data_18722
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18722
_Entry.PDB_ID 2LYE
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 18722
_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 VAL N N 2 121.870 121.870 123.175 -1.305 18722
2 1 1 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.280 0.003 18722
3 1 1 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.267 -0.408 18722
4 1 1 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.407 0.944 18722
5 1 1 . 1 1 2 2 VAL H H 2 7.814 7.814 7.633 0.181 18722
6 1 1 . 1 1 3 3 CYS N N 3 126.480 126.480 127.607 -1.127 18722
7 1 1 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.337 0.117 18722
8 1 1 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.892 -2.538 18722
9 1 1 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.604 19.445 18722
10 1 1 . 1 1 3 3 CYS H H 3 9.114 9.114 9.031 0.083 18722
11 1 1 . 1 1 4 4 ARG N N 4 123.800 123.800 124.159 -0.359 18722
12 1 1 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.851 -0.160 18722
13 1 1 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.538 0.512 18722
14 1 1 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.034 0.262 18722
15 1 1 . 1 1 4 4 ARG H H 4 8.733 8.733 9.116 -0.383 18722
16 1 1 . 1 1 5 5 CYS N N 5 124.240 124.240 121.970 2.270 18722
17 1 1 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.280 0.286 18722
18 1 1 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.947 -2.391 18722
19 1 1 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.543 20.024 18722
20 1 1 . 1 1 5 5 CYS H H 5 9.180 9.180 8.850 0.330 18722
21 1 1 . 1 1 6 6 VAL N N 6 123.340 123.340 126.482 -3.142 18722
22 1 1 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.358 -0.034 18722
23 1 1 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.230 0.580 18722
24 1 1 . 1 1 6 6 VAL CB C 6 34.339 34.339 32.845 1.494 18722
25 1 1 . 1 1 6 6 VAL H H 6 8.703 8.703 9.184 -0.481 18722
26 1 1 . 1 1 7 7 CYS N N 7 127.520 127.520 127.409 0.111 18722
27 1 1 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.440 0.157 18722
28 1 1 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.834 -2.548 18722
29 1 1 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.174 20.027 18722
30 1 1 . 1 1 7 7 CYS H H 7 9.150 9.150 9.008 0.142 18722
31 1 1 . 1 1 8 8 ARG N N 8 123.350 123.350 123.601 -0.251 18722
32 1 1 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.611 -0.088 18722
33 1 1 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.411 0.097 18722
34 1 1 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.549 0.166 18722
35 1 1 . 1 1 8 8 ARG H H 8 8.696 8.696 9.209 -0.513 18722
36 1 1 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.029 -0.109 18722
37 1 1 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.258 0.725 18722
38 1 1 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.371 -0.275 18722
39 1 1 . 1 1 9 9 ARG H H 9 9.600 9.600 9.179 0.421 18722
40 1 1 . 1 1 10 10 GLY N N 10 104.380 104.380 103.270 1.110 18722
41 1 1 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.941 0.316 18722
42 1 1 . 1 1 10 10 GLY H H 10 8.693 8.693 8.189 0.504 18722
43 1 1 . 1 1 11 11 VAL N N 11 121.870 121.870 122.609 -0.739 18722
44 1 1 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.262 0.021 18722
45 1 1 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.448 0.412 18722
46 1 1 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.254 1.097 18722
47 1 1 . 1 1 11 11 VAL H H 11 7.814 7.814 7.766 0.048 18722
48 1 1 . 1 1 12 12 CYS N N 12 126.480 126.480 127.503 -1.023 18722
49 1 1 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.191 0.263 18722
50 1 1 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.940 -2.586 18722
51 1 1 . 1 1 12 12 CYS CB C 12 47.049 47.049 28.363 18.686 18722
52 1 1 . 1 1 12 12 CYS H H 12 9.114 9.114 9.010 0.104 18722
53 1 1 . 1 1 13 13 ARG N N 13 123.800 123.800 124.676 -0.876 18722
54 1 1 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.689 0.002 18722
55 1 1 . 1 1 13 13 ARG CA C 13 55.050 55.050 53.442 1.608 18722
56 1 1 . 1 1 13 13 ARG CB C 13 32.296 32.296 29.828 2.468 18722
57 1 1 . 1 1 13 13 ARG H H 13 8.733 8.733 9.214 -0.481 18722
58 1 1 . 1 1 14 14 CYS N N 14 124.240 124.240 123.846 0.394 18722
59 1 1 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.501 0.065 18722
60 1 1 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.052 -2.496 18722
61 1 1 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.438 20.129 18722
62 1 1 . 1 1 14 14 CYS H H 14 9.180 9.180 8.874 0.306 18722
63 1 1 . 1 1 15 15 VAL N N 15 123.340 123.340 126.099 -2.759 18722
64 1 1 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.399 -0.075 18722
65 1 1 . 1 1 15 15 VAL CA C 15 61.810 61.810 60.958 0.852 18722
66 1 1 . 1 1 15 15 VAL CB C 15 34.339 34.339 33.872 0.467 18722
67 1 1 . 1 1 15 15 VAL H H 15 8.703 8.703 9.303 -0.600 18722
68 1 1 . 1 1 16 16 CYS N N 16 127.520 127.520 127.283 0.237 18722
69 1 1 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.210 0.387 18722
70 1 1 . 1 1 16 16 CYS CA C 16 55.286 55.286 58.176 -2.890 18722
71 1 1 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.186 20.015 18722
72 1 1 . 1 1 16 16 CYS H H 16 9.150 9.150 8.926 0.224 18722
73 1 1 . 1 1 17 17 ARG N N 17 123.350 123.350 125.729 -2.379 18722
74 1 1 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.608 -0.085 18722
75 1 1 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.684 0.824 18722
76 1 1 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.461 0.254 18722
77 1 1 . 1 1 17 17 ARG H H 17 8.696 8.696 9.168 -0.472 18722
78 1 2 . 1 1 2 2 VAL N N 2 121.870 121.870 123.263 -1.393 18722
79 1 2 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.209 0.074 18722
80 1 2 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.254 -0.394 18722
81 1 2 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.044 1.307 18722
82 1 2 . 1 1 2 2 VAL H H 2 7.814 7.814 7.694 0.120 18722
83 1 2 . 1 1 3 3 CYS N N 3 126.480 126.480 127.291 -0.811 18722
84 1 2 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.318 0.136 18722
85 1 2 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.766 -2.412 18722
86 1 2 . 1 1 3 3 CYS CB C 3 47.049 47.049 28.471 18.578 18722
87 1 2 . 1 1 3 3 CYS H H 3 9.114 9.114 8.911 0.203 18722
88 1 2 . 1 1 4 4 ARG N N 4 123.800 123.800 122.690 1.110 18722
89 1 2 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.843 -0.152 18722
90 1 2 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.774 0.276 18722
91 1 2 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.033 0.263 18722
92 1 2 . 1 1 4 4 ARG H H 4 8.733 8.733 9.103 -0.370 18722
93 1 2 . 1 1 5 5 CYS N N 5 124.240 124.240 122.891 1.349 18722
94 1 2 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.225 0.341 18722
95 1 2 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.241 -2.685 18722
96 1 2 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.132 20.435 18722
97 1 2 . 1 1 5 5 CYS H H 5 9.180 9.180 8.816 0.364 18722
98 1 2 . 1 1 6 6 VAL N N 6 123.340 123.340 124.558 -1.218 18722
99 1 2 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.419 -0.095 18722
100 1 2 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.476 0.334 18722
101 1 2 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.545 -1.206 18722
102 1 2 . 1 1 6 6 VAL H H 6 8.703 8.703 9.102 -0.399 18722
103 1 2 . 1 1 7 7 CYS N N 7 127.520 127.520 126.213 1.307 18722
104 1 2 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.230 0.367 18722
105 1 2 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.839 -2.553 18722
106 1 2 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.426 19.775 18722
107 1 2 . 1 1 7 7 CYS H H 7 9.150 9.150 8.844 0.306 18722
108 1 2 . 1 1 8 8 ARG N N 8 123.350 123.350 124.953 -1.603 18722
109 1 2 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.533 -0.010 18722
110 1 2 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.833 -0.325 18722
111 1 2 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.572 0.143 18722
112 1 2 . 1 1 8 8 ARG H H 8 8.696 8.696 9.161 -0.465 18722
113 1 2 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.023 -0.103 18722
114 1 2 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.963 0.020 18722
115 1 2 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.640 -0.544 18722
116 1 2 . 1 1 9 9 ARG H H 9 9.600 9.600 9.376 0.224 18722
117 1 2 . 1 1 10 10 GLY N N 10 104.380 104.380 105.236 -0.856 18722
118 1 2 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.892 0.365 18722
119 1 2 . 1 1 10 10 GLY H H 10 8.693 8.693 8.521 0.172 18722
120 1 2 . 1 1 11 11 VAL N N 11 121.870 121.870 123.235 -1.365 18722
121 1 2 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.288 -0.005 18722
122 1 2 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.263 0.597 18722
123 1 2 . 1 1 11 11 VAL CB C 11 33.351 33.351 31.662 1.689 18722
124 1 2 . 1 1 11 11 VAL H H 11 7.814 7.814 7.710 0.104 18722
125 1 2 . 1 1 12 12 CYS N N 12 126.480 126.480 127.758 -1.278 18722
126 1 2 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.251 0.203 18722
127 1 2 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.171 -2.817 18722
128 1 2 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.977 19.072 18722
129 1 2 . 1 1 12 12 CYS H H 12 9.114 9.114 9.042 0.072 18722
130 1 2 . 1 1 13 13 ARG N N 13 123.800 123.800 125.586 -1.786 18722
131 1 2 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.745 -0.054 18722
132 1 2 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.510 0.540 18722
133 1 2 . 1 1 13 13 ARG CB C 13 32.296 32.296 32.173 0.123 18722
134 1 2 . 1 1 13 13 ARG H H 13 8.733 8.733 9.212 -0.479 18722
135 1 2 . 1 1 14 14 CYS N N 14 124.240 124.240 125.425 -1.185 18722
136 1 2 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.166 0.400 18722
137 1 2 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.170 -2.614 18722
138 1 2 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.796 20.771 18722
139 1 2 . 1 1 14 14 CYS H H 14 9.180 9.180 8.973 0.207 18722
140 1 2 . 1 1 15 15 VAL N N 15 123.340 123.340 126.637 -3.297 18722
141 1 2 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.351 -0.027 18722
142 1 2 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.281 0.529 18722
143 1 2 . 1 1 15 15 VAL CB C 15 34.339 34.339 32.589 1.750 18722
144 1 2 . 1 1 15 15 VAL H H 15 8.703 8.703 9.285 -0.582 18722
145 1 2 . 1 1 16 16 CYS N N 16 127.520 127.520 127.159 0.361 18722
146 1 2 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.081 0.516 18722
147 1 2 . 1 1 16 16 CYS CA C 16 55.286 55.286 58.012 -2.726 18722
148 1 2 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.934 19.267 18722
149 1 2 . 1 1 16 16 CYS H H 16 9.150 9.150 8.988 0.162 18722
150 1 2 . 1 1 17 17 ARG N N 17 123.350 123.350 125.219 -1.869 18722
151 1 2 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.609 -0.086 18722
152 1 2 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.505 0.003 18722
153 1 2 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.707 0.008 18722
154 1 2 . 1 1 17 17 ARG H H 17 8.696 8.696 9.011 -0.315 18722
155 1 3 . 1 1 2 2 VAL N N 2 121.870 121.870 122.755 -0.885 18722
156 1 3 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.352 -0.069 18722
157 1 3 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.240 0.620 18722
158 1 3 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.664 0.687 18722
159 1 3 . 1 1 2 2 VAL H H 2 7.814 7.814 7.701 0.113 18722
160 1 3 . 1 1 3 3 CYS N N 3 126.480 126.480 127.457 -0.977 18722
161 1 3 . 1 1 3 3 CYS HA H 3 5.454 5.454 4.913 0.541 18722
162 1 3 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.679 -3.325 18722
163 1 3 . 1 1 3 3 CYS CB C 3 47.049 47.049 26.864 20.185 18722
164 1 3 . 1 1 3 3 CYS H H 3 9.114 9.114 9.033 0.081 18722
165 1 3 . 1 1 4 4 ARG N N 4 123.800 123.800 125.889 -2.089 18722
166 1 3 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.777 -0.086 18722
167 1 3 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.195 0.855 18722
168 1 3 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.739 -0.443 18722
169 1 3 . 1 1 4 4 ARG H H 4 8.733 8.733 9.139 -0.406 18722
170 1 3 . 1 1 5 5 CYS N N 5 124.240 124.240 124.641 -0.401 18722
171 1 3 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.458 0.108 18722
172 1 3 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.407 -2.851 18722
173 1 3 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.987 20.580 18722
174 1 3 . 1 1 5 5 CYS H H 5 9.180 9.180 8.887 0.293 18722
175 1 3 . 1 1 6 6 VAL N N 6 123.340 123.340 124.232 -0.892 18722
176 1 3 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.542 -0.218 18722
177 1 3 . 1 1 6 6 VAL CA C 6 61.810 61.810 60.685 1.125 18722
178 1 3 . 1 1 6 6 VAL CB C 6 34.339 34.339 36.399 -2.060 18722
179 1 3 . 1 1 6 6 VAL H H 6 8.703 8.703 9.261 -0.557 18722
180 1 3 . 1 1 7 7 CYS N N 7 127.520 127.520 127.715 -0.195 18722
181 1 3 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.440 0.157 18722
182 1 3 . 1 1 7 7 CYS CA C 7 55.286 55.286 58.124 -2.838 18722
183 1 3 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.598 20.603 18722
184 1 3 . 1 1 7 7 CYS H H 7 9.150 9.150 8.760 0.390 18722
185 1 3 . 1 1 8 8 ARG N N 8 123.350 123.350 125.419 -2.069 18722
186 1 3 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.534 -0.011 18722
187 1 3 . 1 1 8 8 ARG CA C 8 55.508 55.508 54.895 0.613 18722
188 1 3 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.522 0.193 18722
189 1 3 . 1 1 8 8 ARG H H 8 8.696 8.696 9.254 -0.558 18722
190 1 3 . 1 1 9 9 ARG HA H 9 3.920 3.920 3.997 -0.077 18722
191 1 3 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.478 0.505 18722
192 1 3 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.547 -0.451 18722
193 1 3 . 1 1 9 9 ARG H H 9 9.600 9.600 9.132 0.468 18722
194 1 3 . 1 1 10 10 GLY N N 10 104.380 104.380 103.344 1.036 18722
195 1 3 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.835 0.422 18722
196 1 3 . 1 1 10 10 GLY H H 10 8.693 8.693 8.152 0.541 18722
197 1 3 . 1 1 11 11 VAL N N 11 121.870 121.870 122.080 -0.210 18722
198 1 3 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.186 0.097 18722
199 1 3 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.011 -0.151 18722
200 1 3 . 1 1 11 11 VAL CB C 11 33.351 33.351 33.299 0.052 18722
201 1 3 . 1 1 11 11 VAL H H 11 7.814 7.814 7.678 0.136 18722
