAL H H 11 7.807 7.807 7.584 0.223 18723
704 1 10 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.103 0.364 18723
705 1 10 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.526 -3.224 18723
706 1 10 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.696 20.519 18723
707 1 10 . 1 1 12 12 CYS H H 12 9.082 9.082 8.986 0.096 18723
708 1 10 . 1 1 13 13 ARG N N 13 123.309 123.309 124.781 -1.472 18723
709 1 10 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.775 -0.084 18723
710 1 10 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.504 0.555 18723
711 1 10 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.521 -5.575 18723
712 1 10 . 1 1 13 13 ARG H H 13 8.676 8.676 9.258 -0.582 18723
713 1 10 . 1 1 14 14 CYS HA H 14 5.528 5.528 4.915 0.613 18723
714 1 10 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.884 -3.278 18723
715 1 10 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.144 20.075 18723
716 1 10 . 1 1 14 14 CYS H H 14 9.111 9.111 8.838 0.273 18723
717 1 10 . 1 1 15 15 ILE N N 15 123.850 123.850 125.598 -1.748 18723
718 1 10 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.438 -0.029 18723
719 1 10 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.044 0.314 18723
720 1 10 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.201 -0.741 18723
721 1 10 . 1 1 15 15 ILE H H 15 8.782 8.782 9.312 -0.530 18723
722 1 10 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.608 -0.010 18723
723 1 10 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.777 -2.306 18723
724 1 10 . 1 1 16 16 CYS CB C 16 47.821 47.821 29.246 18.575 18723
725 1 10 . 1 1 16 16 CYS H H 16 9.138 9.138 8.938 0.200 18723
726 1 10 . 1 1 17 17 THR N N 17 118.568 118.568 119.860 -1.292 18723
727 1 10 . 1 1 17 17 THR HA H 17 4.486 4.486 4.661 -0.175 18723
728 1 10 . 1 1 17 17 THR CA C 17 61.120 61.120 61.670 -0.550 18723
729 1 10 . 1 1 17 17 THR CB C 17 70.385 70.385 71.652 -1.267 18723
730 1 10 . 1 1 17 17 THR H H 17 8.804 8.804 9.316 -0.512 18723
731 1 11 . 1 1 2 2 PHE N N 2 121.029 121.029 123.563 -2.534 18723
732 1 11 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.887 0.011 18723
733 1 11 . 1 1 2 2 PHE CA C 2 56.864 56.864 55.750 1.114 18723
734 1 11 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.150 0.700 18723
735 1 11 . 1 1 2 2 PHE H H 2 7.953 7.953 7.806 0.147 18723
736 1 11 . 1 1 3 3 CYS N N 3 125.277 125.277 128.738 -3.461 18723
737 1 11 . 1 1 3 3 CYS HA H 3 5.374 5.374 4.742 0.632 18723
738 1 11 . 1 1 3 3 CYS CA C 3 55.415 55.415 58.082 -2.667 18723
739 1 11 . 1 1 3 3 CYS CB C 3 47.259 47.259 26.506 20.753 18723
740 1 11 . 1 1 3 3 CYS H H 3 8.741 8.741 8.825 -0.084 18723
741 1 11 . 1 1 4 4 ARG N N 4 122.866 122.866 125.426 -2.560 18723
742 1 11 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.467 0.139 18723
743 1 11 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.796 0.246 18723
744 1 11 . 1 1 4 4 ARG CB C 4 32.493 32.493 34.094 -1.601 18723
745 1 11 . 1 1 4 4 ARG H H 4 8.626 8.626 8.951 -0.325 18723
746 1 11 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.178 0.311 18723
747 1 11 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.530 -3.171 18723
748 1 11 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.757 20.278 18723
749 1 11 . 1 1 5 5 CYS H H 5 9.070 9.070 8.693 0.377 18723
750 1 11 . 1 1 6 6 LEU N N 6 123.254 123.254 126.410 -3.156 18723
751 1 11 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.845 -0.127 18723
752 1 11 . 1 1 6 6 LEU CA C 6 54.396 54.396 54.096 0.299 18723
753 1 11 . 1 1 6 6 LEU CB C 6 44.460 44.460 46.433 -1.973 18723
754 1 11 . 1 1 6 6 LEU H H 6 8.696 8.696 9.317 -0.621 18723
755 1 11 . 1 1 7 7 CYS HA H 7 5.571 5.571 4.900 0.671 18723
756 1 11 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.593 -3.156 18723
757 1 11 . 1 1 7 7 CYS CB C 7 48.035 48.035 27.345 20.690 18723
758 1 11 . 1 1 7 7 CYS H H 7 9.111 9.111 8.864 0.247 18723
759 1 11 . 1 1 8 8 ARG N N 8 123.295 123.295 125.255 -1.960 18723
760 1 11 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.484 0.038 18723
761 1 11 . 1 1 8 8 ARG CA C 8 55.655 55.655 54.362 1.293 18723
762 1 11 . 1 1 8 8 ARG CB C 8 32.469 32.469 30.561 1.908 18723
763 1 11 . 1 1 8 8 ARG H H 8 8.686 8.686 9.173 -0.487 18723
764 1 11 . 1 1 9 9 ARG N N 9 125.074 125.074 126.650 -1.576 18723
765 1 11 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.033 -0.108 18723
766 1 11 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.549 0.500 18723
767 1 11 . 1 1 9 9 ARG CB C 9 28.131 28.131 27.407 0.724 18723
768 1 11 . 1 1 9 9 ARG H H 9 9.570 9.570 9.358 0.212 18723
769 1 11 . 1 1 10 10 GLY N N 10 104.449 104.449 103.624 0.825 18723
770 1 11 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.860 0.458 18723
771 1 11 . 1 1 10 10 GLY H H 10 8.682 8.682 8.411 0.271 18723
772 1 11 . 1 1 11 11 VAL N N 11 121.730 121.730 123.366 -1.636 18723
773 1 11 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.255 0.046 18723
774 1 11 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.489 0.277 18723
775 1 11 . 1 1 11 11 VAL CB C 11 33.509 33.509 31.823 1.686 18723
776 1 11 . 1 1 11 11 VAL H H 11 7.807 7.807 7.664 0.143 18723
777 1 11 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.674 0.793 18723
778 1 11 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.248 -2.946 18723
779 1 11 . 1 1 12 12 CYS CB C 12 48.215 48.215 28.565 19.650 18723
780 1 11 . 1 1 12 12 CYS H H 12 9.082 9.082 8.868 0.214 18723
781 1 11 . 1 1 13 13 ARG N N 13 123.309 123.309 124.742 -1.433 18723
782 1 11 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.751 -0.060 18723
783 1 11 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.850 0.209 18723
784 1 11 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.244 -5.298 18723
785 1 11 . 1 1 13 13 ARG H H 13 8.676 8.676 8.947 -0.271 18723
786 1 11 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.309 0.219 18723
787 1 11 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.025 -2.419 18723
788 1 11 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.637 19.582 18723
789 1 11 . 1 1 14 14 CYS H H 14 9.111 9.111 8.513 0.598 18723
790 1 11 . 1 1 15 15 ILE N N 15 123.850 123.850 124.236 -0.386 18723
791 1 11 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.623 -0.214 18723
792 1 11 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.940 0.418 18723
793 1 11 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.270 -1.810 18723
794 1 11 . 1 1 15 15 ILE H H 15 8.782 8.782 9.314 -0.532 18723
795 1 11 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.368 0.230 18723
796 1 11 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.759 -2.288 18723
797 1 11 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.154 19.668 18723
798 1 11 . 1 1 16 16 CYS H H 16 9.138 9.138 8.870 0.268 18723
799 1 11 . 1 1 17 17 THR N N 17 118.568 118.568 120.423 -1.855 18723
800 1 11 . 1 1 17 17 THR HA H 17 4.486 4.486 4.642 -0.156 18723
801 1 11 . 1 1 17 17 THR CA C 17 61.120 61.120 61.578 -0.458 18723
802 1 11 . 1 1 17 17 THR CB C 17 70.385 70.385 71.157 -0.772 18723
803 1 11 . 1 1 17 17 THR H H 17 8.804 8.804 9.166 -0.362 18723
804 1 12 . 1 1 2 2 PHE N N 2 121.029 121.029 123.610 -2.581 18723
805 1 12 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.791 0.107 18723
806 1 12 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.217 -0.353 18723
807 1 12 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.469 0.381 18723
808 1 12 . 1 1 2 2 PHE H H 2 7.953 7.953 7.776 0.177 18723
809 1 12 . 1 1 3 3 CYS N N 3 125.277 125.277 127.694 -2.417 18723
810 1 12 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.123 0.251 18723
811 1 12 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.454 -2.039 18723
812 1 12 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.166 19.093 18723
813 1 12 . 1 1 3 3 CYS H H 3 8.741 8.741 8.610 0.131 18723
814 1 12 . 1 1 4 4 ARG N N 4 122.866 122.866 124.656 -1.790 18723
815 1 12 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.584 0.022 18723
816 1 12 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.998 0.044 18723
817 1 12 . 1 1 4 4 ARG CB C 4 32.493 32.493 31.055 1.438 18723
818 1 12 . 1 1 4 4 ARG H H 4 8.626 8.626 9.069 -0.443 18723
819 1 12 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.138 0.351 18723