202 1 3 . 1 1 12 12 CYS N N 12 126.480 126.480 125.964 0.516 18722
203 1 3 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.390 0.064 18722
204 1 3 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.835 -2.481 18722
205 1 3 . 1 1 12 12 CYS CB C 12 47.049 47.049 28.013 19.036 18722
206 1 3 . 1 1 12 12 CYS H H 12 9.114 9.114 8.838 0.276 18722
207 1 3 . 1 1 13 13 ARG N N 13 123.800 123.800 123.990 -0.190 18722
208 1 3 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.783 -0.092 18722
209 1 3 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.846 0.204 18722
210 1 3 . 1 1 13 13 ARG CB C 13 32.296 32.296 34.164 -1.868 18722
211 1 3 . 1 1 13 13 ARG H H 13 8.733 8.733 9.211 -0.478 18722
212 1 3 . 1 1 14 14 CYS N N 14 124.240 124.240 121.690 2.550 18722
213 1 3 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.350 0.216 18722
214 1 3 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.098 -2.542 18722
215 1 3 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.759 20.808 18722
216 1 3 . 1 1 14 14 CYS H H 14 9.180 9.180 8.753 0.427 18722
217 1 3 . 1 1 15 15 VAL N N 15 123.340 123.340 125.405 -2.065 18722
218 1 3 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.406 -0.082 18722
219 1 3 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.199 0.611 18722
220 1 3 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.441 -1.102 18722
221 1 3 . 1 1 15 15 VAL H H 15 8.703 8.703 9.216 -0.513 18722
222 1 3 . 1 1 16 16 CYS N N 16 127.520 127.520 127.181 0.339 18722
223 1 3 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.103 0.494 18722
224 1 3 . 1 1 16 16 CYS CA C 16 55.286 55.286 58.620 -3.334 18722
225 1 3 . 1 1 16 16 CYS CB C 16 48.201 48.201 26.928 21.273 18722
226 1 3 . 1 1 16 16 CYS H H 16 9.150 9.150 8.923 0.227 18722
227 1 3 . 1 1 17 17 ARG N N 17 123.350 123.350 125.927 -2.577 18722
228 1 3 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.629 -0.106 18722
229 1 3 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.430 1.078 18722
230 1 3 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.360 0.355 18722
231 1 3 . 1 1 17 17 ARG H H 17 8.696 8.696 9.159 -0.463 18722
232 1 4 . 1 1 2 2 VAL N N 2 121.870 121.870 123.064 -1.194 18722
233 1 4 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.240 0.043 18722
234 1 4 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.619 -0.759 18722
235 1 4 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.626 0.725 18722
236 1 4 . 1 1 2 2 VAL H H 2 7.814 7.814 7.855 -0.041 18722
237 1 4 . 1 1 3 3 CYS N N 3 126.480 126.480 127.128 -0.648 18722
238 1 4 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.263 0.191 18722
239 1 4 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.991 -2.637 18722
240 1 4 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.916 19.133 18722
241 1 4 . 1 1 3 3 CYS H H 3 9.114 9.114 8.966 0.148 18722
242 1 4 . 1 1 4 4 ARG N N 4 123.800 123.800 123.611 0.189 18722
243 1 4 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.871 -0.180 18722
244 1 4 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.460 0.590 18722
245 1 4 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.628 -0.332 18722
246 1 4 . 1 1 4 4 ARG H H 4 8.733 8.733 9.276 -0.543 18722
247 1 4 . 1 1 5 5 CYS N N 5 124.240 124.240 121.519 2.721 18722
248 1 4 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.373 0.193 18722
249 1 4 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.033 -2.478 18722
250 1 4 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.411 20.156 18722
251 1 4 . 1 1 5 5 CYS H H 5 9.180 9.180 8.780 0.400 18722
252 1 4 . 1 1 6 6 VAL N N 6 123.340 123.340 124.438 -1.098 18722
253 1 4 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.406 -0.082 18722
254 1 4 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.168 0.642 18722
255 1 4 . 1 1 6 6 VAL CB C 6 34.339 34.339 34.457 -0.118 18722
256 1 4 . 1 1 6 6 VAL H H 6 8.703 8.703 9.267 -0.564 18722
257 1 4 . 1 1 7 7 CYS N N 7 127.520 127.520 127.109 0.411 18722
258 1 4 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.119 0.478 18722
259 1 4 . 1 1 7 7 CYS CA C 7 55.286 55.286 58.165 -2.879 18722
260 1 4 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.197 21.004 18722
261 1 4 . 1 1 7 7 CYS H H 7 9.150 9.150 8.993 0.157 18722
262 1 4 . 1 1 8 8 ARG N N 8 123.350 123.350 125.910 -2.560 18722
263 1 4 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.482 0.041 18722
264 1 4 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.747 -0.239 18722
265 1 4 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.250 0.465 18722
266 1 4 . 1 1 8 8 ARG H H 8 8.696 8.696 9.168 -0.472 18722
267 1 4 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.042 -0.122 18722
268 1 4 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.377 0.606 18722
269 1 4 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.393 -0.297 18722
270 1 4 . 1 1 9 9 ARG H H 9 9.600 9.600 9.374 0.226 18722
271 1 4 . 1 1 10 10 GLY N N 10 104.380 104.380 104.317 0.063 18722
272 1 4 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.846 0.411 18722
273 1 4 . 1 1 10 10 GLY H H 10 8.693 8.693 8.392 0.301 18722
274 1 4 . 1 1 11 11 VAL N N 11 121.870 121.870 122.855 -0.985 18722
275 1 4 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.305 -0.022 18722
276 1 4 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.114 0.746 18722
277 1 4 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.279 1.072 18722
278 1 4 . 1 1 11 11 VAL H H 11 7.814 7.814 7.676 0.138 18722
279 1 4 . 1 1 12 12 CYS N N 12 126.480 126.480 127.645 -1.165 18722
280 1 4 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.188 0.266 18722
281 1 4 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.388 -3.034 18722
282 1 4 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.217 19.832 18722
283 1 4 . 1 1 12 12 CYS H H 12 9.114 9.114 9.002 0.112 18722
284 1 4 . 1 1 13 13 ARG N N 13 123.800 123.800 125.731 -1.931 18722
285 1 4 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.787 -0.096 18722
286 1 4 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.344 0.706 18722
287 1 4 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.289 -0.993 18722
288 1 4 . 1 1 13 13 ARG H H 13 8.733 8.733 9.250 -0.517 18722
289 1 4 . 1 1 14 14 CYS N N 14 124.240 124.240 123.102 1.138 18722
290 1 4 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.141 0.425 18722
291 1 4 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.336 -2.780 18722
292 1 4 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.113 20.453 18722
293 1 4 . 1 1 14 14 CYS H H 14 9.180 9.180 8.830 0.350 18722
294 1 4 . 1 1 15 15 VAL N N 15 123.340 123.340 125.249 -1.909 18722
295 1 4 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.457 -0.133 18722
296 1 4 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.309 0.500 18722
297 1 4 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.410 -1.071 18722
298 1 4 . 1 1 15 15 VAL H H 15 8.703 8.703 9.321 -0.618 18722
299 1 4 . 1 1 16 16 CYS N N 16 127.520 127.520 125.520 2.000 18722
300 1 4 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.633 -0.036 18722
301 1 4 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.529 -2.243 18722
302 1 4 . 1 1 16 16 CYS CB C 16 48.201 48.201 29.104 19.097 18722
303 1 4 . 1 1 16 16 CYS H H 16 9.150 9.150 8.928 0.222 18722
304 1 4 . 1 1 17 17 ARG N N 17 123.350 123.350 122.610 0.740 18722
305 1 4 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.696 -0.173 18722
306 1 4 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.410 0.098 18722
307 1 4 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.194 -0.479 18722
308 1 4 . 1 1 17 17 ARG H H 17 8.696 8.696 9.301 -0.605 18722
309 1 5 . 1 1 2 2 VAL N N 2 121.870 121.870 121.807 0.063 18722
310 1 5 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.414 -0.131 18722
311 1 5 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.346 0.514 18722
312 1 5 . 1 1 2 2 VAL CB C 2 33.351 33.351 33.985 -0.634 18722
313 1 5 . 1 1 2 2 VAL H H 2 7.814 7.814 7.871 -0.057 18722
314 1 5 . 1 1 3 3 CYS N N 3 126.480 126.480 127.192 -0.712 18722
315 1 5 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.288 0.166 18722
316 1 5 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.300 -2.946 18722
317 1 5 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.780 19.269 18722
318 1 5 . 1 1 3 3 CYS H H 3 9.114 9.114 8.990 0.124 18722
319 1 5 . 1 1 4 4 ARG N N 4 123.800 123.800 125.521 -1.721 18722
320 1 5 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.772 -0.081 18722
321 1 5 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.318 0.732 18722
322 1 5 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.675 -0.379 18722
323 1 5 . 1 1 4 4 ARG H H 4 8.733 8.733 9.139 -0.406 18722
324 1 5 . 1 1 5 5 CYS N N 5 124.240 124.240 125.150 -0.910 18722
325 1 5 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.589 -0.023 18722
326 1 5 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.219 -2.663 18722
327 1 5 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.451 20.116 18722
328 1 5 . 1 1 5 5 CYS H H 5 9.180 9.180 8.921 0.259 18722
329 1 5 . 1 1 6 6 VAL N N 6 123.340 123.340 125.895 -2.555 18722
330 1 5 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.375 -0.051 18722
331 1 5 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.317 0.493 18722
332 1 5 . 1 1 6 6 VAL CB C 6 34.339 34.339 34.419 -0.080 18722
333 1 5 . 1 1 6 6 VAL H H 6 8.703 8.703 9.224 -0.521 18722
334 1 5 . 1 1 7 7 CYS N N 7 127.520 127.520 127.367 0.153 18722
335 1 5 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.295 0.302 18722
336 1 5 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.831 -2.545 18722
337 1 5 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.815 20.386 18722
338 1 5 . 1 1 7 7 CYS H H 7 9.150 9.150 8.960 0.190 18722
339 1 5 . 1 1 8 8 ARG N N 8 123.350 123.350 125.784 -2.434 18722
340 1 5 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.493 0.030 18722
341 1 5 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.936 -0.428 18722
342 1 5 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.504 0.211 18722
343 1 5 . 1 1 8 8 ARG H H 8 8.696 8.696 9.129 -0.433 18722
344 1 5 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.066 -0.146 18722
345 1 5 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.335 0.648 18722
346 1 5 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.298 -0.202 18722
347 1 5 . 1 1 9 9 ARG H H 9 9.600 9.600 9.290 0.310 18722
348 1 5 . 1 1 10 10 GLY N N 10 104.380 104.380 103.986 0.394 18722
349 1 5 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.862 0.395 18722
350 1 5 . 1 1 10 10 GLY H H 10 8.693 8.693 8.467 0.226 18722
351 1 5 . 1 1 11 11 VAL N N 11 121.870 121.870 122.438 -0.568 18722
352 1 5 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.170 0.113 18722
353 1 5 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.805 0.055 18722
354 1 5 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.442 0.909 18722
355 1 5 . 1 1 11 11 VAL H H 11 7.814 7.814 7.558 0.256 18722
356 1 5 . 1 1 12 12 CYS N N 12 126.480 126.480 128.154 -1.674 18722
357 1 5 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.216 0.238 18722
358 1 5 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.962 -2.608 18722
359 1 5 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.503 19.546 18722
360 1 5 . 1 1 12 12 CYS H H 12 9.114 9.114 9.030 0.084 18722
361 1 5 . 1 1 13 13 ARG N N 13 123.800 123.800 124.965 -1.165 18722
362 1 5 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.681 0.010 18722
363 1 5 . 1 1 13 13 ARG CA C 13 55.050 55.050 53.728 1.322 18722
364 1 5 . 1 1 13 13 ARG CB C 13 32.296 32.296 30.509 1.787 18722
365 1 5 . 1 1 13 13 ARG H H 13 8.733 8.733 9.158 -0.425 18722
366 1 5 . 1 1 14 14 CYS N N 14 124.240 124.240 123.830 0.410 18722
367 1 5 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.429 0.137 18722
368 1 5 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.125 -2.569 18722
369 1 5 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.432 20.135 18722
370 1 5 . 1 1 14 14 CYS H H 14 9.180 9.180 8.901 0.279 18722
371 1 5 . 1 1 15 15 VAL N N 15 123.340 123.340 126.144 -2.804 18722
372 1 5 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.398 -0.074 18722
373 1 5 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.325 0.485 18722
374 1 5 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.295 -0.956 18722
375 1 5 . 1 1 15 15 VAL H H 15 8.703 8.703 9.157 -0.454 18722
376 1 5 . 1 1 16 16 CYS N N 16 127.520 127.520 128.065 -0.545 18722
377 1 5 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.382 0.215 18722
378 1 5 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.884 -2.598 18722
379 1 5 . 1 1 16 16 CYS CB C 16 48.201 48.201 27.654 20.547 18722
380 1 5 . 1 1 16 16 CYS H H 16 9.150 9.150 8.941 0.209 18722
381 1 5 . 1 1 17 17 ARG N N 17 123.350 123.350 123.964 -0.614 18722
382 1 5 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.619 -0.096 18722
383 1 5 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.174 0.334 18722
384 1 5 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.997 -0.282 18722
385 1 5 . 1 1 17 17 ARG H H 17 8.696 8.696 9.158 -0.462 18722
386 1 6 . 1 1 2 2 VAL N N 2 121.870 121.870 122.569 -0.699 18722
387 1 6 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.390 -0.107 18722
388 1 6 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.520 0.340 18722
389 1 6 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.865 0.486 18722
390 1 6 . 1 1 2 2 VAL H H 2 7.814 7.814 7.580 0.234 18722
391 1 6 . 1 1 3 3 CYS N N 3 126.480 126.480 127.797 -1.317 18722
392 1 6 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.366 0.088 18722
393 1 6 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.073 -2.719 18722
394 1 6 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.676 19.373 18722
395 1 6 . 1 1 3 3 CYS H H 3 9.114 9.114 9.079 0.035 18722
396 1 6 . 1 1 4 4 ARG N N 4 123.800 123.800 125.492 -1.692 18722
397 1 6 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.787 -0.096 18722
398 1 6 . 1 1 4 4 ARG CA C 4 55.050 55.050 55.154 -0.104 18722
399 1 6 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.714 -0.418 18722
400 1 6 . 1 1 4 4 ARG H H 4 8.733 8.733 9.229 -0.496 18722
401 1 6 . 1 1 5 5 CYS N N 5 124.240 124.240 125.400 -1.160 18722
402 1 6 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.460 0.106 18722
403 1 6 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.601 -2.045 18722
404 1 6 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.535 20.032 18722
405 1 6 . 1 1 5 5 CYS H H 5 9.180 9.180 8.810 0.370 18722
406 1 6 . 1 1 6 6 VAL N N 6 123.340 123.340 123.694 -0.354 18722
407 1 6 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.549 -0.225 18722
408 1 6 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.008 0.802 18722
409 1 6 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.155 -0.816 18722
410 1 6 . 1 1 6 6 VAL H H 6 8.703 8.703 9.110 -0.407 18722
411 1 6 . 1 1 7 7 CYS N N 7 127.520 127.520 126.644 0.876 18722
412 1 6 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.468 0.129 18722
413 1 6 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.305 -2.019 18722
414 1 6 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.134 20.067 18722
415 1 6 . 1 1 7 7 CYS H H 7 9.150 9.150 8.534 0.616 18722
416 1 6 . 1 1 8 8 ARG N N 8 123.350 123.350 124.679 -1.329 18722
417 1 6 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.525 -0.002 18722
418 1 6 . 1 1 8 8 ARG CA C 8 55.508 55.508 56.008 -0.500 18722
419 1 6 . 1 1 8 8 ARG CB C 8 32.715 32.715 33.050 -0.335 18722
420 1 6 . 1 1 8 8 ARG H H 8 8.696 8.696 9.196 -0.500 18722
421 1 6 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.049 -0.129 18722
422 1 6 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.551 0.432 18722
423 1 6 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.605 -0.509 18722
424 1 6 . 1 1 9 9 ARG H H 9 9.600 9.600 9.149 0.451 18722
425 1 6 . 1 1 10 10 GLY N N 10 104.380 104.380 103.172 1.208 18722
426 1 6 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.895 0.362 18722
427 1 6 . 1 1 10 10 GLY H H 10 8.693 8.693 8.180 0.513 18722
428 1 6 . 1 1 11 11 VAL N N 11 121.870 121.870 122.318 -0.448 18722
429 1 6 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.183 0.100 18722
430 1 6 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.898 -0.038 18722
431 1 6 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.825 0.526 18722
432 1 6 . 1 1 11 11 VAL H H 11 7.814 7.814 7.736 0.078 18722
433 1 6 . 1 1 12 12 CYS N N 12 126.480 126.480 127.097 -0.617 18722
434 1 6 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.331 0.123 18722
435 1 6 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.057 -2.703 18722
436 1 6 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.314 19.735 18722
437 1 6 . 1 1 12 12 CYS H H 12 9.114 9.114 9.015 0.099 18722
438 1 6 . 1 1 13 13 ARG N N 13 123.800 123.800 125.037 -1.237 18722
439 1 6 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.817 -0.126 18722
440 1 6 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.975 0.075 18722
441 1 6 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.799 -1.503 18722
442 1 6 . 1 1 13 13 ARG H H 13 8.733 8.733 9.155 -0.422 18722
443 1 6 . 1 1 14 14 CYS N N 14 124.240 124.240 123.602 0.638 18722
444 1 6 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.134 0.432 18722
445 1 6 . 1 1 14 14 CYS CA C 14 55.556 55.556 57.939 -2.383 18722
446 1 6 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.498 20.069 18722
447 1 6 . 1 1 14 14 CYS H H 14 9.180 9.180 8.834 0.346 18722
448 1 6 . 1 1 15 15 VAL N N 15 123.340 123.340 125.942 -2.602 18722
449 1 6 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.330 -0.006 18722
450 1 6 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.334 0.476 18722
451 1 6 . 1 1 15 15 VAL CB C 15 34.339 34.339 32.520 1.819 18722
452 1 6 . 1 1 15 15 VAL H H 15 8.703 8.703 9.246 -0.543 18722
453 1 6 . 1 1 16 16 CYS N N 16 127.520 127.520 127.383 0.137 18722
454 1 6 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.290 0.307 18722
455 1 6 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.991 -2.705 18722
456 1 6 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.722 19.479 18722
457 1 6 . 1 1 16 16 CYS H H 16 9.150 9.150 9.008 0.142 18722
458 1 6 . 1 1 17 17 ARG N N 17 123.350 123.350 126.039 -2.689 18722
459 1 6 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.576 -0.053 18722
460 1 6 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.524 -0.016 18722
461 1 6 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.551 0.164 18722
462 1 6 . 1 1 17 17 ARG H H 17 8.696 8.696 9.204 -0.508 18722
463 1 7 . 1 1 2 2 VAL N N 2 121.870 121.870 122.814 -0.944 18722
464 1 7 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.298 -0.015 18722
465 1 7 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.694 0.166 18722
466 1 7 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.827 0.524 18722
467 1 7 . 1 1 2 2 VAL H H 2 7.814 7.814 7.621 0.193 18722
468 1 7 . 1 1 3 3 CYS N N 3 126.480 126.480 127.678 -1.198 18722
469 1 7 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.215 0.239 18722
470 1 7 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.024 -2.670 18722
471 1 7 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.118 19.931 18722
472 1 7 . 1 1 3 3 CYS H H 3 9.114 9.114 9.067 0.047 18722
473 1 7 . 1 1 4 4 ARG N N 4 123.800 123.800 125.854 -2.054 18722
474 1 7 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.739 -0.048 18722
475 1 7 . 1 1 4 4 ARG CA C 4 55.050 55.050 55.185 -0.135 18722
476 1 7 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.124 0.172 18722
477 1 7 . 1 1 4 4 ARG H H 4 8.733 8.733 9.224 -0.491 18722
478 1 7 . 1 1 5 5 CYS N N 5 124.240 124.240 126.479 -2.239 18722
479 1 7 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.642 -0.076 18722
480 1 7 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.605 -2.050 18722
481 1 7 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.155 20.412 18722
482 1 7 . 1 1 5 5 CYS H H 5 9.180 9.180 8.807 0.373 18722
483 1 7 . 1 1 6 6 VAL N N 6 123.340 123.340 124.428 -1.088 18722
484 1 7 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.598 -0.274 18722
485 1 7 . 1 1 6 6 VAL CA C 6 61.810 61.810 60.607 1.203 18722
486 1 7 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.480 -1.141 18722
487 1 7 . 1 1 6 6 VAL H H 6 8.703 8.703 9.270 -0.567 18722
488 1 7 . 1 1 7 7 CYS N N 7 127.520 127.520 126.568 0.952 18722
489 1 7 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.269 0.328 18722
490 1 7 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.491 -2.205 18722
491 1 7 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.984 20.217 18722
492 1 7 . 1 1 7 7 CYS H H 7 9.150 9.150 8.615 0.535 18722
493 1 7 . 1 1 8 8 ARG N N 8 123.350 123.350 124.489 -1.139 18722
494 1 7 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.522 0.001 18722
495 1 7 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.966 -0.458 18722
496 1 7 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.757 -0.042 18722
497 1 7 . 1 1 8 8 ARG H H 8 8.696 8.696 9.143 -0.447 18722
498 1 7 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.054 -0.134 18722
499 1 7 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.910 0.074 18722
500 1 7 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.845 -0.749 18722
501 1 7 . 1 1 9 9 ARG H H 9 9.600 9.600 9.330 0.270 18722
502 1 7 . 1 1 10 10 GLY N N 10 104.380 104.380 103.902 0.478 18722
503 1 7 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.929 0.328 18722
504 1 7 . 1 1 10 10 GLY H H 10 8.693 8.693 8.405 0.288 18722
505 1 7 . 1 1 11 11 VAL N N 11 121.870 121.870 123.336 -1.466 18722
506 1 7 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.241 0.042 18722
507 1 7 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.123 -0.263 18722
508 1 7 . 1 1 11 11 VAL CB C 11 33.351 33.351 31.819 1.532 18722
509 1 7 . 1 1 11 11 VAL H H 11 7.814 7.814 7.560 0.254 18722
510 1 7 . 1 1 12 12 CYS N N 12 126.480 126.480 128.034 -1.554 18722
511 1 7 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.172 0.282 18722
512 1 7 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.125 -2.771 18722
513 1 7 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.151 19.898 18722
514 1 7 . 1 1 12 12 CYS H H 12 9.114 9.114 8.957 0.157 18722
515 1 7 . 1 1 13 13 ARG N N 13 123.800 123.800 124.642 -0.842 18722
516 1 7 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.790 -0.099 18722
517 1 7 . 1 1 13 13 ARG CA C 13 55.050 55.050 55.405 -0.355 18722
518 1 7 . 1 1 13 13 ARG CB C 13 32.296 32.296 34.362 -2.066 18722
519 1 7 . 1 1 13 13 ARG H H 13 8.733 8.733 9.227 -0.494 18722
520 1 7 . 1 1 14 14 CYS N N 14 124.240 124.240 123.101 1.139 18722
521 1 7 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.534 0.032 18722
522 1 7 . 1 1 14 14 CYS CA C 14 55.556 55.556 57.801 -2.245 18722
523 1 7 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.888 19.679 18722
524 1 7 . 1 1 14 14 CYS H H 14 9.180 9.180 8.790 0.390 18722
525 1 7 . 1 1 15 15 VAL N N 15 123.340 123.340 125.586 -2.246 18722
526 1 7 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.375 -0.051 18722
527 1 7 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.313 0.497 18722
528 1 7 . 1 1 15 15 VAL CB C 15 34.339 34.339 34.153 0.186 18722
529 1 7 . 1 1 15 15 VAL H H 15 8.703 8.703 9.237 -0.534 18722
530 1 7 . 1 1 16 16 CYS N N 16 127.520 127.520 127.982 -0.462 18722
531 1 7 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.272 0.325 18722
532 1 7 . 1 1 16 16 CYS CA C 16 55.286 55.286 58.239 -2.953 18722
533 1 7 . 1 1 16 16 CYS CB C 16 48.201 48.201 27.775 20.426 18722
534 1 7 . 1 1 16 16 CYS H H 16 9.150 9.150 8.962 0.188 18722
535 1 7 . 1 1 17 17 ARG N N 17 123.350 123.350 126.158 -2.808 18722
536 1 7 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.612 -0.089 18722
537 1 7 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.437 1.071 18722
538 1 7 . 1 1 17 17 ARG CB C 17 32.715 32.715 31.984 0.731 18722
539 1 7 . 1 1 17 17 ARG H H 17 8.696 8.696 9.150 -0.454 18722
540 1 8 . 1 1 2 2 VAL N N 2 121.870 121.870 123.057 -1.187 18722
541 1 8 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.291 -0.008 18722
542 1 8 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.080 -0.220 18722
543 1 8 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.114 1.237 18722
544 1 8 . 1 1 2 2 VAL H H 2 7.814 7.814 7.653 0.161 18722
545 1 8 . 1 1 3 3 CYS N N 3 126.480 126.480 128.378 -1.898 18722
546 1 8 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.224 0.230 18722
547 1 8 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.144 -2.790 18722
548 1 8 . 1 1 3 3 CYS CB C 3 47.049 47.049 26.729 20.320 18722
549 1 8 . 1 1 3 3 CYS H H 3 9.114 9.114 9.002 0.112 18722
550 1 8 . 1 1 4 4 ARG N N 4 123.800 123.800 125.678 -1.878 18722
551 1 8 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.793 -0.102 18722
552 1 8 . 1 1 4 4 ARG CA C 4 55.050 55.050 55.209 -0.159 18722
553 1 8 . 1 1 4 4 ARG CB C 4 32.296 32.296 34.555 -2.259 18722
554 1 8 . 1 1 4 4 ARG H H 4 8.733 8.733 9.195 -0.462 18722
555 1 8 . 1 1 5 5 CYS N N 5 124.240 124.240 123.923 0.317 18722
556 1 8 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.348 0.218 18722
557 1 8 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.110 -2.554 18722
558 1 8 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.518 21.049 18722
559 1 8 . 1 1 5 5 CYS H H 5 9.180 9.180 8.752 0.428 18722
560 1 8 . 1 1 6 6 VAL N N 6 123.340 123.340 124.621 -1.281 18722
561 1 8 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.441 -0.117 18722
562 1 8 . 1 1 6 6 VAL CA C 6 61.810 61.810 60.893 0.917 18722
563 1 8 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.691 -1.352 18722
564 1 8 . 1 1 6 6 VAL H H 6 8.703 8.703 9.322 -0.619 18722
565 1 8 . 1 1 7 7 CYS N N 7 127.520 127.520 125.557 1.963 18722
566 1 8 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.289 0.308 18722
567 1 8 . 1 1 7 7 CYS CA C 7 55.286 55.286 58.026 -2.740 18722
568 1 8 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.108 20.093 18722
569 1 8 . 1 1 7 7 CYS H H 7 9.150 9.150 8.825 0.325 18722
570 1 8 . 1 1 8 8 ARG N N 8 123.350 123.350 125.720 -2.370 18722
571 1 8 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.505 0.018 18722
572 1 8 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.657 -0.149 18722
573 1 8 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.605 0.111 18722
574 1 8 . 1 1 8 8 ARG H H 8 8.696 8.696 9.151 -0.455 18722
575 1 8 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.056 -0.136 18722
576 1 8 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.444 0.539 18722
577 1 8 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.400 -0.304 18722
578 1 8 . 1 1 9 9 ARG H H 9 9.600 9.600 9.338 0.262 18722
579 1 8 . 1 1 10 10 GLY N N 10 104.380 104.380 104.196 0.184 18722
580 1 8 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.898 0.359 18722
581 1 8 . 1 1 10 10 GLY H H 10 8.693 8.693 8.444 0.249 18722
582 1 8 . 1 1 11 11 VAL N N 11 121.870 121.870 122.474 -0.604 18722
583 1 8 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.184 0.099 18722
584 1 8 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.662 0.198 18722
585 1 8 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.554 0.797 18722
586 1 8 . 1 1 11 11 VAL H H 11 7.814 7.814 7.620 0.194 18722
587 1 8 . 1 1 12 12 CYS N N 12 126.480 126.480 127.714 -1.234 18722
588 1 8 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.326 0.128 18722
589 1 8 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.085 -2.731 18722
590 1 8 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.491 20.558 18722
591 1 8 . 1 1 12 12 CYS H H 12 9.114 9.114 9.022 0.092 18722
592 1 8 . 1 1 13 13 ARG N N 13 123.800 123.800 125.603 -1.803 18722
593 1 8 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.804 -0.113 18722
594 1 8 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.986 0.064 18722
595 1 8 . 1 1 13 13 ARG CB C 13 32.296 32.296 34.371 -2.075 18722
596 1 8 . 1 1 13 13 ARG H H 13 8.733 8.733 9.291 -0.558 18722
597 1 8 . 1 1 14 14 CYS N N 14 124.240 124.240 123.878 0.362 18722
598 1 8 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.027 0.539 18722
599 1 8 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.315 -2.759 18722
600 1 8 . 1 1 14 14 CYS CB C 14 48.567 48.567 26.976 21.591 18722
601 1 8 . 1 1 14 14 CYS H H 14 9.180 9.180 8.882 0.298 18722
602 1 8 . 1 1 15 15 VAL N N 15 123.340 123.340 126.198 -2.858 18722
603 1 8 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.394 -0.070 18722
604 1 8 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.366 0.444 18722