820 1 12 . 1 1 5 5 CYS CA C 5 55.359 55.359 57.985 -2.626 18723
821 1 12 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.730 20.305 18723
822 1 12 . 1 1 5 5 CYS H H 5 9.070 9.070 8.807 0.263 18723
823 1 12 . 1 1 6 6 LEU N N 6 123.254 123.254 122.377 0.877 18723
824 1 12 . 1 1 6 6 LEU HA H 6 4.718 4.718 5.015 -0.297 18723
825 1 12 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.885 0.511 18723
826 1 12 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.005 -0.545 18723
827 1 12 . 1 1 6 6 LEU H H 6 8.696 8.696 9.136 -0.440 18723
828 1 12 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.301 0.270 18723
829 1 12 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.083 -2.646 18723
830 1 12 . 1 1 7 7 CYS CB C 7 48.035 48.035 27.973 20.062 18723
831 1 12 . 1 1 7 7 CYS H H 7 9.111 9.111 8.637 0.474 18723
832 1 12 . 1 1 8 8 ARG N N 8 123.295 123.295 124.690 -1.395 18723
833 1 12 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.506 0.016 18723
834 1 12 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.671 -0.016 18723
835 1 12 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.531 -0.062 18723
836 1 12 . 1 1 8 8 ARG H H 8 8.686 8.686 9.135 -0.449 18723
837 1 12 . 1 1 9 9 ARG N N 9 125.074 125.074 127.193 -2.119 18723
838 1 12 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.036 -0.111 18723
839 1 12 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.483 0.566 18723
840 1 12 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.458 -0.327 18723
841 1 12 . 1 1 9 9 ARG H H 9 9.570 9.570 9.198 0.372 18723
842 1 12 . 1 1 10 10 GLY N N 10 104.449 104.449 103.163 1.286 18723
843 1 12 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.917 0.401 18723
844 1 12 . 1 1 10 10 GLY H H 10 8.682 8.682 8.173 0.509 18723
845 1 12 . 1 1 11 11 VAL N N 11 121.730 121.730 123.311 -1.581 18723
846 1 12 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.051 0.250 18723
847 1 12 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.375 -0.609 18723
848 1 12 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.102 1.407 18723
849 1 12 . 1 1 11 11 VAL H H 11 7.807 7.807 7.665 0.142 18723
850 1 12 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.021 0.446 18723
851 1 12 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.022 -2.720 18723
852 1 12 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.403 20.812 18723
853 1 12 . 1 1 12 12 CYS H H 12 9.082 9.082 8.852 0.230 18723
854 1 12 . 1 1 13 13 ARG N N 13 123.309 123.309 125.192 -1.883 18723
855 1 12 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.753 -0.062 18723
856 1 12 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.650 -0.591 18723
857 1 12 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.937 -5.991 18723
858 1 12 . 1 1 13 13 ARG H H 13 8.676 8.676 9.252 -0.576 18723
859 1 12 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.269 0.259 18723
860 1 12 . 1 1 14 14 CYS CA C 14 55.606 55.606 57.718 -2.112 18723
861 1 12 . 1 1 14 14 CYS CB C 14 48.219 48.219 29.253 18.966 18723
862 1 12 . 1 1 14 14 CYS H H 14 9.111 9.111 8.638 0.473 18723
863 1 12 . 1 1 15 15 ILE N N 15 123.850 123.850 125.494 -1.644 18723
864 1 12 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.326 0.083 18723
865 1 12 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.322 1.036 18723
866 1 12 . 1 1 15 15 ILE CB C 15 40.460 40.460 37.373 3.087 18723
867 1 12 . 1 1 15 15 ILE H H 15 8.782 8.782 9.180 -0.398 18723
868 1 12 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.091 0.507 18723
869 1 12 . 1 1 16 16 CYS CA C 16 55.471 55.471 58.127 -2.656 18723
870 1 12 . 1 1 16 16 CYS CB C 16 47.821 47.821 27.723 20.098 18723
871 1 12 . 1 1 16 16 CYS H H 16 9.138 9.138 9.052 0.086 18723
872 1 12 . 1 1 17 17 THR N N 17 118.568 118.568 121.427 -2.859 18723
873 1 12 . 1 1 17 17 THR HA H 17 4.486 4.486 4.629 -0.143 18723
874 1 12 . 1 1 17 17 THR CA C 17 61.120 61.120 61.886 -0.767 18723
875 1 12 . 1 1 17 17 THR CB C 17 70.385 70.385 70.206 0.179 18723
876 1 12 . 1 1 17 17 THR H H 17 8.804 8.804 9.199 -0.395 18723
877 1 13 . 1 1 2 2 PHE N N 2 121.029 121.029 123.136 -2.107 18723
878 1 13 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.862 0.036 18723
879 1 13 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.544 0.320 18723
880 1 13 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.743 0.107 18723
881 1 13 . 1 1 2 2 PHE H H 2 7.953 7.953 7.795 0.158 18723
882 1 13 . 1 1 3 3 CYS N N 3 125.277 125.277 127.491 -2.214 18723
883 1 13 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.099 0.275 18723
884 1 13 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.511 -2.096 18723
885 1 13 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.162 19.097 18723
886 1 13 . 1 1 3 3 CYS H H 3 8.741 8.741 8.540 0.201 18723
887 1 13 . 1 1 4 4 ARG N N 4 122.866 122.866 123.831 -0.965 18723
888 1 13 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.600 0.006 18723
889 1 13 . 1 1 4 4 ARG CA C 4 55.042 55.042 55.367 -0.325 18723
890 1 13 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.586 -1.093 18723
891 1 13 . 1 1 4 4 ARG H H 4 8.626 8.626 9.041 -0.415 18723
892 1 13 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.207 0.282 18723
893 1 13 . 1 1 5 5 CYS CA C 5 55.359 55.359 57.550 -2.191 18723
894 1 13 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.705 20.330 18723
895 1 13 . 1 1 5 5 CYS H H 5 9.070 9.070 8.664 0.406 18723
896 1 13 . 1 1 6 6 LEU N N 6 123.254 123.254 124.930 -1.676 18723
897 1 13 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.810 -0.092 18723
898 1 13 . 1 1 6 6 LEU CA C 6 54.396 54.396 54.116 0.280 18723
899 1 13 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.561 -1.101 18723
900 1 13 . 1 1 6 6 LEU H H 6 8.696 8.696 9.280 -0.584 18723
901 1 13 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.192 0.379 18723
902 1 13 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.776 -2.339 18723
903 1 13 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.930 19.105 18723
904 1 13 . 1 1 7 7 CYS H H 7 9.111 9.111 8.527 0.584 18723
905 1 13 . 1 1 8 8 ARG N N 8 123.295 123.295 124.248 -0.953 18723
906 1 13 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.542 -0.020 18723
907 1 13 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.625 0.030 18723
908 1 13 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.075 0.394 18723
909 1 13 . 1 1 8 8 ARG H H 8 8.686 8.686 9.174 -0.488 18723
910 1 13 . 1 1 9 9 ARG N N 9 125.074 125.074 125.870 -0.796 18723
911 1 13 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.051 -0.126 18723
912 1 13 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.759 0.290 18723
913 1 13 . 1 1 9 9 ARG CB C 9 28.131 28.131 27.656 0.475 18723
914 1 13 . 1 1 9 9 ARG H H 9 9.570 9.570 9.358 0.212 18723
915 1 13 . 1 1 10 10 GLY N N 10 104.449 104.449 103.691 0.758 18723
916 1 13 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.828 0.490 18723
917 1 13 . 1 1 10 10 GLY H H 10 8.682 8.682 8.386 0.296 18723
918 1 13 . 1 1 11 11 VAL N N 11 121.730 121.730 123.375 -1.645 18723
919 1 13 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.108 0.193 18723
920 1 13 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.106 -0.340 18723
921 1 13 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.196 1.313 18723
922 1 13 . 1 1 11 11 VAL H H 11 7.807 7.807 7.687 0.120 18723
923 1 13 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.051 0.416 18723
924 1 13 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.361 -3.059 18723
925 1 13 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.129 21.086 18723
926 1 13 . 1 1 12 12 CYS H H 12 9.082 9.082 8.971 0.111 18723
927 1 13 . 1 1 13 13 ARG N N 13 123.309 123.309 124.808 -1.499 18723
928 1 13 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.799 -0.108 18723
929 1 13 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.213 -0.154 18723
930 1 13 . 1 1 13 13 ARG CB C 13 27.946 27.946 34.498 -6.553 18723
931 1 13 . 1 1 13 13 ARG H H 13 8.676 8.676 9.263 -0.587 18723
932 1 13 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.090 0.438 18723
933 1 13 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.349 -2.743 18723
934 1 13 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.375 19.844 18723
935 1 13 . 1 1 14 14 CYS H H 14 9.111 9.111 8.802 0.309 18723