605 1 8 . 1 1 15 15 VAL CB C 15 34.339 34.339 34.194 0.145 18722
606 1 8 . 1 1 15 15 VAL H H 15 8.703 8.703 9.222 -0.519 18722
607 1 8 . 1 1 16 16 CYS N N 16 127.520 127.520 127.210 0.310 18722
608 1 8 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.256 0.341 18722
609 1 8 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.851 -2.565 18722
610 1 8 . 1 1 16 16 CYS CB C 16 48.201 48.201 27.390 20.811 18722
611 1 8 . 1 1 16 16 CYS H H 16 9.150 9.150 8.983 0.167 18722
612 1 8 . 1 1 17 17 ARG N N 17 123.350 123.350 125.779 -2.429 18722
613 1 8 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.548 -0.025 18722
614 1 8 . 1 1 17 17 ARG CA C 17 55.508 55.508 56.149 -0.641 18722
615 1 8 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.427 -0.712 18722
616 1 8 . 1 1 17 17 ARG H H 17 8.696 8.696 9.078 -0.382 18722
617 1 9 . 1 1 2 2 VAL N N 2 121.870 121.870 123.368 -1.498 18722
618 1 9 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.131 0.152 18722
619 1 9 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.527 -0.667 18722
620 1 9 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.203 1.148 18722
621 1 9 . 1 1 2 2 VAL H H 2 7.814 7.814 7.739 0.075 18722
622 1 9 . 1 1 3 3 CYS N N 3 126.480 126.480 128.841 -2.361 18722
623 1 9 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.061 0.393 18722
624 1 9 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.878 -2.524 18722
625 1 9 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.310 19.739 18722
626 1 9 . 1 1 3 3 CYS H H 3 9.114 9.114 8.868 0.246 18722
627 1 9 . 1 1 4 4 ARG N N 4 123.800 123.800 124.012 -0.212 18722
628 1 9 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.760 -0.069 18722
629 1 9 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.036 1.014 18722
630 1 9 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.824 -0.528 18722
631 1 9 . 1 1 4 4 ARG H H 4 8.733 8.733 9.225 -0.492 18722
632 1 9 . 1 1 5 5 CYS N N 5 124.240 124.240 122.804 1.436 18722
633 1 9 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.214 0.352 18722
634 1 9 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.456 -1.900 18722
635 1 9 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.369 20.198 18722
636 1 9 . 1 1 5 5 CYS H H 5 9.180 9.180 8.712 0.468 18722
637 1 9 . 1 1 6 6 VAL N N 6 123.340 123.340 123.084 0.256 18722
638 1 9 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.513 -0.189 18722
639 1 9 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.207 0.603 18722
640 1 9 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.344 -1.005 18722
641 1 9 . 1 1 6 6 VAL H H 6 8.703 8.703 9.107 -0.404 18722
642 1 9 . 1 1 7 7 CYS N N 7 127.520 127.520 126.489 1.031 18722
643 1 9 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.233 0.364 18722
644 1 9 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.479 -2.193 18722
645 1 9 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.449 20.752 18722
646 1 9 . 1 1 7 7 CYS H H 7 9.150 9.150 8.557 0.593 18722
647 1 9 . 1 1 8 8 ARG N N 8 123.350 123.350 124.802 -1.452 18722
648 1 9 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.540 -0.017 18722
649 1 9 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.598 -0.090 18722
650 1 9 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.683 0.032 18722
651 1 9 . 1 1 8 8 ARG H H 8 8.696 8.696 9.127 -0.431 18722
652 1 9 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.047 -0.127 18722
653 1 9 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.710 0.273 18722
654 1 9 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.981 -0.885 18722
655 1 9 . 1 1 9 9 ARG H H 9 9.600 9.600 9.301 0.299 18722
656 1 9 . 1 1 10 10 GLY N N 10 104.380 104.380 103.729 0.651 18722
657 1 9 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.894 0.363 18722
658 1 9 . 1 1 10 10 GLY H H 10 8.693 8.693 8.218 0.475 18722
659 1 9 . 1 1 11 11 VAL N N 11 121.870 121.870 121.560 0.310 18722
660 1 9 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.263 0.020 18722
661 1 9 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.214 0.646 18722
662 1 9 . 1 1 11 11 VAL CB C 11 33.351 33.351 33.519 -0.168 18722
663 1 9 . 1 1 11 11 VAL H H 11 7.814 7.814 7.607 0.207 18722
664 1 9 . 1 1 12 12 CYS N N 12 126.480 126.480 127.917 -1.437 18722
665 1 9 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.143 0.311 18722
666 1 9 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.427 -3.073 18722
667 1 9 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.635 20.414 18722
668 1 9 . 1 1 12 12 CYS H H 12 9.114 9.114 9.004 0.110 18722
669 1 9 . 1 1 13 13 ARG N N 13 123.800 123.800 124.517 -0.717 18722
670 1 9 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.763 -0.072 18722
671 1 9 . 1 1 13 13 ARG CA C 13 55.050 55.050 53.451 1.599 18722
672 1 9 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.396 -1.100 18722
673 1 9 . 1 1 13 13 ARG H H 13 8.733 8.733 9.281 -0.548 18722
674 1 9 . 1 1 14 14 CYS N N 14 124.240 124.240 121.745 2.495 18722
675 1 9 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.025 0.541 18722
676 1 9 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.287 -2.731 18722
677 1 9 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.738 20.829 18722
678 1 9 . 1 1 14 14 CYS H H 14 9.180 9.180 8.749 0.431 18722
679 1 9 . 1 1 15 15 VAL N N 15 123.340 123.340 125.695 -2.355 18722
680 1 9 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.369 -0.045 18722
681 1 9 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.206 0.604 18722
682 1 9 . 1 1 15 15 VAL CB C 15 34.339 34.339 33.806 0.533 18722
683 1 9 . 1 1 15 15 VAL H H 15 8.703 8.703 9.143 -0.440 18722
684 1 9 . 1 1 16 16 CYS N N 16 127.520 127.520 126.432 1.088 18722
685 1 9 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.124 0.473 18722
686 1 9 . 1 1 16 16 CYS CA C 16 55.286 55.286 58.008 -2.722 18722
687 1 9 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.185 20.016 18722
688 1 9 . 1 1 16 16 CYS H H 16 9.150 9.150 8.906 0.244 18722
689 1 9 . 1 1 17 17 ARG N N 17 123.350 123.350 125.395 -2.045 18722
690 1 9 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.592 -0.069 18722
691 1 9 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.887 0.621 18722
692 1 9 . 1 1 17 17 ARG CB C 17 32.715 32.715 31.854 0.861 18722
693 1 9 . 1 1 17 17 ARG H H 17 8.696 8.696 9.131 -0.435 18722
694 1 10 . 1 1 2 2 VAL N N 2 121.870 121.870 123.506 -1.636 18722
695 1 10 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.211 0.072 18722
696 1 10 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.826 -0.966 18722
697 1 10 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.137 1.214 18722
698 1 10 . 1 1 2 2 VAL H H 2 7.814 7.814 7.697 0.117 18722
699 1 10 . 1 1 3 3 CYS N N 3 126.480 126.480 127.662 -1.182 18722
700 1 10 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.244 0.210 18722
701 1 10 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.997 -2.643 18722
702 1 10 . 1 1 3 3 CYS CB C 3 47.049 47.049 28.572 18.477 18722
703 1 10 . 1 1 3 3 CYS H H 3 9.114 9.114 8.993 0.121 18722
704 1 10 . 1 1 4 4 ARG N N 4 123.800 123.800 124.184 -0.384 18722
705 1 10 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.762 -0.071 18722
706 1 10 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.864 0.186 18722
707 1 10 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.756 -0.460 18722
708 1 10 . 1 1 4 4 ARG H H 4 8.733 8.733 9.077 -0.344 18722
709 1 10 . 1 1 5 5 CYS N N 5 124.240 124.240 123.647 0.593 18722
710 1 10 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.461 0.105 18722
711 1 10 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.481 -1.925 18722
712 1 10 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.402 20.165 18722
713 1 10 . 1 1 5 5 CYS H H 5 9.180 9.180 8.781 0.399 18722
714 1 10 . 1 1 6 6 VAL N N 6 123.340 123.340 123.742 -0.402 18722
715 1 10 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.426 -0.102 18722
716 1 10 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.351 0.459 18722
717 1 10 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.450 -1.111 18722
718 1 10 . 1 1 6 6 VAL H H 6 8.703 8.703 9.049 -0.346 18722
719 1 10 . 1 1 7 7 CYS N N 7 127.520 127.520 124.149 3.371 18722
720 1 10 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.336 0.261 18722
721 1 10 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.794 -2.508 18722
722 1 10 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.888 20.313 18722
723 1 10 . 1 1 7 7 CYS H H 7 9.150 9.150 8.559 0.591 18722
724 1 10 . 1 1 8 8 ARG N N 8 123.350 123.350 124.948 -1.598 18722
725 1 10 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.514 0.009 18722
726 1 10 . 1 1 8 8 ARG CA C 8 55.508 55.508 54.992 0.516 18722
727 1 10 . 1 1 8 8 ARG CB C 8 32.715 32.715 31.966 0.749 18722
728 1 10 . 1 1 8 8 ARG H H 8 8.696 8.696 9.209 -0.513 18722
729 1 10 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.023 -0.103 18722
730 1 10 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.443 0.540 18722
731 1 10 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.504 -0.408 18722
732 1 10 . 1 1 9 9 ARG H H 9 9.600 9.600 9.269 0.331 18722
733 1 10 . 1 1 10 10 GLY N N 10 104.380 104.380 103.667 0.713 18722
734 1 10 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.869 0.388 18722
735 1 10 . 1 1 10 10 GLY H H 10 8.693 8.693 8.419 0.274 18722
736 1 10 . 1 1 11 11 VAL N N 11 121.870 121.870 123.193 -1.323 18722
737 1 10 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.247 0.036 18722
738 1 10 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.131 -0.271 18722
739 1 10 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.129 1.222 18722
740 1 10 . 1 1 11 11 VAL H H 11 7.814 7.814 7.580 0.234 18722
741 1 10 . 1 1 12 12 CYS N N 12 126.480 126.480 128.078 -1.598 18722
742 1 10 . 1 1 12 12 CYS HA H 12 5.454 5.454 4.995 0.459 18722
743 1 10 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.324 -2.970 18722
744 1 10 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.609 20.440 18722
745 1 10 . 1 1 12 12 CYS H H 12 9.114 9.114 9.031 0.083 18722
746 1 10 . 1 1 13 13 ARG N N 13 123.800 123.800 125.644 -1.844 18722
747 1 10 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.800 -0.109 18722
748 1 10 . 1 1 13 13 ARG CA C 13 55.050 55.050 55.322 -0.272 18722
749 1 10 . 1 1 13 13 ARG CB C 13 32.296 32.296 34.211 -1.915 18722
750 1 10 . 1 1 13 13 ARG H H 13 8.733 8.733 8.994 -0.261 18722
751 1 10 . 1 1 14 14 CYS N N 14 124.240 124.240 123.747 0.493 18722
752 1 10 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.358 0.208 18722
753 1 10 . 1 1 14 14 CYS CA C 14 55.556 55.556 57.762 -2.206 18722
754 1 10 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.516 20.051 18722
755 1 10 . 1 1 14 14 CYS H H 14 9.180 9.180 8.809 0.371 18722
756 1 10 . 1 1 15 15 VAL N N 15 123.340 123.340 125.756 -2.416 18722
757 1 10 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.334 -0.010 18722
758 1 10 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.397 0.413 18722
759 1 10 . 1 1 15 15 VAL CB C 15 34.339 34.339 32.350 1.989 18722
760 1 10 . 1 1 15 15 VAL H H 15 8.703 8.703 9.239 -0.536 18722
761 1 10 . 1 1 16 16 CYS N N 16 127.520 127.520 127.292 0.228 18722
762 1 10 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.289 0.308 18722
763 1 10 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.920 -2.634 18722
764 1 10 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.954 19.247 18722
765 1 10 . 1 1 16 16 CYS H H 16 9.150 9.150 8.979 0.171 18722
766 1 10 . 1 1 17 17 ARG N N 17 123.350 123.350 125.368 -2.018 18722
767 1 10 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.582 -0.059 18722
768 1 10 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.769 -0.261 18722
769 1 10 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.764 -0.049 18722
770 1 10 . 1 1 17 17 ARG H H 17 8.696 8.696 9.214 -0.518 18722
771 1 11 . 1 1 2 2 VAL N N 2 121.870 121.870 122.521 -0.651 18722
772 1 11 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.372 -0.089 18722
773 1 11 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.573 0.287 18722
774 1 11 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.938 0.413 18722
775 1 11 . 1 1 2 2 VAL H H 2 7.814 7.814 7.615 0.199 18722
776 1 11 . 1 1 3 3 CYS N N 3 126.480 126.480 127.818 -1.338 18722
777 1 11 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.356 0.098 18722
778 1 11 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.087 -2.733 18722
779 1 11 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.126 19.923 18722
780 1 11 . 1 1 3 3 CYS H H 3 9.114 9.114 9.069 0.045 18722
781 1 11 . 1 1 4 4 ARG N N 4 123.800 123.800 125.231 -1.431 18722
782 1 11 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.795 -0.104 18722
783 1 11 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.924 0.126 18722
784 1 11 . 1 1 4 4 ARG CB C 4 32.296 32.296 33.663 -1.367 18722
785 1 11 . 1 1 4 4 ARG H H 4 8.733 8.733 9.157 -0.424 18722
786 1 11 . 1 1 5 5 CYS N N 5 124.240 124.240 125.113 -0.873 18722
787 1 11 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.343 0.223 18722
788 1 11 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.959 -2.403 18722
789 1 11 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.185 21.382 18722
790 1 11 . 1 1 5 5 CYS H H 5 9.180 9.180 8.878 0.302 18722
791 1 11 . 1 1 6 6 VAL N N 6 123.340 123.340 126.425 -3.085 18722
792 1 11 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.336 -0.012 18722
793 1 11 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.322 0.488 18722
794 1 11 . 1 1 6 6 VAL CB C 6 34.339 34.339 32.958 1.381 18722
795 1 11 . 1 1 6 6 VAL H H 6 8.703 8.703 9.260 -0.557 18722
796 1 11 . 1 1 7 7 CYS N N 7 127.520 127.520 126.824 0.696 18722
797 1 11 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.288 0.309 18722
798 1 11 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.929 -2.643 18722
799 1 11 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.648 19.553 18722
800 1 11 . 1 1 7 7 CYS H H 7 9.150 9.150 8.958 0.192 18722
801 1 11 . 1 1 8 8 ARG N N 8 123.350 123.350 124.894 -1.544 18722
802 1 11 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.509 0.014 18722
803 1 11 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.801 -0.293 18722
804 1 11 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.532 0.183 18722