936 1 13 . 1 1 15 15 ILE N N 15 123.850 123.850 124.886 -1.036 18723
937 1 13 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.460 -0.051 18723
938 1 13 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.235 0.123 18723
939 1 13 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.890 -1.430 18723
940 1 13 . 1 1 15 15 ILE H H 15 8.782 8.782 9.250 -0.468 18723
941 1 13 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.324 0.274 18723
942 1 13 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.870 -2.399 18723
943 1 13 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.267 19.554 18723
944 1 13 . 1 1 16 16 CYS H H 16 9.138 9.138 8.897 0.241 18723
945 1 13 . 1 1 17 17 THR N N 17 118.568 118.568 119.899 -1.331 18723
946 1 13 . 1 1 17 17 THR HA H 17 4.486 4.486 4.633 -0.147 18723
947 1 13 . 1 1 17 17 THR CA C 17 61.120 61.120 61.785 -0.665 18723
948 1 13 . 1 1 17 17 THR CB C 17 70.385 70.385 71.523 -1.138 18723
949 1 13 . 1 1 17 17 THR H H 17 8.804 8.804 9.103 -0.299 18723
950 1 14 . 1 1 2 2 PHE N N 2 121.029 121.029 124.481 -3.452 18723
951 1 14 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.696 0.202 18723
952 1 14 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.806 -0.942 18723
953 1 14 . 1 1 2 2 PHE CB C 2 40.850 40.850 39.693 1.157 18723
954 1 14 . 1 1 2 2 PHE H H 2 7.953 7.953 7.995 -0.042 18723
955 1 14 . 1 1 3 3 CYS N N 3 125.277 125.277 128.046 -2.769 18723
956 1 14 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.539 -0.165 18723
957 1 14 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.471 -2.056 18723
958 1 14 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.973 18.286 18723
959 1 14 . 1 1 3 3 CYS H H 3 8.741 8.741 8.522 0.219 18723
960 1 14 . 1 1 4 4 ARG N N 4 122.866 122.866 124.396 -1.530 18723
961 1 14 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.607 -0.001 18723
962 1 14 . 1 1 4 4 ARG CA C 4 55.042 55.042 53.951 1.091 18723
963 1 14 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.931 -0.438 18723
964 1 14 . 1 1 4 4 ARG H H 4 8.626 8.626 9.192 -0.566 18723
965 1 14 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.091 0.398 18723
966 1 14 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.031 -2.672 18723
967 1 14 . 1 1 5 5 CYS CB C 5 48.035 48.035 28.013 20.022 18723
968 1 14 . 1 1 5 5 CYS H H 5 9.070 9.070 8.741 0.329 18723
969 1 14 . 1 1 6 6 LEU N N 6 123.254 123.254 122.246 1.008 18723
970 1 14 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.995 -0.277 18723
971 1 14 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.844 0.552 18723
972 1 14 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.778 -0.318 18723
973 1 14 . 1 1 6 6 LEU H H 6 8.696 8.696 9.169 -0.473 18723
974 1 14 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.321 0.250 18723
975 1 14 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.010 -2.573 18723
976 1 14 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.416 19.619 18723
977 1 14 . 1 1 7 7 CYS H H 7 9.111 9.111 8.640 0.471 18723
978 1 14 . 1 1 8 8 ARG N N 8 123.295 123.295 123.765 -0.470 18723
979 1 14 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.593 -0.071 18723
980 1 14 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.742 -0.087 18723
981 1 14 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.971 -0.501 18723
982 1 14 . 1 1 8 8 ARG H H 8 8.686 8.686 9.224 -0.538 18723
983 1 14 . 1 1 9 9 ARG N N 9 125.074 125.074 125.238 -0.164 18723
984 1 14 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.034 -0.109 18723
985 1 14 . 1 1 9 9 ARG CA C 9 57.049 57.049 57.069 -0.020 18723
986 1 14 . 1 1 9 9 ARG CB C 9 28.131 28.131 27.690 0.441 18723
987 1 14 . 1 1 9 9 ARG H H 9 9.570 9.570 9.202 0.368 18723
988 1 14 . 1 1 10 10 GLY N N 10 104.449 104.449 105.245 -0.796 18723
989 1 14 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.726 0.592 18723
990 1 14 . 1 1 10 10 GLY H H 10 8.682 8.682 8.367 0.315 18723
991 1 14 . 1 1 11 11 VAL N N 11 121.730 121.730 122.045 -0.315 18723
992 1 14 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.253 0.048 18723
993 1 14 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.449 0.317 18723
994 1 14 . 1 1 11 11 VAL CB C 11 33.509 33.509 33.282 0.227 18723
995 1 14 . 1 1 11 11 VAL H H 11 7.807 7.807 7.839 -0.032 18723
996 1 14 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.057 0.410 18723
997 1 14 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.491 -3.189 18723
998 1 14 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.247 20.968 18723
999 1 14 . 1 1 12 12 CYS H H 12 9.082 9.082 8.976 0.106 18723
1000 1 14 . 1 1 13 13 ARG N N 13 123.309 123.309 125.177 -1.868 18723
1001 1 14 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.799 -0.108 18723
1002 1 14 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.516 0.543 18723
1003 1 14 . 1 1 13 13 ARG CB C 13 27.946 27.946 34.084 -6.138 18723
1004 1 14 . 1 1 13 13 ARG H H 13 8.676 8.676 9.171 -0.495 18723
1005 1 14 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.207 0.321 18723
1006 1 14 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.270 -2.664 18723
1007 1 14 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.950 19.269 18723
1008 1 14 . 1 1 14 14 CYS H H 14 9.111 9.111 8.803 0.308 18723
1009 1 14 . 1 1 15 15 ILE N N 15 123.850 123.850 124.509 -0.659 18723
1010 1 14 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.571 -0.162 18723
1011 1 14 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.386 -0.028 18723
1012 1 14 . 1 1 15 15 ILE CB C 15 40.460 40.460 40.790 -0.330 18723
1013 1 14 . 1 1 15 15 ILE H H 15 8.782 8.782 9.048 -0.266 18723
1014 1 14 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.621 -0.023 18723
1015 1 14 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.765 -2.294 18723
1016 1 14 . 1 1 16 16 CYS CB C 16 47.821 47.821 29.330 18.491 18723
1017 1 14 . 1 1 16 16 CYS H H 16 9.138 9.138 9.027 0.111 18723
1018 1 14 . 1 1 17 17 THR N N 17 118.568 118.568 120.769 -2.201 18723
1019 1 14 . 1 1 17 17 THR HA H 17 4.486 4.486 4.720 -0.234 18723
1020 1 14 . 1 1 17 17 THR CA C 17 61.120 61.120 61.734 -0.614 18723
1021 1 14 . 1 1 17 17 THR CB C 17 70.385 70.385 70.501 -0.116 18723
1022 1 14 . 1 1 17 17 THR H H 17 8.804 8.804 9.276 -0.472 18723
1023 1 15 . 1 1 2 2 PHE N N 2 121.029 121.029 123.455 -2.426 18723
1024 1 15 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.836 0.062 18723
1025 1 15 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.621 0.243 18723
1026 1 15 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.642 0.208 18723
1027 1 15 . 1 1 2 2 PHE H H 2 7.953 7.953 8.010 -0.057 18723
1028 1 15 . 1 1 3 3 CYS N N 3 125.277 125.277 127.511 -2.234 18723
1029 1 15 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.130 0.244 18723
1030 1 15 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.610 -2.195 18723
1031 1 15 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.756 19.503 18723
1032 1 15 . 1 1 3 3 CYS H H 3 8.741 8.741 8.620 0.121 18723
1033 1 15 . 1 1 4 4 ARG N N 4 122.866 122.866 124.271 -1.405 18723
1034 1 15 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.548 0.058 18723
1035 1 15 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.473 0.569 18723
1036 1 15 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.121 -0.628 18723
1037 1 15 . 1 1 4 4 ARG H H 4 8.626 8.626 9.023 -0.397 18723
1038 1 15 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.146 0.343 18723
1039 1 15 . 1 1 5 5 CYS CA C 5 55.359 55.359 57.874 -2.515 18723
1040 1 15 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.767 20.268 18723
1041 1 15 . 1 1 5 5 CYS H H 5 9.070 9.070 8.671 0.399 18723
1042 1 15 . 1 1 6 6 LEU N N 6 123.254 123.254 122.920 0.334 18723
1043 1 15 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.946 -0.228 18723
1044 1 15 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.742 0.654 18723
1045 1 15 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.452 0.008 18723
1046 1 15 . 1 1 6 6 LEU H H 6 8.696 8.696 9.045 -0.349 18723
1047 1 15 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.440 0.131 18723
1048 1 15 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.168 -2.731 18723
1049 1 15 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.378 19.657 18723