805 1 11 . 1 1 8 8 ARG H H 8 8.696 8.696 9.229 -0.533 18722
806 1 11 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.040 -0.120 18722
807 1 11 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.444 0.539 18722
808 1 11 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.486 -0.390 18722
809 1 11 . 1 1 9 9 ARG H H 9 9.600 9.600 9.190 0.410 18722
810 1 11 . 1 1 10 10 GLY N N 10 104.380 104.380 103.281 1.099 18722
811 1 11 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.818 0.439 18722
812 1 11 . 1 1 10 10 GLY H H 10 8.693 8.693 8.224 0.469 18722
813 1 11 . 1 1 11 11 VAL N N 11 121.870 121.870 121.532 0.338 18722
814 1 11 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.287 -0.004 18722
815 1 11 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.452 0.408 18722
816 1 11 . 1 1 11 11 VAL CB C 11 33.351 33.351 33.724 -0.373 18722
817 1 11 . 1 1 11 11 VAL H H 11 7.814 7.814 7.705 0.109 18722
818 1 11 . 1 1 12 12 CYS N N 12 126.480 126.480 126.106 0.374 18722
819 1 11 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.403 0.051 18722
820 1 11 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.961 -2.607 18722
821 1 11 . 1 1 12 12 CYS CB C 12 47.049 47.049 28.404 18.645 18722
822 1 11 . 1 1 12 12 CYS H H 12 9.114 9.114 8.881 0.233 18722
823 1 11 . 1 1 13 13 ARG N N 13 123.800 123.800 124.634 -0.834 18722
824 1 11 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.744 -0.053 18722
825 1 11 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.319 0.731 18722
826 1 11 . 1 1 13 13 ARG CB C 13 32.296 32.296 32.204 0.092 18722
827 1 11 . 1 1 13 13 ARG H H 13 8.733 8.733 9.224 -0.491 18722
828 1 11 . 1 1 14 14 CYS N N 14 124.240 124.240 124.886 -0.646 18722
829 1 11 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.259 0.307 18722
830 1 11 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.340 -2.784 18722
831 1 11 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.147 21.420 18722
832 1 11 . 1 1 14 14 CYS H H 14 9.180 9.180 8.890 0.290 18722
833 1 11 . 1 1 15 15 VAL N N 15 123.340 123.340 125.845 -2.505 18722
834 1 11 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.443 -0.119 18722
835 1 11 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.226 0.584 18722
836 1 11 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.647 -1.308 18722
837 1 11 . 1 1 15 15 VAL H H 15 8.703 8.703 9.253 -0.550 18722
838 1 11 . 1 1 16 16 CYS N N 16 127.520 127.520 125.338 2.182 18722
839 1 11 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.328 0.269 18722
840 1 11 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.752 -2.466 18722
841 1 11 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.359 19.842 18722
842 1 11 . 1 1 16 16 CYS H H 16 9.150 9.150 8.805 0.345 18722
843 1 11 . 1 1 17 17 ARG N N 17 123.350 123.350 125.167 -1.817 18722
844 1 11 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.573 -0.050 18722
845 1 11 . 1 1 17 17 ARG CA C 17 55.508 55.508 56.030 -0.522 18722
846 1 11 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.278 -0.562 18722
847 1 11 . 1 1 17 17 ARG H H 17 8.696 8.696 9.193 -0.497 18722
848 1 12 . 1 1 2 2 VAL N N 2 121.870 121.870 123.274 -1.404 18722
849 1 12 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.359 -0.076 18722
850 1 12 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.501 0.360 18722
851 1 12 . 1 1 2 2 VAL CB C 2 33.351 33.351 31.623 1.728 18722
852 1 12 . 1 1 2 2 VAL H H 2 7.814 7.814 7.710 0.104 18722
853 1 12 . 1 1 3 3 CYS N N 3 126.480 126.480 127.470 -0.990 18722
854 1 12 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.270 0.184 18722
855 1 12 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.090 -2.736 18722
856 1 12 . 1 1 3 3 CYS CB C 3 47.049 47.049 29.197 17.852 18722
857 1 12 . 1 1 3 3 CYS H H 3 9.114 9.114 8.980 0.134 18722
858 1 12 . 1 1 4 4 ARG N N 4 123.800 123.800 123.028 0.772 18722
859 1 12 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.765 -0.074 18722
860 1 12 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.849 0.201 18722
861 1 12 . 1 1 4 4 ARG CB C 4 32.296 32.296 34.166 -1.870 18722
862 1 12 . 1 1 4 4 ARG H H 4 8.733 8.733 9.173 -0.440 18722
863 1 12 . 1 1 5 5 CYS N N 5 124.240 124.240 121.675 2.565 18722
864 1 12 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.000 0.566 18722
865 1 12 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.383 -2.827 18722
866 1 12 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.642 20.925 18722
867 1 12 . 1 1 5 5 CYS H H 5 9.180 9.180 8.822 0.358 18722
868 1 12 . 1 1 6 6 VAL N N 6 123.340 123.340 126.029 -2.689 18722
869 1 12 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.358 -0.034 18722
870 1 12 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.557 0.253 18722
871 1 12 . 1 1 6 6 VAL CB C 6 34.339 34.339 33.685 0.654 18722
872 1 12 . 1 1 6 6 VAL H H 6 8.703 8.703 9.176 -0.473 18722
873 1 12 . 1 1 7 7 CYS N N 7 127.520 127.520 127.188 0.332 18722
874 1 12 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.242 0.355 18722
875 1 12 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.859 -2.573 18722
876 1 12 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.927 20.274 18722
877 1 12 . 1 1 7 7 CYS H H 7 9.150 9.150 8.990 0.160 18722
878 1 12 . 1 1 8 8 ARG N N 8 123.350 123.350 125.499 -2.149 18722
879 1 12 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.521 0.002 18722
880 1 12 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.646 -0.138 18722
881 1 12 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.185 0.530 18722
882 1 12 . 1 1 8 8 ARG H H 8 8.696 8.696 9.164 -0.468 18722
883 1 12 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.042 -0.122 18722
884 1 12 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.949 0.034 18722
885 1 12 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.654 -0.558 18722
886 1 12 . 1 1 9 9 ARG H H 9 9.600 9.600 9.392 0.208 18722
887 1 12 . 1 1 10 10 GLY N N 10 104.380 104.380 104.403 -0.023 18722
888 1 12 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.819 0.438 18722
889 1 12 . 1 1 10 10 GLY H H 10 8.693 8.693 8.468 0.225 18722
890 1 12 . 1 1 11 11 VAL N N 11 121.870 121.870 123.182 -1.312 18722
891 1 12 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.135 0.148 18722
892 1 12 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.059 -0.199 18722
893 1 12 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.212 1.139 18722
894 1 12 . 1 1 11 11 VAL H H 11 7.814 7.814 7.641 0.173 18722
895 1 12 . 1 1 12 12 CYS N N 12 126.480 126.480 127.637 -1.157 18722
896 1 12 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.285 0.169 18722
897 1 12 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.059 -2.705 18722
898 1 12 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.073 19.976 18722
899 1 12 . 1 1 12 12 CYS H H 12 9.114 9.114 9.005 0.109 18722
900 1 12 . 1 1 13 13 ARG N N 13 123.800 123.800 125.513 -1.713 18722
901 1 12 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.794 -0.103 18722
902 1 12 . 1 1 13 13 ARG CA C 13 55.050 55.050 55.138 -0.088 18722
903 1 12 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.212 -0.916 18722
904 1 12 . 1 1 13 13 ARG H H 13 8.733 8.733 9.224 -0.491 18722
905 1 12 . 1 1 14 14 CYS N N 14 124.240 124.240 124.797 -0.557 18722
906 1 12 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.378 0.188 18722
907 1 12 . 1 1 14 14 CYS CA C 14 55.556 55.556 57.995 -2.439 18722
908 1 12 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.047 20.520 18722
909 1 12 . 1 1 14 14 CYS H H 14 9.180 9.180 8.871 0.309 18722
910 1 12 . 1 1 15 15 VAL N N 15 123.340 123.340 124.690 -1.350 18722
911 1 12 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.452 -0.128 18722
912 1 12 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.249 0.561 18722
913 1 12 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.238 -0.899 18722
914 1 12 . 1 1 15 15 VAL H H 15 8.703 8.703 9.184 -0.481 18722
915 1 12 . 1 1 16 16 CYS N N 16 127.520 127.520 125.028 2.492 18722
916 1 12 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.338 0.259 18722
917 1 12 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.636 -2.350 18722
918 1 12 . 1 1 16 16 CYS CB C 16 48.201 48.201 29.825 18.376 18722
919 1 12 . 1 1 16 16 CYS H H 16 9.150 9.150 8.765 0.385 18722
920 1 12 . 1 1 17 17 ARG N N 17 123.350 123.350 123.875 -0.525 18722
921 1 12 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.620 -0.097 18722
922 1 12 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.645 -0.137 18722
923 1 12 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.648 0.067 18722
924 1 12 . 1 1 17 17 ARG H H 17 8.696 8.696 9.184 -0.488 18722
925 1 13 . 1 1 2 2 VAL N N 2 121.870 121.870 121.969 -0.099 18722
926 1 13 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.387 -0.104 18722
927 1 13 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.491 0.369 18722
928 1 13 . 1 1 2 2 VAL CB C 2 33.351 33.351 33.603 -0.252 18722
929 1 13 . 1 1 2 2 VAL H H 2 7.814 7.814 7.807 0.007 18722
930 1 13 . 1 1 3 3 CYS N N 3 126.480 126.480 126.753 -0.273 18722
931 1 13 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.335 0.119 18722
932 1 13 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.095 -2.741 18722
933 1 13 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.817 19.232 18722
934 1 13 . 1 1 3 3 CYS H H 3 9.114 9.114 8.917 0.197 18722
935 1 13 . 1 1 4 4 ARG N N 4 123.800 123.800 124.439 -0.639 18722
936 1 13 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.810 -0.119 18722
937 1 13 . 1 1 4 4 ARG CA C 4 55.050 55.050 55.115 -0.065 18722
938 1 13 . 1 1 4 4 ARG CB C 4 32.296 32.296 34.341 -2.045 18722
939 1 13 . 1 1 4 4 ARG H H 4 8.733 8.733 9.271 -0.538 18722
940 1 13 . 1 1 5 5 CYS N N 5 124.240 124.240 123.875 0.365 18722
941 1 13 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.154 0.412 18722
942 1 13 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.972 -2.416 18722
943 1 13 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.061 20.506 18722
944 1 13 . 1 1 5 5 CYS H H 5 9.180 9.180 8.819 0.361 18722
945 1 13 . 1 1 6 6 VAL N N 6 123.340 123.340 126.303 -2.963 18722
946 1 13 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.367 -0.043 18722
947 1 13 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.220 0.590 18722
948 1 13 . 1 1 6 6 VAL CB C 6 34.339 34.339 32.709 1.630 18722
949 1 13 . 1 1 6 6 VAL H H 6 8.703 8.703 9.202 -0.499 18722
950 1 13 . 1 1 7 7 CYS N N 7 127.520 127.520 127.462 0.058 18722
951 1 13 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.307 0.290 18722
952 1 13 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.953 -2.667 18722
953 1 13 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.828 19.373 18722
954 1 13 . 1 1 7 7 CYS H H 7 9.150 9.150 8.938 0.212 18722
955 1 13 . 1 1 8 8 ARG N N 8 123.350 123.350 125.091 -1.741 18722
956 1 13 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.543 -0.020 18722
957 1 13 . 1 1 8 8 ARG CA C 8 55.508 55.508 54.852 0.656 18722
958 1 13 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.150 0.565 18722
959 1 13 . 1 1 8 8 ARG H H 8 8.696 8.696 9.133 -0.437 18722
960 1 13 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.020 -0.100 18722
961 1 13 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.974 0.009 18722
962 1 13 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.976 -0.880 18722
963 1 13 . 1 1 9 9 ARG H H 9 9.600 9.600 9.325 0.275 18722
964 1 13 . 1 1 10 10 GLY N N 10 104.380 104.380 104.125 0.255 18722
965 1 13 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.801 0.456 18722
966 1 13 . 1 1 10 10 GLY H H 10 8.693 8.693 8.349 0.344 18722
967 1 13 . 1 1 11 11 VAL N N 11 121.870 121.870 123.409 -1.539 18722
968 1 13 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.050 0.233 18722
969 1 13 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.462 -0.602 18722
970 1 13 . 1 1 11 11 VAL CB C 11 33.351 33.351 31.944 1.407 18722
971 1 13 . 1 1 11 11 VAL H H 11 7.814 7.814 7.660 0.154 18722
972 1 13 . 1 1 12 12 CYS N N 12 126.480 126.480 127.859 -1.379 18722
973 1 13 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.150 0.304 18722
974 1 13 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.027 -2.673 18722
975 1 13 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.708 19.341 18722
976 1 13 . 1 1 12 12 CYS H H 12 9.114 9.114 8.958 0.156 18722
977 1 13 . 1 1 13 13 ARG N N 13 123.800 123.800 124.623 -0.823 18722
978 1 13 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.722 -0.031 18722
979 1 13 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.669 0.381 18722
980 1 13 . 1 1 13 13 ARG CB C 13 32.296 32.296 32.087 0.209 18722
981 1 13 . 1 1 13 13 ARG H H 13 8.733 8.733 9.166 -0.433 18722
982 1 13 . 1 1 14 14 CYS N N 14 124.240 124.240 124.125 0.115 18722
983 1 13 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.271 0.295 18722
984 1 13 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.538 -2.982 18722
985 1 13 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.266 21.301 18722
986 1 13 . 1 1 14 14 CYS H H 14 9.180 9.180 8.897 0.283 18722
987 1 13 . 1 1 15 15 VAL N N 15 123.340 123.340 125.399 -2.059 18722
988 1 13 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.436 -0.112 18722
989 1 13 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.244 0.566 18722
990 1 13 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.860 -1.521 18722
991 1 13 . 1 1 15 15 VAL H H 15 8.703 8.703 9.266 -0.563 18722
992 1 13 . 1 1 16 16 CYS N N 16 127.520 127.520 126.172 1.348 18722
993 1 13 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.448 0.149 18722
994 1 13 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.635 -2.349 18722
995 1 13 . 1 1 16 16 CYS CB C 16 48.201 48.201 29.024 19.177 18722
996 1 13 . 1 1 16 16 CYS H H 16 9.150 9.150 8.811 0.339 18722
997 1 13 . 1 1 17 17 ARG N N 17 123.350 123.350 125.198 -1.848 18722
998 1 13 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.688 -0.165 18722
999 1 13 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.033 0.475 18722
1000 1 13 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.018 -0.303 18722
1001 1 13 . 1 1 17 17 ARG H H 17 8.696 8.696 9.208 -0.512 18722
1002 1 14 . 1 1 2 2 VAL N N 2 121.870 121.870 121.953 -0.083 18722
1003 1 14 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.365 -0.082 18722