1050 1 15 . 1 1 7 7 CYS H H 7 9.111 9.111 8.568 0.543 18723
1051 1 15 . 1 1 8 8 ARG N N 8 123.295 123.295 124.025 -0.730 18723
1052 1 15 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.542 -0.020 18723
1053 1 15 . 1 1 8 8 ARG CA C 8 55.655 55.655 54.651 1.004 18723
1054 1 15 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.588 0.881 18723
1055 1 15 . 1 1 8 8 ARG H H 8 8.686 8.686 9.217 -0.531 18723
1056 1 15 . 1 1 9 9 ARG N N 9 125.074 125.074 125.386 -0.312 18723
1057 1 15 . 1 1 9 9 ARG HA H 9 3.925 3.925 3.984 -0.059 18723
1058 1 15 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.682 0.367 18723
1059 1 15 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.572 -0.441 18723
1060 1 15 . 1 1 9 9 ARG H H 9 9.570 9.570 9.246 0.324 18723
1061 1 15 . 1 1 10 10 GLY N N 10 104.449 104.449 102.871 1.578 18723
1062 1 15 . 1 1 10 10 GLY CA C 10 45.318 45.318 45.122 0.196 18723
1063 1 15 . 1 1 10 10 GLY H H 10 8.682 8.682 8.118 0.564 18723
1064 1 15 . 1 1 11 11 VAL N N 11 121.730 121.730 123.924 -2.194 18723
1065 1 15 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.106 0.195 18723
1066 1 15 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.884 -1.118 18723
1067 1 15 . 1 1 11 11 VAL CB C 11 33.509 33.509 31.801 1.708 18723
1068 1 15 . 1 1 11 11 VAL H H 11 7.807 7.807 7.559 0.248 18723
1069 1 15 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.003 0.464 18723
1070 1 15 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.328 -3.026 18723
1071 1 15 . 1 1 12 12 CYS CB C 12 48.215 48.215 26.520 21.695 18723
1072 1 15 . 1 1 12 12 CYS H H 12 9.082 9.082 8.949 0.133 18723
1073 1 15 . 1 1 13 13 ARG N N 13 123.309 123.309 125.673 -2.364 18723
1074 1 15 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.777 -0.086 18723
1075 1 15 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.233 -0.174 18723
1076 1 15 . 1 1 13 13 ARG CB C 13 27.946 27.946 34.384 -6.438 18723
1077 1 15 . 1 1 13 13 ARG H H 13 8.676 8.676 9.219 -0.543 18723
1078 1 15 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.252 0.276 18723
1079 1 15 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.439 -2.833 18723
1080 1 15 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.768 20.451 18723
1081 1 15 . 1 1 14 14 CYS H H 14 9.111 9.111 8.865 0.246 18723
1082 1 15 . 1 1 15 15 ILE N N 15 123.850 123.850 124.539 -0.689 18723
1083 1 15 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.602 -0.193 18723
1084 1 15 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.922 0.436 18723
1085 1 15 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.733 -1.272 18723
1086 1 15 . 1 1 15 15 ILE H H 15 8.782 8.782 9.205 -0.423 18723
1087 1 15 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.433 0.165 18723
1088 1 15 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.587 -2.116 18723
1089 1 15 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.103 19.718 18723
1090 1 15 . 1 1 16 16 CYS H H 16 9.138 9.138 8.861 0.277 18723
1091 1 15 . 1 1 17 17 THR N N 17 118.568 118.568 121.482 -2.914 18723
1092 1 15 . 1 1 17 17 THR HA H 17 4.486 4.486 4.792 -0.306 18723
1093 1 15 . 1 1 17 17 THR CA C 17 61.120 61.120 61.832 -0.712 18723
1094 1 15 . 1 1 17 17 THR CB C 17 70.385 70.385 71.527 -1.142 18723
1095 1 15 . 1 1 17 17 THR H H 17 8.804 8.804 9.220 -0.416 18723
1096 1 16 . 1 1 2 2 PHE N N 2 121.029 121.029 122.174 -1.145 18723
1097 1 16 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.904 -0.006 18723
1098 1 16 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.462 0.402 18723
1099 1 16 . 1 1 2 2 PHE CB C 2 40.850 40.850 41.816 -0.966 18723
1100 1 16 . 1 1 2 2 PHE H H 2 7.953 7.953 7.910 0.043 18723
1101 1 16 . 1 1 3 3 CYS N N 3 125.277 125.277 125.977 -0.700 18723
1102 1 16 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.252 0.122 18723
1103 1 16 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.443 -2.028 18723
1104 1 16 . 1 1 3 3 CYS CB C 3 47.259 47.259 29.820 17.439 18723
1105 1 16 . 1 1 3 3 CYS H H 3 8.741 8.741 8.297 0.444 18723
1106 1 16 . 1 1 4 4 ARG N N 4 122.866 122.866 123.409 -0.543 18723
1107 1 16 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.536 0.070 18723
1108 1 16 . 1 1 4 4 ARG CA C 4 55.042 55.042 53.406 1.636 18723
1109 1 16 . 1 1 4 4 ARG CB C 4 32.493 32.493 31.307 1.186 18723
1110 1 16 . 1 1 4 4 ARG H H 4 8.626 8.626 8.966 -0.340 18723
1111 1 16 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.972 0.517 18723
1112 1 16 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.358 -2.999 18723
1113 1 16 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.650 20.385 18723
1114 1 16 . 1 1 5 5 CYS H H 5 9.070 9.070 8.775 0.295 18723
1115 1 16 . 1 1 6 6 LEU N N 6 123.254 123.254 126.716 -3.462 18723
1116 1 16 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.863 -0.145 18723
1117 1 16 . 1 1 6 6 LEU CA C 6 54.396 54.396 54.220 0.176 18723
1118 1 16 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.797 -1.337 18723
1119 1 16 . 1 1 6 6 LEU H H 6 8.696 8.696 9.106 -0.410 18723
1120 1 16 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.396 0.175 18723
1121 1 16 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.450 -2.013 18723
1122 1 16 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.893 19.142 18723
1123 1 16 . 1 1 7 7 CYS H H 7 9.111 9.111 8.481 0.630 18723
1124 1 16 . 1 1 8 8 ARG N N 8 123.295 123.295 123.307 -0.012 18723
1125 1 16 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.533 -0.011 18723
1126 1 16 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.965 -0.310 18723
1127 1 16 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.374 0.095 18723
1128 1 16 . 1 1 8 8 ARG H H 8 8.686 8.686 9.198 -0.512 18723
1129 1 16 . 1 1 9 9 ARG N N 9 125.074 125.074 125.627 -0.553 18723
1130 1 16 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.023 -0.098 18723
1131 1 16 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.833 0.216 18723
1132 1 16 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.139 -0.008 18723
1133 1 16 . 1 1 9 9 ARG H H 9 9.570 9.570 9.281 0.289 18723
1134 1 16 . 1 1 10 10 GLY N N 10 104.449 104.449 103.905 0.544 18723
1135 1 16 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.784 0.534 18723
1136 1 16 . 1 1 10 10 GLY H H 10 8.682 8.682 8.370 0.312 18723
1137 1 16 . 1 1 11 11 VAL N N 11 121.730 121.730 123.345 -1.615 18723
1138 1 16 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.067 0.234 18723
1139 1 16 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.298 -0.532 18723
1140 1 16 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.107 1.402 18723
1141 1 16 . 1 1 11 11 VAL H H 11 7.807 7.807 7.605 0.202 18723
1142 1 16 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.090 0.377 18723
1143 1 16 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.238 -2.936 18723
1144 1 16 . 1 1 12 12 CYS CB C 12 48.215 48.215 26.733 21.482 18723
1145 1 16 . 1 1 12 12 CYS H H 12 9.082 9.082 8.959 0.123 18723
1146 1 16 . 1 1 13 13 ARG N N 13 123.309 123.309 125.366 -2.057 18723
1147 1 16 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.773 -0.082 18723
1148 1 16 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.401 -0.342 18723
1149 1 16 . 1 1 13 13 ARG CB C 13 27.946 27.946 34.639 -6.694 18723
1150 1 16 . 1 1 13 13 ARG H H 13 8.676 8.676 9.326 -0.650 18723
1151 1 16 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.069 0.459 18723
1152 1 16 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.011 -2.405 18723
1153 1 16 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.406 19.813 18723
1154 1 16 . 1 1 14 14 CYS H H 14 9.111 9.111 8.821 0.290 18723
1155 1 16 . 1 1 15 15 ILE N N 15 123.850 123.850 125.862 -2.012 18723
1156 1 16 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.301 0.108 18723
1157 1 16 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.387 0.971 18723
1158 1 16 . 1 1 15 15 ILE CB C 15 40.460 40.460 37.196 3.264 18723
1159 1 16 . 1 1 15 15 ILE H H 15 8.782 8.782 9.146 -0.364 18723
1160 1 16 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.441 0.157 18723
1161 1 16 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.828 -2.357 18723
1162 1 16 . 1 1 16 16 CYS CB C 16 47.821 47.821 27.727 20.094 18723
1163 1 16 . 1 1 16 16 CYS H H 16 9.138 9.138 9.011 0.127 18723
1164 1 16 . 1 1 17 17 THR N N 17 118.568 118.568 119.265 -0.697 18723
1165 1 16 . 1 1 17 17 THR HA H 17 4.486 4.486 4.636 -0.150 18723
1166 1 16 . 1 1 17 17 THR CA C 17 61.120 61.120 61.148 -0.028 18723
1167 1 16 . 1 1 17 17 THR CB C 17 70.385 70.385 70.623 -0.238 18723
1168 1 16 . 1 1 17 17 THR H H 17 8.804 8.804 9.246 -0.442 18723
1169 1 17 . 1 1 2 2 PHE N N 2 121.029 121.029 122.291 -1.262 18723
1170 1 17 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.884 0.014 18723
1171 1 17 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.633 0.231 18723
1172 1 17 . 1 1 2 2 PHE CB C 2 40.850 40.850 41.595 -0.745 18723
1173 1 17 . 1 1 2 2 PHE H H 2 7.953 7.953 7.762 0.191 18723
1174 1 17 . 1 1 3 3 CYS N N 3 125.277 125.277 127.026 -1.749 18723
1175 1 17 . 1 1 3 3 CYS HA H 3 5.374 5.374 4.939 0.435 18723
1176 1 17 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.909 -2.494 18723
1177 1 17 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.602 19.657 18723
1178 1 17 . 1 1 3 3 CYS H H 3 8.741 8.741 8.434 0.307 18723
1179 1 17 . 1 1 4 4 ARG N N 4 122.866 122.866 124.438 -1.572 18723
1180 1 17 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.646 -0.040 18723
1181 1 17 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.634 0.408 18723
1182 1 17 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.206 -0.713 18723
1183 1 17 . 1 1 4 4 ARG H H 4 8.626 8.626 9.109 -0.483 18723
1184 1 17 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.147 0.342 18723
1185 1 17 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.464 -3.105 18723
1186 1 17 . 1 1 5 5 CYS CB C 5 48.035 48.035 28.124 19.911 18723
1187 1 17 . 1 1 5 5 CYS H H 5 9.070 9.070 8.724 0.346 18723
1188 1 17 . 1 1 6 6 LEU N N 6 123.254 123.254 127.173 -3.919 18723
1189 1 17 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.913 -0.195 18723
1190 1 17 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.462 0.934 18723
1191 1 17 . 1 1 6 6 LEU CB C 6 44.460 44.460 44.814 -0.354 18723
1192 1 17 . 1 1 6 6 LEU H H 6 8.696 8.696 9.304 -0.608 18723
1193 1 17 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.151 0.420 18723
1194 1 17 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.127 -2.689 18723
1195 1 17 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.360 19.675 18723
1196 1 17 . 1 1 7 7 CYS H H 7 9.111 9.111 8.877 0.234 18723
1197 1 17 . 1 1 8 8 ARG N N 8 123.295 123.295 124.042 -0.747 18723
1198 1 17 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.558 -0.036 18723
1199 1 17 . 1 1 8 8 ARG CA C 8 55.655 55.655 54.866 0.789 18723
1200 1 17 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.386 0.083 18723
1201 1 17 . 1 1 8 8 ARG H H 8 8.686 8.686 9.228 -0.542 18723
1202 1 17 . 1 1 9 9 ARG N N 9 125.074 125.074 125.712 -0.638 18723
1203 1 17 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.008 -0.083 18723
1204 1 17 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.695 0.354 18723
1205 1 17 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.383 -0.251 18723
1206 1 17 . 1 1 9 9 ARG H H 9 9.570 9.570 9.232 0.338 18723
1207 1 17 . 1 1 10 10 GLY N N 10 104.449 104.449 102.928 1.521 18723
1208 1 17 . 1 1 10 10 GLY CA C 10 45.318 45.318 45.166 0.152 18723
1209 1 17 . 1 1 10 10 GLY H H 10 8.682 8.682 8.222 0.460 18723
1210 1 17 . 1 1 11 11 VAL N N 11 121.730 121.730 121.342 0.388 18723
1211 1 17 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.359 -0.058 18723
1212 1 17 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.314 0.452 18723
1213 1 17 . 1 1 11 11 VAL CB C 11 33.509 33.509 33.745 -0.236 18723
1214 1 17 . 1 1 11 11 VAL H H 11 7.807 7.807 7.547 0.260 18723
1215 1 17 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.051 0.416 18723
1216 1 17 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.633 -3.331 18723
1217 1 17 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.521 20.694 18723
1218 1 17 . 1 1 12 12 CYS H H 12 9.082 9.082 8.912 0.170 18723
1219 1 17 . 1 1 13 13 ARG N N 13 123.309 123.309 125.146 -1.837 18723
1220 1 17 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.762 -0.071 18723
1221 1 17 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.618 0.441 18723
1222 1 17 . 1 1 13 13 ARG CB C 13 27.946 27.946 32.948 -5.002 18723
1223 1 17 . 1 1 13 13 ARG H H 13 8.676 8.676 9.202 -0.526 18723
1224 1 17 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.363 0.165 18723
1225 1 17 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.331 -2.725 18723
1226 1 17 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.441 19.778 18723
1227 1 17 . 1 1 14 14 CYS H H 14 9.111 9.111 8.836 0.275 18723
1228 1 17 . 1 1 15 15 ILE N N 15 123.850 123.850 125.041 -1.191 18723
1229 1 17 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.478 -0.069 18723
1230 1 17 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.254 0.104 18723
1231 1 17 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.212 -1.752 18723
1232 1 17 . 1 1 15 15 ILE H H 15 8.782 8.782 9.315 -0.533 18723
1233 1 17 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.349 0.249 18723
1234 1 17 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.925 -2.454 18723
1235 1 17 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.385 19.436 18723
1236 1 17 . 1 1 16 16 CYS H H 16 9.138 9.138 8.947 0.191 18723
1237 1 17 . 1 1 17 17 THR N N 17 118.568 118.568 120.093 -1.525 18723
1238 1 17 . 1 1 17 17 THR HA H 17 4.486 4.486 4.664 -0.178 18723
1239 1 17 . 1 1 17 17 THR CA C 17 61.120 61.120 61.783 -0.663 18723
1240 1 17 . 1 1 17 17 THR CB C 17 70.385 70.385 71.225 -0.840 18723
1241 1 17 . 1 1 17 17 THR H H 17 8.804 8.804 9.194 -0.390 18723
1242 1 18 . 1 1 2 2 PHE N N 2 121.029 121.029 122.617 -1.588 18723
1243 1 18 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.847 0.051 18723
1244 1 18 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.094 -0.230 18723
1245 1 18 . 1 1 2 2 PHE CB C 2 40.850 40.850 41.474 -0.624 18723
1246 1 18 . 1 1 2 2 PHE H H 2 7.953 7.953 7.797 0.156 18723
1247 1 18 . 1 1 3 3 CYS N N 3 125.277 125.277 126.626 -1.349 18723
1248 1 18 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.502 -0.128 18723
1249 1 18 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.304 -1.889 18723
1250 1 18 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.319 18.940 18723
1251 1 18 . 1 1 3 3 CYS H H 3 8.741 8.741 8.401 0.340 18723
1252 1 18 . 1 1 4 4 ARG N N 4 122.866 122.866 123.116 -0.250 18723
1253 1 18 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.779 -0.173 18723
1254 1 18 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.597 0.445 18723
1255 1 18 . 1 1 4 4 ARG CB C 4 32.493 32.493 34.100 -1.607 18723
1256 1 18 . 1 1 4 4 ARG H H 4 8.626 8.626 9.280 -0.654 18723
1257 1 18 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.032 0.457 18723
1258 1 18 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.214 -2.855 18723
1259 1 18 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.787 20.248 18723
1260 1 18 . 1 1 5 5 CYS H H 5 9.070 9.070 8.593 0.477 18723
1261 1 18 . 1 1 6 6 LEU N N 6 123.254 123.254 125.610 -2.356 18723
1262 1 18 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.825 -0.107 18723
1263 1 18 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.458 0.938 18723
1264 1 18 . 1 1 6 6 LEU CB C 6 44.460 44.460 46.245 -1.786 18723
1265 1 18 . 1 1 6 6 LEU H H 6 8.696 8.696 9.254 -0.558 18723
1266 1 18 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.059 0.512 18723
1267 1 18 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.161 -2.724 18723
1268 1 18 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.942 19.093 18723
1269 1 18 . 1 1 7 7 CYS H H 7 9.111 9.111 8.821 0.290 18723
1270 1 18 . 1 1 8 8 ARG N N 8 123.295 123.295 124.409 -1.114 18723
1271 1 18 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.552 -0.030 18723
1272 1 18 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.280 0.375 18723
1273 1 18 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.812 0.657 18723
1274 1 18 . 1 1 8 8 ARG H H 8 8.686 8.686 9.259 -0.573 18723
1275 1 18 . 1 1 9 9 ARG N N 9 125.074 125.074 126.687 -1.613 18723
1276 1 18 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.013 -0.088 18723
1277 1 18 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.793 0.256 18723