1004 1 14 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.394 0.466 18722
1005 1 14 . 1 1 2 2 VAL CB C 2 33.351 33.351 33.934 -0.583 18722
1006 1 14 . 1 1 2 2 VAL H H 2 7.814 7.814 7.618 0.196 18722
1007 1 14 . 1 1 3 3 CYS N N 3 126.480 126.480 127.365 -0.885 18722
1008 1 14 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.282 0.172 18722
1009 1 14 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.025 -2.671 18722
1010 1 14 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.323 19.726 18722
1011 1 14 . 1 1 3 3 CYS H H 3 9.114 9.114 9.045 0.069 18722
1012 1 14 . 1 1 4 4 ARG N N 4 123.800 123.800 124.843 -1.043 18722
1013 1 14 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.770 -0.079 18722
1014 1 14 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.652 0.398 18722
1015 1 14 . 1 1 4 4 ARG CB C 4 32.296 32.296 33.485 -1.189 18722
1016 1 14 . 1 1 4 4 ARG H H 4 8.733 8.733 9.091 -0.358 18722
1017 1 14 . 1 1 5 5 CYS N N 5 124.240 124.240 122.036 2.204 18722
1018 1 14 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.335 0.231 18722
1019 1 14 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.201 -2.645 18722
1020 1 14 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.435 21.132 18722
1021 1 14 . 1 1 5 5 CYS H H 5 9.180 9.180 8.838 0.342 18722
1022 1 14 . 1 1 6 6 VAL N N 6 123.340 123.340 125.962 -2.622 18722
1023 1 14 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.406 -0.082 18722
1024 1 14 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.445 0.365 18722
1025 1 14 . 1 1 6 6 VAL CB C 6 34.339 34.339 34.313 0.026 18722
1026 1 14 . 1 1 6 6 VAL H H 6 8.703 8.703 9.227 -0.524 18722
1027 1 14 . 1 1 7 7 CYS N N 7 127.520 127.520 126.073 1.447 18722
1028 1 14 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.279 0.318 18722
1029 1 14 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.814 -2.528 18722
1030 1 14 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.311 19.890 18722
1031 1 14 . 1 1 7 7 CYS H H 7 9.150 9.150 8.928 0.222 18722
1032 1 14 . 1 1 8 8 ARG N N 8 123.350 123.350 124.582 -1.232 18722
1033 1 14 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.526 -0.003 18722
1034 1 14 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.267 0.241 18722
1035 1 14 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.074 0.641 18722
1036 1 14 . 1 1 8 8 ARG H H 8 8.696 8.696 9.154 -0.458 18722
1037 1 14 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.024 -0.104 18722
1038 1 14 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.728 0.255 18722
1039 1 14 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.881 -0.784 18722
1040 1 14 . 1 1 9 9 ARG H H 9 9.600 9.600 9.274 0.326 18722
1041 1 14 . 1 1 10 10 GLY N N 10 104.380 104.380 103.095 1.285 18722
1042 1 14 . 1 1 10 10 GLY CA C 10 45.257 45.257 45.068 0.189 18722
1043 1 14 . 1 1 10 10 GLY H H 10 8.693 8.693 8.199 0.494 18722
1044 1 14 . 1 1 11 11 VAL N N 11 121.870 121.870 123.464 -1.594 18722
1045 1 14 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.182 0.101 18722
1046 1 14 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.555 -0.695 18722
1047 1 14 . 1 1 11 11 VAL CB C 11 33.351 33.351 31.828 1.523 18722
1048 1 14 . 1 1 11 11 VAL H H 11 7.814 7.814 7.548 0.266 18722
1049 1 14 . 1 1 12 12 CYS N N 12 126.480 126.480 127.687 -1.207 18722
1050 1 14 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.252 0.202 18722
1051 1 14 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.987 -2.633 18722
1052 1 14 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.536 19.513 18722
1053 1 14 . 1 1 12 12 CYS H H 12 9.114 9.114 8.991 0.123 18722
1054 1 14 . 1 1 13 13 ARG N N 13 123.800 123.800 123.818 -0.018 18722
1055 1 14 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.865 -0.174 18722
1056 1 14 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.491 0.559 18722
1057 1 14 . 1 1 13 13 ARG CB C 13 32.296 32.296 32.251 0.045 18722
1058 1 14 . 1 1 13 13 ARG H H 13 8.733 8.733 9.047 -0.314 18722
1059 1 14 . 1 1 14 14 CYS N N 14 124.240 124.240 121.661 2.579 18722
1060 1 14 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.345 0.221 18722
1061 1 14 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.101 -2.545 18722
1062 1 14 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.111 20.456 18722
1063 1 14 . 1 1 14 14 CYS H H 14 9.180 9.180 8.846 0.334 18722
1064 1 14 . 1 1 15 15 VAL N N 15 123.340 123.340 125.347 -2.007 18722
1065 1 14 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.403 -0.079 18722
1066 1 14 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.326 0.484 18722
1067 1 14 . 1 1 15 15 VAL CB C 15 34.339 34.339 34.487 -0.148 18722
1068 1 14 . 1 1 15 15 VAL H H 15 8.703 8.703 9.257 -0.554 18722
1069 1 14 . 1 1 16 16 CYS N N 16 127.520 127.520 127.226 0.294 18722
1070 1 14 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.234 0.363 18722
1071 1 14 . 1 1 16 16 CYS CA C 16 55.286 55.286 58.222 -2.936 18722
1072 1 14 . 1 1 16 16 CYS CB C 16 48.201 48.201 27.425 20.776 18722
1073 1 14 . 1 1 16 16 CYS H H 16 9.150 9.150 8.994 0.156 18722
1074 1 14 . 1 1 17 17 ARG N N 17 123.350 123.350 126.086 -2.736 18722
1075 1 14 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.634 -0.111 18722
1076 1 14 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.113 1.395 18722
1077 1 14 . 1 1 17 17 ARG CB C 17 32.715 32.715 31.927 0.787 18722
1078 1 14 . 1 1 17 17 ARG H H 17 8.696 8.696 9.191 -0.495 18722
1079 1 15 . 1 1 2 2 VAL N N 2 121.870 121.870 122.739 -0.869 18722
1080 1 15 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.343 -0.060 18722
1081 1 15 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.954 -0.094 18722
1082 1 15 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.818 0.533 18722
1083 1 15 . 1 1 2 2 VAL H H 2 7.814 7.814 7.625 0.189 18722
1084 1 15 . 1 1 3 3 CYS N N 3 126.480 126.480 127.611 -1.131 18722
1085 1 15 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.244 0.210 18722
1086 1 15 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.069 -2.715 18722
1087 1 15 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.977 19.072 18722
1088 1 15 . 1 1 3 3 CYS H H 3 9.114 9.114 9.081 0.033 18722
1089 1 15 . 1 1 4 4 ARG N N 4 123.800 123.800 125.381 -1.581 18722
1090 1 15 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.776 -0.085 18722
1091 1 15 . 1 1 4 4 ARG CA C 4 55.050 55.050 55.099 -0.049 18722
1092 1 15 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.344 -0.048 18722
1093 1 15 . 1 1 4 4 ARG H H 4 8.733 8.733 9.267 -0.534 18722
1094 1 15 . 1 1 5 5 CYS N N 5 124.240 124.240 126.177 -1.937 18722
1095 1 15 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.643 -0.077 18722
1096 1 15 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.558 -2.002 18722
1097 1 15 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.331 20.236 18722
1098 1 15 . 1 1 5 5 CYS H H 5 9.180 9.180 8.804 0.376 18722
1099 1 15 . 1 1 6 6 VAL N N 6 123.340 123.340 123.345 -0.005 18722
1100 1 15 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.569 -0.245 18722
1101 1 15 . 1 1 6 6 VAL CA C 6 61.810 61.810 60.564 1.246 18722
1102 1 15 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.551 -1.212 18722
1103 1 15 . 1 1 6 6 VAL H H 6 8.703 8.703 9.244 -0.541 18722
1104 1 15 . 1 1 7 7 CYS N N 7 127.520 127.520 126.479 1.041 18722
1105 1 15 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.082 0.515 18722
1106 1 15 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.676 -2.390 18722
1107 1 15 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.269 20.932 18722
1108 1 15 . 1 1 7 7 CYS H H 7 9.150 9.150 8.644 0.506 18722
1109 1 15 . 1 1 8 8 ARG N N 8 123.350 123.350 126.286 -2.936 18722
1110 1 15 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.471 0.052 18722
1111 1 15 . 1 1 8 8 ARG CA C 8 55.508 55.508 54.117 1.391 18722
1112 1 15 . 1 1 8 8 ARG CB C 8 32.715 32.715 30.431 2.284 18722
1113 1 15 . 1 1 8 8 ARG H H 8 8.696 8.696 9.198 -0.502 18722
1114 1 15 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.009 -0.089 18722
1115 1 15 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.198 0.785 18722
1116 1 15 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.294 -0.198 18722
1117 1 15 . 1 1 9 9 ARG H H 9 9.600 9.600 9.314 0.286 18722
1118 1 15 . 1 1 10 10 GLY N N 10 104.380 104.380 104.300 0.080 18722
1119 1 15 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.924 0.333 18722
1120 1 15 . 1 1 10 10 GLY H H 10 8.693 8.693 8.567 0.126 18722
1121 1 15 . 1 1 11 11 VAL N N 11 121.870 121.870 123.477 -1.607 18722
1122 1 15 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.259 0.024 18722
1123 1 15 . 1 1 11 11 VAL CA C 11 61.860 61.860 62.043 -0.183 18722
1124 1 15 . 1 1 11 11 VAL CB C 11 33.351 33.351 31.851 1.500 18722
1125 1 15 . 1 1 11 11 VAL H H 11 7.814 7.814 7.555 0.259 18722
1126 1 15 . 1 1 12 12 CYS N N 12 126.480 126.480 128.042 -1.562 18722
1127 1 15 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.338 0.116 18722
1128 1 15 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.935 -2.581 18722
1129 1 15 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.907 20.142 18722
1130 1 15 . 1 1 12 12 CYS H H 12 9.114 9.114 9.021 0.093 18722
1131 1 15 . 1 1 13 13 ARG N N 13 123.800 123.800 124.055 -0.255 18722
1132 1 15 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.857 -0.166 18722
1133 1 15 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.420 0.630 18722
1134 1 15 . 1 1 13 13 ARG CB C 13 32.296 32.296 32.239 0.057 18722
1135 1 15 . 1 1 13 13 ARG H H 13 8.733 8.733 9.158 -0.425 18722
1136 1 15 . 1 1 14 14 CYS N N 14 124.240 124.240 122.271 1.969 18722
1137 1 15 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.223 0.343 18722
1138 1 15 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.283 -2.727 18722
1139 1 15 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.004 20.563 18722
1140 1 15 . 1 1 14 14 CYS H H 14 9.180 9.180 8.798 0.382 18722
1141 1 15 . 1 1 15 15 VAL N N 15 123.340 123.340 125.849 -2.509 18722
1142 1 15 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.414 -0.090 18722
1143 1 15 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.415 0.395 18722
1144 1 15 . 1 1 15 15 VAL CB C 15 34.339 34.339 34.952 -0.613 18722
1145 1 15 . 1 1 15 15 VAL H H 15 8.703 8.703 9.047 -0.344 18722
1146 1 15 . 1 1 16 16 CYS N N 16 127.520 127.520 126.374 1.146 18722
1147 1 15 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.482 0.115 18722
1148 1 15 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.681 -2.395 18722
1149 1 15 . 1 1 16 16 CYS CB C 16 48.201 48.201 29.338 18.863 18722
1150 1 15 . 1 1 16 16 CYS H H 16 9.150 9.150 8.845 0.305 18722
1151 1 15 . 1 1 17 17 ARG N N 17 123.350 123.350 124.576 -1.226 18722
1152 1 15 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.613 -0.090 18722
1153 1 15 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.868 -0.360 18722
1154 1 15 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.383 -0.668 18722
1155 1 15 . 1 1 17 17 ARG H H 17 8.696 8.696 9.223 -0.527 18722
1156 1 16 . 1 1 2 2 VAL N N 2 121.870 121.870 123.303 -1.433 18722
1157 1 16 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.324 -0.041 18722
1158 1 16 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.539 0.321 18722
1159 1 16 . 1 1 2 2 VAL CB C 2 33.351 33.351 31.317 2.034 18722
1160 1 16 . 1 1 2 2 VAL H H 2 7.814 7.814 7.721 0.093 18722
1161 1 16 . 1 1 3 3 CYS N N 3 126.480 126.480 128.059 -1.579 18722
1162 1 16 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.191 0.263 18722
1163 1 16 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.129 -2.775 18722
1164 1 16 . 1 1 3 3 CYS CB C 3 47.049 47.049 28.029 19.020 18722
1165 1 16 . 1 1 3 3 CYS H H 3 9.114 9.114 8.935 0.179 18722
1166 1 16 . 1 1 4 4 ARG N N 4 123.800 123.800 125.034 -1.234 18722
1167 1 16 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.734 -0.043 18722
1168 1 16 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.829 0.221 18722
1169 1 16 . 1 1 4 4 ARG CB C 4 32.296 32.296 31.931 0.365 18722
1170 1 16 . 1 1 4 4 ARG H H 4 8.733 8.733 9.121 -0.388 18722
1171 1 16 . 1 1 5 5 CYS N N 5 124.240 124.240 124.459 -0.219 18722
1172 1 16 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.587 -0.021 18722
1173 1 16 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.578 -2.022 18722
1174 1 16 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.878 19.689 18722
1175 1 16 . 1 1 5 5 CYS H H 5 9.180 9.180 8.800 0.380 18722
1176 1 16 . 1 1 6 6 VAL N N 6 123.340 123.340 123.775 -0.435 18722
1177 1 16 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.554 -0.230 18722
1178 1 16 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.062 0.748 18722
1179 1 16 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.148 -0.809 18722
1180 1 16 . 1 1 6 6 VAL H H 6 8.703 8.703 9.191 -0.488 18722
1181 1 16 . 1 1 7 7 CYS N N 7 127.520 127.520 126.160 1.360 18722
1182 1 16 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.364 0.233 18722
1183 1 16 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.347 -2.062 18722
1184 1 16 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.719 19.482 18722
1185 1 16 . 1 1 7 7 CYS H H 7 9.150 9.150 8.543 0.607 18722
1186 1 16 . 1 1 8 8 ARG N N 8 123.350 123.350 124.399 -1.049 18722
1187 1 16 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.526 -0.003 18722
1188 1 16 . 1 1 8 8 ARG CA C 8 55.508 55.508 56.153 -0.645 18722
1189 1 16 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.235 0.480 18722
1190 1 16 . 1 1 8 8 ARG H H 8 8.696 8.696 9.139 -0.443 18722
1191 1 16 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.044 -0.124 18722
1192 1 16 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.795 0.188 18722
1193 1 16 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.627 -0.530 18722
1194 1 16 . 1 1 9 9 ARG H H 9 9.600 9.600 9.296 0.304 18722
1195 1 16 . 1 1 10 10 GLY N N 10 104.380 104.380 104.217 0.163 18722
1196 1 16 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.796 0.461 18722
1197 1 16 . 1 1 10 10 GLY H H 10 8.693 8.693 8.498 0.195 18722
1198 1 16 . 1 1 11 11 VAL N N 11 121.870 121.870 122.927 -1.057 18722
1199 1 16 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.156 0.127 18722
1200 1 16 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.991 -0.131 18722