1278 1 18 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.180 -0.049 18723
1279 1 18 . 1 1 9 9 ARG H H 9 9.570 9.570 9.402 0.168 18723
1280 1 18 . 1 1 10 10 GLY N N 10 104.449 104.449 104.051 0.398 18723
1281 1 18 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.771 0.547 18723
1282 1 18 . 1 1 10 10 GLY H H 10 8.682 8.682 8.381 0.301 18723
1283 1 18 . 1 1 11 11 VAL N N 11 121.730 121.730 122.528 -0.798 18723
1284 1 18 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.241 0.060 18723
1285 1 18 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.489 0.277 18723
1286 1 18 . 1 1 11 11 VAL CB C 11 33.509 33.509 33.203 0.306 18723
1287 1 18 . 1 1 11 11 VAL H H 11 7.807 7.807 7.665 0.142 18723
1288 1 18 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.081 0.386 18723
1289 1 18 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.292 -2.990 18723
1290 1 18 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.067 21.148 18723
1291 1 18 . 1 1 12 12 CYS H H 12 9.082 9.082 9.009 0.073 18723
1292 1 18 . 1 1 13 13 ARG N N 13 123.309 123.309 125.023 -1.714 18723
1293 1 18 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.774 -0.083 18723
1294 1 18 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.386 -0.327 18723
1295 1 18 . 1 1 13 13 ARG CB C 13 27.946 27.946 34.155 -6.209 18723
1296 1 18 . 1 1 13 13 ARG H H 13 8.676 8.676 9.377 -0.701 18723
1297 1 18 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.244 0.284 18723
1298 1 18 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.652 -3.046 18723
1299 1 18 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.487 20.732 18723
1300 1 18 . 1 1 14 14 CYS H H 14 9.111 9.111 8.824 0.287 18723
1301 1 18 . 1 1 15 15 ILE N N 15 123.850 123.850 124.920 -1.070 18723
1302 1 18 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.583 -0.174 18723
1303 1 18 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.420 0.938 18723
1304 1 18 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.386 -1.926 18723
1305 1 18 . 1 1 15 15 ILE H H 15 8.782 8.782 9.299 -0.517 18723
1306 1 18 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.560 0.038 18723
1307 1 18 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.747 -2.276 18723
1308 1 18 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.239 19.582 18723
1309 1 18 . 1 1 16 16 CYS H H 16 9.138 9.138 8.896 0.242 18723
1310 1 18 . 1 1 17 17 THR N N 17 118.568 118.568 120.028 -1.460 18723
1311 1 18 . 1 1 17 17 THR HA H 17 4.486 4.486 4.636 -0.150 18723
1312 1 18 . 1 1 17 17 THR CA C 17 61.120 61.120 61.725 -0.605 18723
1313 1 18 . 1 1 17 17 THR CB C 17 70.385 70.385 71.417 -1.032 18723
1314 1 18 . 1 1 17 17 THR H H 17 8.804 8.804 9.255 -0.451 18723
1315 1 19 . 1 1 2 2 PHE N N 2 121.029 121.029 123.542 -2.513 18723
1316 1 19 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.783 0.115 18723
1317 1 19 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.464 -0.600 18723
1318 1 19 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.691 0.159 18723
1319 1 19 . 1 1 2 2 PHE H H 2 7.953 7.953 7.807 0.146 18723
1320 1 19 . 1 1 3 3 CYS N N 3 125.277 125.277 127.317 -2.040 18723
1321 1 19 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.392 -0.018 18723
1322 1 19 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.489 -2.074 18723
1323 1 19 . 1 1 3 3 CYS CB C 3 47.259 47.259 28.369 18.890 18723
1324 1 19 . 1 1 3 3 CYS H H 3 8.741 8.741 8.506 0.235 18723
1325 1 19 . 1 1 4 4 ARG N N 4 122.866 122.866 123.962 -1.096 18723
1326 1 19 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.661 -0.055 18723
1327 1 19 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.682 0.360 18723
1328 1 19 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.351 -0.858 18723
1329 1 19 . 1 1 4 4 ARG H H 4 8.626 8.626 9.190 -0.564 18723
1330 1 19 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.080 0.409 18723
1331 1 19 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.686 -3.327 18723
1332 1 19 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.339 20.696 18723
1333 1 19 . 1 1 5 5 CYS H H 5 9.070 9.070 8.757 0.313 18723
1334 1 19 . 1 1 6 6 LEU N N 6 123.254 123.254 126.359 -3.105 18723
1335 1 19 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.758 -0.040 18723
1336 1 19 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.854 0.542 18723
1337 1 19 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.485 -1.025 18723
1338 1 19 . 1 1 6 6 LEU H H 6 8.696 8.696 9.285 -0.589 18723
1339 1 19 . 1 1 7 7 CYS HA H 7 5.571 5.571 4.936 0.635 18723
1340 1 19 . 1 1 7 7 CYS CA C 7 55.437 55.437 58.542 -3.105 18723
1341 1 19 . 1 1 7 7 CYS CB C 7 48.035 48.035 27.614 20.421 18723
1342 1 19 . 1 1 7 7 CYS H H 7 9.111 9.111 8.838 0.273 18723
1343 1 19 . 1 1 8 8 ARG N N 8 123.295 123.295 125.251 -1.956 18723
1344 1 19 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.521 0.001 18723
1345 1 19 . 1 1 8 8 ARG CA C 8 55.655 55.655 54.592 1.063 18723
1346 1 19 . 1 1 8 8 ARG CB C 8 32.469 32.469 31.450 1.019 18723
1347 1 19 . 1 1 8 8 ARG H H 8 8.686 8.686 9.189 -0.503 18723
1348 1 19 . 1 1 9 9 ARG N N 9 125.074 125.074 127.060 -1.986 18723
1349 1 19 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.026 -0.101 18723
1350 1 19 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.736 0.313 18723
1351 1 19 . 1 1 9 9 ARG CB C 9 28.131 28.131 27.596 0.535 18723
1352 1 19 . 1 1 9 9 ARG H H 9 9.570 9.570 9.325 0.245 18723
1353 1 19 . 1 1 10 10 GLY N N 10 104.449 104.449 103.756 0.693 18723
1354 1 19 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.871 0.447 18723
1355 1 19 . 1 1 10 10 GLY H H 10 8.682 8.682 8.379 0.303 18723
1356 1 19 . 1 1 11 11 VAL N N 11 121.730 121.730 122.910 -1.180 18723
1357 1 19 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.334 -0.033 18723
1358 1 19 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.034 0.732 18723
1359 1 19 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.921 0.588 18723
1360 1 19 . 1 1 11 11 VAL H H 11 7.807 7.807 7.715 0.092 18723
1361 1 19 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.982 0.484 18723
1362 1 19 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.440 -3.138 18723
1363 1 19 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.528 20.687 18723
1364 1 19 . 1 1 12 12 CYS H H 12 9.082 9.082 8.903 0.179 18723
1365 1 19 . 1 1 13 13 ARG N N 13 123.309 123.309 124.093 -0.784 18723
1366 1 19 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.773 -0.082 18723
1367 1 19 . 1 1 13 13 ARG CA C 13 55.059 55.059 53.682 1.377 18723
1368 1 19 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.340 -5.394 18723
1369 1 19 . 1 1 13 13 ARG H H 13 8.676 8.676 9.328 -0.652 18723
1370 1 19 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.320 0.208 18723
1371 1 19 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.326 -2.720 18723
1372 1 19 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.751 19.468 18723
1373 1 19 . 1 1 14 14 CYS H H 14 9.111 9.111 8.799 0.312 18723
1374 1 19 . 1 1 15 15 ILE N N 15 123.850 123.850 125.271 -1.421 18723
1375 1 19 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.425 -0.016 18723
1376 1 19 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.450 -0.092 18723
1377 1 19 . 1 1 15 15 ILE CB C 15 40.460 40.460 40.897 -0.437 18723
1378 1 19 . 1 1 15 15 ILE H H 15 8.782 8.782 9.287 -0.505 18723
1379 1 19 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.465 0.133 18723
1380 1 19 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.813 -2.342 18723
1381 1 19 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.584 19.237 18723
1382 1 19 . 1 1 16 16 CYS H H 16 9.138 9.138 8.969 0.169 18723
1383 1 19 . 1 1 17 17 THR N N 17 118.568 118.568 120.246 -1.678 18723
1384 1 19 . 1 1 17 17 THR HA H 17 4.486 4.486 4.652 -0.166 18723
1385 1 19 . 1 1 17 17 THR CA C 17 61.120 61.120 61.719 -0.599 18723
1386 1 19 . 1 1 17 17 THR CB C 17 70.385 70.385 71.424 -1.039 18723
1387 1 19 . 1 1 17 17 THR H H 17 8.804 8.804 9.226 -0.422 18723
1388 1 20 . 1 1 2 2 PHE N N 2 121.029 121.029 123.836 -2.807 18723
1389 1 20 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.753 0.145 18723
1390 1 20 . 1 1 2 2 PHE CA C 2 56.864 56.864 57.234 -0.370 18723
1391 1 20 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.073 0.777 18723
1392 1 20 . 1 1 2 2 PHE H H 2 7.953 7.953 7.787 0.166 18723
1393 1 20 . 1 1 3 3 CYS N N 3 125.277 125.277 128.427 -3.150 18723
1394 1 20 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.303 0.071 18723
1395 1 20 . 1 1 3 3 CYS CA C 3 55.415 55.415 58.041 -2.626 18723
1396 1 20 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.169 20.090 18723
1397 1 20 . 1 1 3 3 CYS H H 3 8.741 8.741 8.619 0.122 18723
1398 1 20 . 1 1 4 4 ARG N N 4 122.866 122.866 125.572 -2.706 18723
1399 1 20 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.706 -0.100 18723
1400 1 20 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.363 0.679 18723
1401 1 20 . 1 1 4 4 ARG CB C 4 32.493 32.493 33.685 -1.192 18723
1402 1 20 . 1 1 4 4 ARG H H 4 8.626 8.626 9.217 -0.591 18723
1403 1 20 . 1 1 5 5 CYS HA H 5 5.489 5.489 4.922 0.567 18723
1404 1 20 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.799 -3.440 18723
1405 1 20 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.097 20.938 18723
1406 1 20 . 1 1 5 5 CYS H H 5 9.070 9.070 8.852 0.218 18723
1407 1 20 . 1 1 6 6 LEU N N 6 123.254 123.254 126.848 -3.594 18723
1408 1 20 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.756 -0.038 18723
1409 1 20 . 1 1 6 6 LEU CA C 6 54.396 54.396 54.044 0.352 18723
1410 1 20 . 1 1 6 6 LEU CB C 6 44.460 44.460 46.067 -1.607 18723
1411 1 20 . 1 1 6 6 LEU H H 6 8.696 8.696 8.940 -0.244 18723
1412 1 20 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.458 0.113 18723
1413 1 20 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.763 -2.326 18723
1414 1 20 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.113 19.922 18723
1415 1 20 . 1 1 7 7 CYS H H 7 9.111 9.111 8.867 0.244 18723
1416 1 20 . 1 1 8 8 ARG N N 8 123.295 123.295 124.187 -0.892 18723
1417 1 20 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.537 -0.015 18723
1418 1 20 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.972 -0.317 18723
1419 1 20 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.583 -0.114 18723
1420 1 20 . 1 1 8 8 ARG H H 8 8.686 8.686 9.183 -0.497 18723
1421 1 20 . 1 1 9 9 ARG N N 9 125.074 125.074 125.661 -0.587 18723
1422 1 20 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.038 -0.113 18723
1423 1 20 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.851 0.198 18723
1424 1 20 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.286 -0.155 18723
1425 1 20 . 1 1 9 9 ARG H H 9 9.570 9.570 9.300 0.270 18723
1426 1 20 . 1 1 10 10 GLY N N 10 104.449 104.449 103.537 0.912 18723
1427 1 20 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.875 0.443 18723
1428 1 20 . 1 1 10 10 GLY H H 10 8.682 8.682 8.416 0.266 18723
1429 1 20 . 1 1 11 11 VAL N N 11 121.730 121.730 122.873 -1.143 18723
1430 1 20 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.231 0.070 18723
1431 1 20 . 1 1 11 11 VAL CA C 11 61.766 61.766 62.240 -0.474 18723
1432 1 20 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.202 1.307 18723
1433 1 20 . 1 1 11 11 VAL H H 11 7.807 7.807 7.572 0.235 18723
1434 1 20 . 1 1 12 12 CYS HA H 12 5.467 5.467 4.978 0.489 18723
1435 1 20 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.243 -2.941 18723
1436 1 20 . 1 1 12 12 CYS CB C 12 48.215 48.215 26.890 21.325 18723
1437 1 20 . 1 1 12 12 CYS H H 12 9.082 9.082 9.022 0.060 18723
1438 1 20 . 1 1 13 13 ARG N N 13 123.309 123.309 125.783 -2.474 18723
1439 1 20 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.725 -0.034 18723
1440 1 20 . 1 1 13 13 ARG CA C 13 55.059 55.059 55.754 -0.695 18723
1441 1 20 . 1 1 13 13 ARG CB C 13 27.946 27.946 34.002 -6.056 18723
1442 1 20 . 1 1 13 13 ARG H H 13 8.676 8.676 9.048 -0.372 18723
1443 1 20 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.348 0.180 18723
1444 1 20 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.574 -2.968 18723
1445 1 20 . 1 1 14 14 CYS CB C 14 48.219 48.219 27.245 20.974 18723
1446 1 20 . 1 1 14 14 CYS H H 14 9.111 9.111 8.851 0.261 18723
1447 1 20 . 1 1 15 15 ILE N N 15 123.850 123.850 124.413 -0.563 18723
1448 1 20 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.641 -0.232 18723
1449 1 20 . 1 1 15 15 ILE CA C 15 60.358 60.358 60.316 0.042 18723
1450 1 20 . 1 1 15 15 ILE CB C 15 40.460 40.460 42.672 -2.212 18723
1451 1 20 . 1 1 15 15 ILE H H 15 8.782 8.782 9.276 -0.494 18723
1452 1 20 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.647 -0.049 18723
1453 1 20 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.716 -2.245 18723
1454 1 20 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.297 19.524 18723
1455 1 20 . 1 1 16 16 CYS H H 16 9.138 9.138 8.811 0.327 18723
1456 1 20 . 1 1 17 17 THR N N 17 118.568 118.568 120.149 -1.581 18723
1457 1 20 . 1 1 17 17 THR HA H 17 4.486 4.486 4.648 -0.162 18723
1458 1 20 . 1 1 17 17 THR CA C 17 61.120 61.120 61.911 -0.791 18723
1459 1 20 . 1 1 17 17 THR CB C 17 70.385 70.385 71.493 -1.108 18723
1460 1 20 . 1 1 17 17 THR H H 17 8.804 8.804 9.177 -0.373 18723
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 11 1.634 1.279 1.067 18723
2 1 1 "Average Difference" HA 17 0.278 -0.117 0.260 18723
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18723
4 1 1 "Average Difference" CA 16 1.692 0.915 1.471 18723
5 1 1 "Average Difference" CB 15 12.647 -7.348 10.655 18723
6 1 1 "Average Difference" HN 16 0.370 0.023 0.381 18723
7 1 2 "Average Difference" N 11 2.117 1.672 1.361 18723
8 1 2 "Average Difference" HA 17 0.317 -0.163 0.280 18723
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18723
10 1 2 "Average Difference" CA 16 1.729 0.750 1.609 18723
11 1 2 "Average Difference" CB 15 13.028 -7.829 10.779 18723
12 1 2 "Average Difference" HN 16 0.359 -0.024 0.369 18723
13 1 3 "Average Difference" N 11 1.507 1.154 1.016 18723
14 1 3 "Average Difference" HA 17 0.244 -0.090 0.234 18723
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18723
16 1 3 "Average Difference" CA 16 1.620 0.709 1.505 18723
17 1 3 "Average Difference" CB 15 12.544 -7.417 10.472 18723
18 1 3 "Average Difference" HN 16 0.323 0.017 0.334 18723
19 1 4 "Average Difference" N 11 1.836 1.463 1.163 18723
20 1 4 "Average Difference" HA 17 0.302 -0.162 0.263 18723
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18723
22 1 4 "Average Difference" CA 16 1.748 0.867 1.567 18723
23 1 4 "Average Difference" CB 15 12.804 -7.585 10.678 18723
24 1 4 "Average Difference" HN 16 0.329 0.019 0.340 18723
25 1 5 "Average Difference" N 11 2.158 1.719 1.368 18723
26 1 5 "Average Difference" HA 17 0.302 -0.170 0.258 18723
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18723
28 1 5 "Average Difference" CA 16 1.639 0.873 1.433 18723
29 1 5 "Average Difference" CB 15 12.882 -7.905 10.528 18723
30 1 5 "Average Difference" HN 16 0.336 0.035 0.345 18723
31 1 6 "Average Difference" N 11 2.014 1.577 1.314 18723
32 1 6 "Average Difference" HA 17 0.272 -0.106 0.259 18723
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18723
34 1 6 "Average Difference" CA 16 1.686 0.910 1.466 18723
35 1 6 "Average Difference" CB 15 12.605 -7.500 10.487 18723
36 1 6 "Average Difference" HN 16 0.346 0.058 0.353 18723
37 1 7 "Average Difference" N 11 1.708 1.416 1.001 18723
38 1 7 "Average Difference" HA 17 0.289 -0.134 0.263 18723
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18723
40 1 7 "Average Difference" CA 16 1.713 0.780 1.576 18723
41 1 7 "Average Difference" CB 15 12.658 -7.479 10.570 18723
42 1 7 "Average Difference" HN 16 0.421 0.013 0.435 18723
43 1 8 "Average Difference" N 11 1.862 1.409 1.276 18723
44 1 8 "Average Difference" HA 17 0.250 -0.098 0.237 18723
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18723
46 1 8 "Average Difference" CA 16 1.642 0.798 1.482 18723
47 1 8 "Average Difference" CB 15 12.640 -7.237 10.727 18723
48 1 8 "Average Difference" HN 16 0.400 -0.015 0.413 18723
49 1 9 "Average Difference" N 11 1.780 1.138 1.435 18723
50 1 9 "Average Difference" HA 17 0.284 -0.133 0.258 18723
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18723
52 1 9 "Average Difference" CA 16 1.673 0.734 1.552 18723
53 1 9 "Average Difference" CB 15 12.634 -7.490 10.531 18723
54 1 9 "Average Difference" HN 16 0.355 0.001 0.367 18723
55 1 10 "Average Difference" N 11 1.420 1.120 0.915 18723
56 1 10 "Average Difference" HA 17 0.269 -0.095 0.260 18723
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18723