1201 1 16 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.148 1.203 18722
1202 1 16 . 1 1 11 11 VAL H H 11 7.814 7.814 7.624 0.190 18722
1203 1 16 . 1 1 12 12 CYS N N 12 126.480 126.480 127.776 -1.296 18722
1204 1 16 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.305 0.149 18722
1205 1 16 . 1 1 12 12 CYS CA C 12 55.354 55.354 57.960 -2.606 18722
1206 1 16 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.662 19.387 18722
1207 1 16 . 1 1 12 12 CYS H H 12 9.114 9.114 9.011 0.102 18722
1208 1 16 . 1 1 13 13 ARG N N 13 123.800 123.800 124.629 -0.829 18722
1209 1 16 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.798 -0.107 18722
1210 1 16 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.776 0.274 18722
1211 1 16 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.435 -1.139 18722
1212 1 16 . 1 1 13 13 ARG H H 13 8.733 8.733 9.291 -0.558 18722
1213 1 16 . 1 1 14 14 CYS N N 14 124.240 124.240 121.328 2.912 18722
1214 1 16 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.448 0.118 18722
1215 1 16 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.009 -2.453 18722
1216 1 16 . 1 1 14 14 CYS CB C 14 48.567 48.567 29.153 19.414 18722
1217 1 16 . 1 1 14 14 CYS H H 14 9.180 9.180 8.831 0.349 18722
1218 1 16 . 1 1 15 15 VAL N N 15 123.340 123.340 125.287 -1.947 18722
1219 1 16 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.412 -0.088 18722
1220 1 16 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.433 0.377 18722
1221 1 16 . 1 1 15 15 VAL CB C 15 34.339 34.339 34.158 0.181 18722
1222 1 16 . 1 1 15 15 VAL H H 15 8.703 8.703 9.076 -0.373 18722
1223 1 16 . 1 1 16 16 CYS N N 16 127.520 127.520 127.130 0.390 18722
1224 1 16 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.269 0.328 18722
1225 1 16 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.718 -2.432 18722
1226 1 16 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.233 19.968 18722
1227 1 16 . 1 1 16 16 CYS H H 16 9.150 9.150 8.946 0.204 18722
1228 1 16 . 1 1 17 17 ARG N N 17 123.350 123.350 125.331 -1.981 18722
1229 1 16 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.576 -0.053 18722
1230 1 16 . 1 1 17 17 ARG CA C 17 55.508 55.508 56.015 -0.507 18722
1231 1 16 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.050 -0.335 18722
1232 1 16 . 1 1 17 17 ARG H H 17 8.696 8.696 9.102 -0.406 18722
1233 1 17 . 1 1 2 2 VAL N N 2 121.870 121.870 122.455 -0.585 18722
1234 1 17 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.336 -0.053 18722
1235 1 17 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.704 0.156 18722
1236 1 17 . 1 1 2 2 VAL CB C 2 33.351 33.351 33.097 0.254 18722
1237 1 17 . 1 1 2 2 VAL H H 2 7.814 7.814 7.589 0.225 18722
1238 1 17 . 1 1 3 3 CYS N N 3 126.480 126.480 128.019 -1.539 18722
1239 1 17 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.229 0.225 18722
1240 1 17 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.981 -2.627 18722
1241 1 17 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.327 19.722 18722
1242 1 17 . 1 1 3 3 CYS H H 3 9.114 9.114 8.855 0.259 18722
1243 1 17 . 1 1 4 4 ARG N N 4 123.800 123.800 125.645 -1.845 18722
1244 1 17 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.779 -0.088 18722
1245 1 17 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.639 0.411 18722
1246 1 17 . 1 1 4 4 ARG CB C 4 32.296 32.296 33.040 -0.744 18722
1247 1 17 . 1 1 4 4 ARG H H 4 8.733 8.733 9.204 -0.471 18722
1248 1 17 . 1 1 5 5 CYS N N 5 124.240 124.240 123.892 0.348 18722
1249 1 17 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.270 0.296 18722
1250 1 17 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.508 -1.952 18722
1251 1 17 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.348 20.220 18722
1252 1 17 . 1 1 5 5 CYS H H 5 9.180 9.180 8.408 0.772 18722
1253 1 17 . 1 1 6 6 VAL N N 6 123.340 123.340 121.064 2.276 18722
1254 1 17 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.619 -0.295 18722
1255 1 17 . 1 1 6 6 VAL CA C 6 61.810 61.810 60.280 1.530 18722
1256 1 17 . 1 1 6 6 VAL CB C 6 34.339 34.339 34.140 0.199 18722
1257 1 17 . 1 1 6 6 VAL H H 6 8.703 8.703 8.954 -0.251 18722
1258 1 17 . 1 1 7 7 CYS N N 7 127.520 127.520 124.557 2.963 18722
1259 1 17 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.305 0.292 18722
1260 1 17 . 1 1 7 7 CYS CA C 7 55.286 55.286 58.392 -3.106 18722
1261 1 17 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.020 20.181 18722
1262 1 17 . 1 1 7 7 CYS H H 7 9.150 9.150 8.781 0.369 18722
1263 1 17 . 1 1 8 8 ARG N N 8 123.350 123.350 125.090 -1.740 18722
1264 1 17 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.543 -0.020 18722
1265 1 17 . 1 1 8 8 ARG CA C 8 55.508 55.508 54.263 1.245 18722
1266 1 17 . 1 1 8 8 ARG CB C 8 32.715 32.715 31.705 1.010 18722
1267 1 17 . 1 1 8 8 ARG H H 8 8.696 8.696 9.239 -0.543 18722
1268 1 17 . 1 1 9 9 ARG HA H 9 3.920 3.920 3.985 -0.065 18722
1269 1 17 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.507 0.476 18722
1270 1 17 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.994 -0.898 18722
1271 1 17 . 1 1 9 9 ARG H H 9 9.600 9.600 9.254 0.346 18722
1272 1 17 . 1 1 10 10 GLY N N 10 104.380 104.380 103.864 0.516 18722
1273 1 17 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.977 0.280 18722
1274 1 17 . 1 1 10 10 GLY H H 10 8.693 8.693 8.279 0.414 18722
1275 1 17 . 1 1 11 11 VAL N N 11 121.870 121.870 121.950 -0.080 18722
1276 1 17 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.232 0.051 18722
1277 1 17 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.504 0.356 18722
1278 1 17 . 1 1 11 11 VAL CB C 11 33.351 33.351 33.298 0.053 18722
1279 1 17 . 1 1 11 11 VAL H H 11 7.814 7.814 7.562 0.252 18722
1280 1 17 . 1 1 12 12 CYS N N 12 126.480 126.480 127.363 -0.883 18722
1281 1 17 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.300 0.154 18722
1282 1 17 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.068 -2.714 18722
1283 1 17 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.954 20.095 18722
1284 1 17 . 1 1 12 12 CYS H H 12 9.114 9.114 9.024 0.090 18722
1285 1 17 . 1 1 13 13 ARG N N 13 123.800 123.800 124.810 -1.010 18722
1286 1 17 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.768 -0.077 18722
1287 1 17 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.643 0.407 18722
1288 1 17 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.809 -1.513 18722
1289 1 17 . 1 1 13 13 ARG H H 13 8.733 8.733 9.208 -0.475 18722
1290 1 17 . 1 1 14 14 CYS N N 14 124.240 124.240 121.970 2.270 18722
1291 1 17 . 1 1 14 14 CYS HA H 14 5.566 5.566 4.978 0.588 18722
1292 1 17 . 1 1 14 14 CYS CA C 14 55.556 55.556 57.830 -2.273 18722
1293 1 17 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.685 20.882 18722
1294 1 17 . 1 1 14 14 CYS H H 14 9.180 9.180 8.671 0.509 18722
1295 1 17 . 1 1 15 15 VAL N N 15 123.340 123.340 123.823 -0.483 18722
1296 1 17 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.428 -0.104 18722
1297 1 17 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.206 0.604 18722
1298 1 17 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.357 -1.018 18722
1299 1 17 . 1 1 15 15 VAL H H 15 8.703 8.703 9.108 -0.405 18722
1300 1 17 . 1 1 16 16 CYS N N 16 127.520 127.520 124.278 3.242 18722
1301 1 17 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.298 0.299 18722
1302 1 17 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.799 -2.513 18722
1303 1 17 . 1 1 16 16 CYS CB C 16 48.201 48.201 27.113 21.088 18722
1304 1 17 . 1 1 16 16 CYS H H 16 9.150 9.150 8.554 0.596 18722
1305 1 17 . 1 1 17 17 ARG N N 17 123.350 123.350 125.541 -2.191 18722
1306 1 17 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.624 -0.101 18722
1307 1 17 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.871 0.637 18722
1308 1 17 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.029 -0.314 18722
1309 1 17 . 1 1 17 17 ARG H H 17 8.696 8.696 9.209 -0.513 18722
1310 1 18 . 1 1 2 2 VAL N N 2 121.870 121.870 123.460 -1.590 18722
1311 1 18 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.288 -0.005 18722
1312 1 18 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.726 0.134 18722
1313 1 18 . 1 1 2 2 VAL CB C 2 33.351 33.351 31.245 2.106 18722
1314 1 18 . 1 1 2 2 VAL H H 2 7.814 7.814 7.730 0.084 18722
1315 1 18 . 1 1 3 3 CYS N N 3 126.480 126.480 128.090 -1.610 18722
1316 1 18 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.116 0.338 18722
1317 1 18 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.230 -2.876 18722
1318 1 18 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.843 19.206 18722
1319 1 18 . 1 1 3 3 CYS H H 3 9.114 9.114 8.979 0.135 18722
1320 1 18 . 1 1 4 4 ARG N N 4 123.800 123.800 126.002 -2.202 18722
1321 1 18 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.709 -0.018 18722
1322 1 18 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.317 0.733 18722
1323 1 18 . 1 1 4 4 ARG CB C 4 32.296 32.296 31.190 1.106 18722
1324 1 18 . 1 1 4 4 ARG H H 4 8.733 8.733 9.219 -0.486 18722
1325 1 18 . 1 1 5 5 CYS N N 5 124.240 124.240 124.938 -0.698 18722
1326 1 18 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.529 0.037 18722
1327 1 18 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.116 -2.560 18722
1328 1 18 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.152 20.415 18722
1329 1 18 . 1 1 5 5 CYS H H 5 9.180 9.180 8.922 0.258 18722
1330 1 18 . 1 1 6 6 VAL N N 6 123.340 123.340 125.396 -2.056 18722
1331 1 18 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.458 -0.134 18722
1332 1 18 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.222 0.588 18722
1333 1 18 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.749 -1.410 18722
1334 1 18 . 1 1 6 6 VAL H H 6 8.703 8.703 9.374 -0.671 18722
1335 1 18 . 1 1 7 7 CYS N N 7 127.520 127.520 125.949 1.571 18722
1336 1 18 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.434 0.163 18722
1337 1 18 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.742 -2.455 18722
1338 1 18 . 1 1 7 7 CYS CB C 7 48.201 48.201 28.282 19.919 18722
1339 1 18 . 1 1 7 7 CYS H H 7 9.150 9.150 8.850 0.300 18722
1340 1 18 . 1 1 8 8 ARG N N 8 123.350 123.350 124.671 -1.321 18722
1341 1 18 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.536 -0.013 18722
1342 1 18 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.988 -0.480 18722
1343 1 18 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.956 -0.241 18722
1344 1 18 . 1 1 8 8 ARG H H 8 8.696 8.696 9.189 -0.493 18722
1345 1 18 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.073 -0.153 18722
1346 1 18 . 1 1 9 9 ARG CA C 9 56.983 56.983 57.036 -0.053 18722
1347 1 18 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.894 -0.798 18722
1348 1 18 . 1 1 9 9 ARG H H 9 9.600 9.600 9.331 0.269 18722
1349 1 18 . 1 1 10 10 GLY N N 10 104.380 104.380 104.177 0.203 18722
1350 1 18 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.817 0.440 18722
1351 1 18 . 1 1 10 10 GLY H H 10 8.693 8.693 8.355 0.338 18722
1352 1 18 . 1 1 11 11 VAL N N 11 121.870 121.870 122.101 -0.231 18722
1353 1 18 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.202 0.081 18722
1354 1 18 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.661 0.199 18722
1355 1 18 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.742 0.609 18722
1356 1 18 . 1 1 11 11 VAL H H 11 7.814 7.814 7.706 0.108 18722
1357 1 18 . 1 1 12 12 CYS N N 12 126.480 126.480 127.591 -1.111 18722
1358 1 18 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.256 0.198 18722
1359 1 18 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.096 -2.742 18722
1360 1 18 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.060 19.989 18722
1361 1 18 . 1 1 12 12 CYS H H 12 9.114 9.114 9.035 0.079 18722
1362 1 18 . 1 1 13 13 ARG N N 13 123.800 123.800 125.409 -1.609 18722
1363 1 18 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.825 -0.134 18722
1364 1 18 . 1 1 13 13 ARG CA C 13 55.050 55.050 55.215 -0.165 18722
1365 1 18 . 1 1 13 13 ARG CB C 13 32.296 32.296 34.056 -1.760 18722
1366 1 18 . 1 1 13 13 ARG H H 13 8.733 8.733 9.296 -0.563 18722
1367 1 18 . 1 1 14 14 CYS N N 14 124.240 124.240 122.873 1.367 18722
1368 1 18 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.610 -0.044 18722
1369 1 18 . 1 1 14 14 CYS CA C 14 55.556 55.556 57.970 -2.414 18722
1370 1 18 . 1 1 14 14 CYS CB C 14 48.567 48.567 29.333 19.234 18722
1371 1 18 . 1 1 14 14 CYS H H 14 9.180 9.180 8.756 0.424 18722
1372 1 18 . 1 1 15 15 VAL N N 15 123.340 123.340 123.739 -0.399 18722
1373 1 18 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.611 -0.287 18722
1374 1 18 . 1 1 15 15 VAL CA C 15 61.810 61.810 60.945 0.865 18722
1375 1 18 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.261 -0.922 18722
1376 1 18 . 1 1 15 15 VAL H H 15 8.703 8.703 9.100 -0.397 18722
1377 1 18 . 1 1 16 16 CYS N N 16 127.520 127.520 127.499 0.021 18722
1378 1 18 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.402 0.195 18722
1379 1 18 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.860 -2.574 18722
1380 1 18 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.357 19.845 18722
1381 1 18 . 1 1 16 16 CYS H H 16 9.150 9.150 8.810 0.340 18722
1382 1 18 . 1 1 17 17 ARG N N 17 123.350 123.350 125.513 -2.163 18722
1383 1 18 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.643 -0.120 18722
1384 1 18 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.167 1.341 18722
1385 1 18 . 1 1 17 17 ARG CB C 17 32.715 32.715 31.857 0.858 18722
1386 1 18 . 1 1 17 17 ARG H H 17 8.696 8.696 9.184 -0.488 18722
1387 1 19 . 1 1 2 2 VAL N N 2 121.870 121.870 123.827 -1.957 18722
1388 1 19 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.233 0.050 18722
1389 1 19 . 1 1 2 2 VAL CA C 2 61.860 61.860 62.244 -0.384 18722
1390 1 19 . 1 1 2 2 VAL CB C 2 33.351 33.351 30.889 2.462 18722
1391 1 19 . 1 1 2 2 VAL H H 2 7.814 7.814 7.731 0.083 18722
1392 1 19 . 1 1 3 3 CYS N N 3 126.480 126.480 127.609 -1.129 18722
1393 1 19 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.418 0.036 18722
1394 1 19 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.867 -2.513 18722
1395 1 19 . 1 1 3 3 CYS CB C 3 47.049 47.049 28.708 18.341 18722
1396 1 19 . 1 1 3 3 CYS H H 3 9.114 9.114 8.828 0.286 18722
1397 1 19 . 1 1 4 4 ARG N N 4 123.800 123.800 124.161 -0.361 18722
1398 1 19 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.791 -0.100 18722