58 1 10 "Average Difference" CA 16 1.639 0.804 1.475 18723
59 1 10 "Average Difference" CB 15 12.428 -7.301 10.410 18723
60 1 10 "Average Difference" HN 16 0.388 0.061 0.396 18723
61 1 11 "Average Difference" N 11 2.137 1.794 1.218 18723
62 1 11 "Average Difference" HA 17 0.358 -0.181 0.318 18723
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18723
64 1 11 "Average Difference" CA 16 1.784 0.768 1.663 18723
65 1 11 "Average Difference" CB 15 12.838 -7.612 10.701 18723
66 1 11 "Average Difference" HN 16 0.359 0.013 0.371 18723
67 1 12 "Average Difference" N 11 1.942 1.464 1.338 18723
68 1 12 "Average Difference" HA 17 0.287 -0.156 0.248 18723
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18723
70 1 12 "Average Difference" CA 16 1.585 0.911 1.340 18723
71 1 12 "Average Difference" CB 15 12.718 -7.927 10.294 18723
72 1 12 "Average Difference" HN 16 0.378 -0.010 0.390 18723
73 1 13 "Average Difference" N 11 1.446 1.224 0.807 18723
74 1 13 "Average Difference" HA 17 0.271 -0.145 0.236 18723
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18723
76 1 13 "Average Difference" CA 16 1.551 0.924 1.287 18723
77 1 13 "Average Difference" CB 15 12.687 -7.333 10.717 18723
78 1 13 "Average Difference" HN 16 0.378 0.013 0.390 18723
79 1 14 "Average Difference" N 11 1.724 1.201 1.297 18723
80 1 14 "Average Difference" HA 17 0.253 -0.063 0.253 18723
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18723
82 1 14 "Average Difference" CA 16 1.659 0.878 1.454 18723
83 1 14 "Average Difference" CB 15 12.418 -7.376 10.340 18723
84 1 14 "Average Difference" HN 16 0.363 0.041 0.372 18723
85 1 15 "Average Difference" N 11 1.795 1.214 1.387 18723
86 1 15 "Average Difference" HA 17 0.259 -0.101 0.246 18723
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18723
88 1 15 "Average Difference" CA 16 1.663 0.872 1.462 18723
89 1 15 "Average Difference" CB 15 12.920 -7.612 10.806 18723
90 1 15 "Average Difference" HN 16 0.381 -0.009 0.393 18723
91 1 16 "Average Difference" N 11 1.539 1.114 1.114 18723
92 1 16 "Average Difference" HA 17 0.266 -0.141 0.233 18723
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18723
94 1 16 "Average Difference" CA 16 1.616 0.751 1.477 18723
95 1 16 "Average Difference" CB 15 12.664 -7.671 10.430 18723
96 1 16 "Average Difference" HN 16 0.381 -0.002 0.393 18723
97 1 17 "Average Difference" N 11 1.733 1.139 1.369 18723
98 1 17 "Average Difference" HA 17 0.264 -0.113 0.246 18723
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18723
100 1 17 "Average Difference" CA 16 1.774 0.850 1.608 18723
101 1 17 "Average Difference" CB 15 12.642 -7.289 10.691 18723
102 1 17 "Average Difference" HN 16 0.391 0.019 0.404 18723
103 1 18 "Average Difference" N 11 1.375 1.174 0.751 18723
104 1 18 "Average Difference" HA 17 0.264 -0.086 0.257 18723
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18723
106 1 18 "Average Difference" CA 16 1.688 0.823 1.522 18723
107 1 18 "Average Difference" CB 15 12.764 -7.165 10.934 18723
108 1 18 "Average Difference" HN 16 0.416 0.061 0.425 18723
109 1 19 "Average Difference" N 11 1.819 1.551 0.997 18723
110 1 19 "Average Difference" HA 17 0.275 -0.124 0.254 18723
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18723
112 1 19 "Average Difference" CA 16 1.816 0.823 1.672 18723
113 1 19 "Average Difference" CB 15 12.683 -7.530 10.565 18723
114 1 19 "Average Difference" HN 16 0.383 0.061 0.390 18723
115 1 20 "Average Difference" N 11 2.137 1.690 1.373 18723
116 1 20 "Average Difference" HA 17 0.252 -0.087 0.244 18723
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18723
118 1 20 "Average Difference" CA 16 1.751 1.092 1.413 18723
119 1 20 "Average Difference" CB 15 13.074 -7.494 11.089 18723
120 1 20 "Average Difference" HN 16 0.326 0.025 0.336 18723
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 18723
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 PHE N N 2 121.029 121.029 123.386 -2.357 18723
2 1 . 1 1 2 2 PHE HA H 2 4.898 4.898 4.821 0.077 18723
3 1 . 1 1 2 2 PHE CA C 2 56.864 56.864 56.852 0.012 18723
4 1 . 1 1 2 2 PHE CB C 2 40.850 40.850 40.627 0.223 18723
5 1 . 1 1 2 2 PHE H H 2 7.953 7.953 7.861 0.092 18723
6 1 . 1 1 3 3 CYS N N 3 125.277 125.277 127.564 -2.287 18723
7 1 . 1 1 3 3 CYS HA H 3 5.374 5.374 5.152 0.222 18723
8 1 . 1 1 3 3 CYS CA C 3 55.415 55.415 57.636 -2.221 18723
9 1 . 1 1 3 3 CYS CB C 3 47.259 47.259 27.865 19.394 18723
10 1 . 1 1 3 3 CYS H H 3 8.741 8.741 8.543 0.198 18723
11 1 . 1 1 4 4 ARG N N 4 122.866 122.866 124.033 -1.167 18723
12 1 . 1 1 4 4 ARG HA H 4 4.606 4.606 4.615 -0.009 18723
13 1 . 1 1 4 4 ARG CA C 4 55.042 55.042 54.390 0.652 18723
14 1 . 1 1 4 4 ARG CB C 4 32.493 32.493 32.859 -0.365 18723
15 1 . 1 1 4 4 ARG H H 4 8.626 8.626 9.086 -0.460 18723
16 1 . 1 1 5 5 CYS HA H 5 5.489 5.489 5.075 0.414 18723
17 1 . 1 1 5 5 CYS CA C 5 55.359 55.359 58.223 -2.864 18723
18 1 . 1 1 5 5 CYS CB C 5 48.035 48.035 27.703 20.332 18723
19 1 . 1 1 5 5 CYS H H 5 9.070 9.070 8.736 0.334 18723
20 1 . 1 1 6 6 LEU N N 6 123.254 123.254 125.250 -1.996 18723
21 1 . 1 1 6 6 LEU HA H 6 4.718 4.718 4.866 -0.148 18723
22 1 . 1 1 6 6 LEU CA C 6 54.396 54.396 53.817 0.579 18723
23 1 . 1 1 6 6 LEU CB C 6 44.460 44.460 45.238 -0.778 18723
24 1 . 1 1 6 6 LEU H H 6 8.696 8.696 9.165 -0.470 18723
25 1 . 1 1 7 7 CYS HA H 7 5.571 5.571 5.212 0.359 18723
26 1 . 1 1 7 7 CYS CA C 7 55.437 55.437 57.966 -2.529 18723
27 1 . 1 1 7 7 CYS CB C 7 48.035 48.035 28.393 19.642 18723
28 1 . 1 1 7 7 CYS H H 7 9.111 9.111 8.737 0.374 18723
29 1 . 1 1 8 8 ARG N N 8 123.295 123.295 124.314 -1.018 18723
30 1 . 1 1 8 8 ARG HA H 8 4.522 4.522 4.536 -0.014 18723
31 1 . 1 1 8 8 ARG CA C 8 55.655 55.655 55.389 0.266 18723
32 1 . 1 1 8 8 ARG CB C 8 32.469 32.469 32.095 0.374 18723
33 1 . 1 1 8 8 ARG H H 8 8.686 8.686 9.189 -0.503 18723
34 1 . 1 1 9 9 ARG N N 9 125.074 125.074 126.193 -1.119 18723
35 1 . 1 1 9 9 ARG HA H 9 3.925 3.925 4.028 -0.103 18723
36 1 . 1 1 9 9 ARG CA C 9 57.049 57.049 56.820 0.229 18723
37 1 . 1 1 9 9 ARG CB C 9 28.131 28.131 28.302 -0.171 18723
38 1 . 1 1 9 9 ARG H H 9 9.570 9.570 9.306 0.264 18723
39 1 . 1 1 10 10 GLY N N 10 104.449 104.449 103.788 0.661 18723
40 1 . 1 1 10 10 GLY CA C 10 45.318 45.318 44.873 0.445 18723
41 1 . 1 1 10 10 GLY H H 10 8.682 8.682 8.303 0.379 18723
42 1 . 1 1 11 11 VAL N N 11 121.730 121.730 122.843 -1.113 18723
43 1 . 1 1 11 11 VAL HA H 11 4.301 4.301 4.236 0.065 18723
44 1 . 1 1 11 11 VAL CA C 11 61.766 61.766 61.766 -0.000 18723
45 1 . 1 1 11 11 VAL CB C 11 33.509 33.509 32.611 0.898 18723
46 1 . 1 1 11 11 VAL H H 11 7.807 7.807 7.652 0.155 18723
47 1 . 1 1 12 12 CYS HA H 12 5.467 5.467 5.009 0.458 18723
48 1 . 1 1 12 12 CYS CA C 12 55.302 55.302 58.341 -3.039 18723
49 1 . 1 1 12 12 CYS CB C 12 48.215 48.215 27.422 20.793 18723
50 1 . 1 1 12 12 CYS H H 12 9.082 9.082 8.938 0.144 18723
51 1 . 1 1 13 13 ARG N N 13 123.309 123.309 125.076 -1.767 18723
52 1 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.760 -0.069 18723
53 1 . 1 1 13 13 ARG CA C 13 55.059 55.059 54.852 0.207 18723
54 1 . 1 1 13 13 ARG CB C 13 27.946 27.946 33.413 -5.467 18723
55 1 . 1 1 13 13 ARG H H 13 8.676 8.676 9.206 -0.530 18723
56 1 . 1 1 14 14 CYS HA H 14 5.528 5.528 5.209 0.319 18723
57 1 . 1 1 14 14 CYS CA C 14 55.606 55.606 58.396 -2.790 18723
58 1 . 1 1 14 14 CYS CB C 14 48.219 48.219 28.175 20.044 18723
59 1 . 1 1 14 14 CYS H H 14 9.111 9.111 8.812 0.299 18723
60 1 . 1 1 15 15 ILE N N 15 123.850 123.850 124.963 -1.112 18723
61 1 . 1 1 15 15 ILE HA H 15 4.409 4.409 4.504 -0.095 18723
62 1 . 1 1 15 15 ILE CA C 15 60.358 60.358 59.865 0.493 18723
63 1 . 1 1 15 15 ILE CB C 15 40.460 40.460 41.413 -0.953 18723
64 1 . 1 1 15 15 ILE H H 15 8.782 8.782 9.238 -0.456 18723
65 1 . 1 1 16 16 CYS HA H 16 5.598 5.598 5.430 0.168 18723
66 1 . 1 1 16 16 CYS CA C 16 55.471 55.471 57.751 -2.280 18723
67 1 . 1 1 16 16 CYS CB C 16 47.821 47.821 28.481 19.340 18723
68 1 . 1 1 16 16 CYS H H 16 9.138 9.138 8.890 0.248 18723
69 1 . 1 1 17 17 THR N N 17 118.568 118.568 120.424 -1.856 18723
70 1 . 1 1 17 17 THR HA H 17 4.486 4.486 4.667 -0.181 18723
71 1 . 1 1 17 17 THR CA C 17 61.120 61.120 61.746 -0.626 18723
72 1 . 1 1 17 17 THR CB C 17 70.385 70.385 71.116 -0.731 18723
73 1 . 1 1 17 17 THR H H 17 8.804 8.804 9.195 -0.391 18723
stop_
save_