1399 1 19 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.837 0.213 18722
1400 1 19 . 1 1 4 4 ARG CB C 4 32.296 32.296 31.775 0.521 18722
1401 1 19 . 1 1 4 4 ARG H H 4 8.733 8.733 9.198 -0.465 18722
1402 1 19 . 1 1 5 5 CYS N N 5 124.240 124.240 122.912 1.328 18722
1403 1 19 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.417 0.149 18722
1404 1 19 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.158 -2.602 18722
1405 1 19 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.688 20.879 18722
1406 1 19 . 1 1 5 5 CYS H H 5 9.180 9.180 8.726 0.454 18722
1407 1 19 . 1 1 6 6 VAL N N 6 123.340 123.340 124.293 -0.953 18722
1408 1 19 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.572 -0.248 18722
1409 1 19 . 1 1 6 6 VAL CA C 6 61.810 61.810 60.616 1.194 18722
1410 1 19 . 1 1 6 6 VAL CB C 6 34.339 34.339 35.519 -1.180 18722
1411 1 19 . 1 1 6 6 VAL H H 6 8.703 8.703 9.107 -0.404 18722
1412 1 19 . 1 1 7 7 CYS N N 7 127.520 127.520 126.619 0.901 18722
1413 1 19 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.164 0.433 18722
1414 1 19 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.628 -2.342 18722
1415 1 19 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.481 20.720 18722
1416 1 19 . 1 1 7 7 CYS H H 7 9.150 9.150 8.608 0.542 18722
1417 1 19 . 1 1 8 8 ARG N N 8 123.350 123.350 125.457 -2.107 18722
1418 1 19 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.482 0.041 18722
1419 1 19 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.493 0.015 18722
1420 1 19 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.195 0.520 18722
1421 1 19 . 1 1 8 8 ARG H H 8 8.696 8.696 9.108 -0.412 18722
1422 1 19 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.050 -0.130 18722
1423 1 19 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.426 0.557 18722
1424 1 19 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.368 -0.272 18722
1425 1 19 . 1 1 9 9 ARG H H 9 9.600 9.600 9.334 0.266 18722
1426 1 19 . 1 1 10 10 GLY N N 10 104.380 104.380 104.981 -0.601 18722
1427 1 19 . 1 1 10 10 GLY CA C 10 45.257 45.257 45.021 0.236 18722
1428 1 19 . 1 1 10 10 GLY H H 10 8.693 8.693 8.495 0.198 18722
1429 1 19 . 1 1 11 11 VAL N N 11 121.870 121.870 123.114 -1.244 18722
1430 1 19 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.231 0.052 18722
1431 1 19 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.360 0.500 18722
1432 1 19 . 1 1 11 11 VAL CB C 11 33.351 33.351 31.347 2.004 18722
1433 1 19 . 1 1 11 11 VAL H H 11 7.814 7.814 7.617 0.197 18722
1434 1 19 . 1 1 12 12 CYS N N 12 126.480 126.480 127.866 -1.386 18722
1435 1 19 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.259 0.195 18722
1436 1 19 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.121 -2.767 18722
1437 1 19 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.934 20.115 18722
1438 1 19 . 1 1 12 12 CYS H H 12 9.114 9.114 8.953 0.161 18722
1439 1 19 . 1 1 13 13 ARG N N 13 123.800 123.800 125.962 -2.162 18722
1440 1 19 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.736 -0.045 18722
1441 1 19 . 1 1 13 13 ARG CA C 13 55.050 55.050 55.120 -0.070 18722
1442 1 19 . 1 1 13 13 ARG CB C 13 32.296 32.296 33.983 -1.687 18722
1443 1 19 . 1 1 13 13 ARG H H 13 8.733 8.733 9.011 -0.278 18722
1444 1 19 . 1 1 14 14 CYS N N 14 124.240 124.240 124.210 0.030 18722
1445 1 19 . 1 1 14 14 CYS HA H 14 5.566 5.566 4.963 0.603 18722
1446 1 19 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.653 -3.097 18722
1447 1 19 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.288 21.279 18722
1448 1 19 . 1 1 14 14 CYS H H 14 9.180 9.180 8.816 0.364 18722
1449 1 19 . 1 1 15 15 VAL N N 15 123.340 123.340 127.012 -3.672 18722
1450 1 19 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.320 0.004 18722
1451 1 19 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.334 0.476 18722
1452 1 19 . 1 1 15 15 VAL CB C 15 34.339 34.339 33.130 1.209 18722
1453 1 19 . 1 1 15 15 VAL H H 15 8.703 8.703 9.194 -0.491 18722
1454 1 19 . 1 1 16 16 CYS N N 16 127.520 127.520 126.728 0.792 18722
1455 1 19 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.308 0.289 18722
1456 1 19 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.971 -2.685 18722
1457 1 19 . 1 1 16 16 CYS CB C 16 48.201 48.201 29.125 19.076 18722
1458 1 19 . 1 1 16 16 CYS H H 16 9.150 9.150 8.991 0.159 18722
1459 1 19 . 1 1 17 17 ARG N N 17 123.350 123.350 125.397 -2.047 18722
1460 1 19 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.609 -0.086 18722
1461 1 19 . 1 1 17 17 ARG CA C 17 55.508 55.508 54.765 0.743 18722
1462 1 19 . 1 1 17 17 ARG CB C 17 32.715 32.715 31.914 0.801 18722
1463 1 19 . 1 1 17 17 ARG H H 17 8.696 8.696 9.197 -0.501 18722
1464 1 20 . 1 1 2 2 VAL N N 2 121.870 121.870 121.362 0.508 18722
1465 1 20 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.340 -0.057 18722
1466 1 20 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.537 0.323 18722
1467 1 20 . 1 1 2 2 VAL CB C 2 33.351 33.351 34.067 -0.716 18722
1468 1 20 . 1 1 2 2 VAL H H 2 7.814 7.814 7.834 -0.020 18722
1469 1 20 . 1 1 3 3 CYS N N 3 126.480 126.480 125.083 1.397 18722
1470 1 20 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.469 -0.015 18722
1471 1 20 . 1 1 3 3 CYS CA C 3 55.354 55.354 57.822 -2.469 18722
1472 1 20 . 1 1 3 3 CYS CB C 3 47.049 47.049 29.265 17.784 18722
1473 1 20 . 1 1 3 3 CYS H H 3 9.114 9.114 8.921 0.193 18722
1474 1 20 . 1 1 4 4 ARG N N 4 123.800 123.800 122.844 0.956 18722
1475 1 20 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.877 -0.186 18722
1476 1 20 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.452 0.598 18722
1477 1 20 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.717 -0.420 18722
1478 1 20 . 1 1 4 4 ARG H H 4 8.733 8.733 9.276 -0.543 18722
1479 1 20 . 1 1 5 5 CYS N N 5 124.240 124.240 122.065 2.175 18722
1480 1 20 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.345 0.221 18722
1481 1 20 . 1 1 5 5 CYS CA C 5 55.556 55.556 58.047 -2.491 18722
1482 1 20 . 1 1 5 5 CYS CB C 5 48.567 48.567 27.909 20.658 18722
1483 1 20 . 1 1 5 5 CYS H H 5 9.180 9.180 8.875 0.305 18722
1484 1 20 . 1 1 6 6 VAL N N 6 123.340 123.340 126.379 -3.039 18722
1485 1 20 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.327 -0.003 18722
1486 1 20 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.639 0.172 18722
1487 1 20 . 1 1 6 6 VAL CB C 6 34.339 34.339 34.528 -0.189 18722
1488 1 20 . 1 1 6 6 VAL H H 6 8.703 8.703 9.004 -0.301 18722
1489 1 20 . 1 1 7 7 CYS N N 7 127.520 127.520 127.570 -0.050 18722
1490 1 20 . 1 1 7 7 CYS HA H 7 5.597 5.597 4.797 0.800 18722
1491 1 20 . 1 1 7 7 CYS CA C 7 55.286 55.286 58.696 -3.410 18722
1492 1 20 . 1 1 7 7 CYS CB C 7 48.201 48.201 26.467 21.734 18722
1493 1 20 . 1 1 7 7 CYS H H 7 9.150 9.150 8.911 0.239 18722
1494 1 20 . 1 1 8 8 ARG N N 8 123.350 123.350 126.651 -3.301 18722
1495 1 20 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.482 0.041 18722
1496 1 20 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.700 -0.192 18722
1497 1 20 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.235 0.480 18722
1498 1 20 . 1 1 8 8 ARG H H 8 8.696 8.696 9.016 -0.320 18722
1499 1 20 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.060 -0.140 18722
1500 1 20 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.499 0.484 18722
1501 1 20 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.495 -0.399 18722
1502 1 20 . 1 1 9 9 ARG H H 9 9.600 9.600 9.198 0.402 18722
1503 1 20 . 1 1 10 10 GLY N N 10 104.380 104.380 104.102 0.278 18722
1504 1 20 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.920 0.337 18722
1505 1 20 . 1 1 10 10 GLY H H 10 8.693 8.693 8.340 0.353 18722
1506 1 20 . 1 1 11 11 VAL N N 11 121.870 121.870 122.041 -0.171 18722
1507 1 20 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.151 0.132 18722
1508 1 20 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.885 -0.025 18722
1509 1 20 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.026 1.325 18722
1510 1 20 . 1 1 11 11 VAL H H 11 7.814 7.814 7.654 0.160 18722
1511 1 20 . 1 1 12 12 CYS N N 12 126.480 126.480 128.649 -2.169 18722
1512 1 20 . 1 1 12 12 CYS HA H 12 5.454 5.454 4.772 0.682 18722
1513 1 20 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.803 -3.449 18722
1514 1 20 . 1 1 12 12 CYS CB C 12 47.049 47.049 26.270 20.779 18722
1515 1 20 . 1 1 12 12 CYS H H 12 9.114 9.114 9.097 0.017 18722
1516 1 20 . 1 1 13 13 ARG N N 13 123.800 123.800 126.249 -2.449 18722
1517 1 20 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.637 0.054 18722
1518 1 20 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.794 0.256 18722
1519 1 20 . 1 1 13 13 ARG CB C 13 32.296 32.296 31.490 0.806 18722
1520 1 20 . 1 1 13 13 ARG H H 13 8.733 8.733 9.035 -0.302 18722
1521 1 20 . 1 1 14 14 CYS N N 14 124.240 124.240 124.316 -0.076 18722
1522 1 20 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.491 0.075 18722
1523 1 20 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.321 -2.765 18722
1524 1 20 . 1 1 14 14 CYS CB C 14 48.567 48.567 27.205 21.362 18722
1525 1 20 . 1 1 14 14 CYS H H 14 9.180 9.180 8.952 0.228 18722
1526 1 20 . 1 1 15 15 VAL N N 15 123.340 123.340 126.008 -2.668 18722
1527 1 20 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.434 -0.110 18722
1528 1 20 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.312 0.498 18722
1529 1 20 . 1 1 15 15 VAL CB C 15 34.339 34.339 35.092 -0.753 18722
1530 1 20 . 1 1 15 15 VAL H H 15 8.703 8.703 9.277 -0.574 18722
1531 1 20 . 1 1 16 16 CYS N N 16 127.520 127.520 126.829 0.691 18722
1532 1 20 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.546 0.051 18722
1533 1 20 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.628 -2.342 18722
1534 1 20 . 1 1 16 16 CYS CB C 16 48.201 48.201 29.493 18.708 18722
1535 1 20 . 1 1 16 16 CYS H H 16 9.150 9.150 8.897 0.253 18722
1536 1 20 . 1 1 17 17 ARG N N 17 123.350 123.350 123.595 -0.245 18722
1537 1 20 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.688 -0.165 18722
1538 1 20 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.204 0.304 18722
1539 1 20 . 1 1 17 17 ARG CB C 17 32.715 32.715 33.252 -0.537 18722
1540 1 20 . 1 1 17 17 ARG H H 17 8.696 8.696 9.293 -0.597 18722
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 15 1.534 0.656 1.435 18722
2 1 1 "Average Difference" HA 17 0.215 -0.083 0.205 18722
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18722
4 1 1 "Average Difference" CA 16 1.686 0.621 1.619 18722
5 1 1 "Average Difference" CB 15 12.506 -8.347 9.640 18722
6 1 1 "Average Difference" HN 16 0.372 0.037 0.382 18722
7 1 2 "Average Difference" N 15 1.522 0.836 1.316 18722
8 1 2 "Average Difference" HA 17 0.260 -0.125 0.235 18722
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18722
10 1 2 "Average Difference" CA 16 1.644 0.866 1.443 18722
11 1 2 "Average Difference" CB 15 12.463 -8.096 9.808 18722
12 1 2 "Average Difference" HN 16 0.319 0.042 0.326 18722
13 1 3 "Average Difference" N 15 1.422 0.541 1.361 18722
14 1 3 "Average Difference" HA 17 0.256 -0.094 0.245 18722
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18722
16 1 3 "Average Difference" CA 16 1.867 0.718 1.780 18722
17 1 3 "Average Difference" CB 15 12.944 -7.856 10.648 18722
18 1 3 "Average Difference" HN 16 0.402 0.001 0.416 18722
19 1 4 "Average Difference" N 15 1.478 0.282 1.502 18722
20 1 4 "Average Difference" HA 17 0.247 -0.084 0.240 18722
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18722
22 1 4 "Average Difference" CA 16 1.706 0.797 1.558 18722
23 1 4 "Average Difference" CB 15 12.634 -7.910 10.198 18722
24 1 4 "Average Difference" HN 16 0.388 0.082 0.391 18722
25 1 5 "Average Difference" N 15 1.417 0.979 1.061 18722
26 1 5 "Average Difference" HA 17 0.206 -0.077 0.198 18722
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18722
28 1 5 "Average Difference" CA 16 1.701 0.711 1.596 18722
29 1 5 "Average Difference" CB 15 12.667 -8.025 10.145 18722
30 1 5 "Average Difference" HN 16 0.325 0.051 0.331 18722
31 1 6 "Average Difference" N 15 1.344 0.752 1.153 18722
32 1 6 "Average Difference" HA 17 0.221 -0.071 0.216 18722
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18722
34 1 6 "Average Difference" CA 16 1.531 0.797 1.351 18722
35 1 6 "Average Difference" CB 15 12.539 -7.878 10.097 18722
36 1 6 "Average Difference" HN 16 0.402 -0.000 0.415 18722
37 1 7 "Average Difference" N 15 1.525 1.031 1.163 18722
38 1 7 "Average Difference" HA 17 0.221 -0.063 0.218 18722
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18722
40 1 7 "Average Difference" CA 16 1.601 0.798 1.434 18722
41 1 7 "Average Difference" CB 15 12.734 -7.981 10.271 18722
42 1 7 "Average Difference" HN 16 0.387 0.018 0.399 18722
43 1 8 "Average Difference" N 15 1.617 0.960 1.346 18722
44 1 8 "Average Difference" HA 17 0.255 -0.119 0.233 18722
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18722
46 1 8 "Average Difference" CA 16 1.686 0.924 1.456 18722
47 1 8 "Average Difference" CB 15 13.154 -8.001 10.808 18722
48 1 8 "Average Difference" HN 16 0.367 0.044 0.376 18722
49 1 9 "Average Difference" N 15 1.492 0.321 1.508 18722
50 1 9 "Average Difference" HA 17 0.294 -0.154 0.258 18722
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18722
52 1 9 "Average Difference" CA 16 1.675 0.636 1.600 18722
53 1 9 "Average Difference" CB 15 12.872 -8.056 10.391 18722
54 1 9 "Average Difference" HN 16 0.397 -0.025 0.410 18722
55 1 10 "Average Difference" N 15 1.572 0.600 1.504 18722
56 1 10 "Average Difference" HA 17 0.232 -0.111 0.210 18722
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18722
58 1 10 "Average Difference" CA 16 1.579 0.885 1.350 18722
59 1 10 "Average Difference" CB 15 12.553 -7.995 10.018 18722
60 1 10 "Average Difference" HN 16 0.360 -0.011 0.372 18722
61 1 11 "Average Difference" N 15 1.513 0.669 1.404 18722
62 1 11 "Average Difference" HA 17 0.211 -0.081 0.201 18722
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18722
64 1 11 "Average Difference" CA 16 1.641 0.803 1.478 18722
65 1 11 "Average Difference" CB 15 12.762 -7.922 10.356 18722
66 1 11 "Average Difference" HN 16 0.387 0.029 0.398 18722
67 1 12 "Average Difference" N 15 1.564 0.514 1.529 18722
68 1 12 "Average Difference" HA 17 0.253 -0.112 0.233 18722
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18722
70 1 12 "Average Difference" CA 16 1.615 0.897 1.387 18722
71 1 12 "Average Difference" CB 15 12.479 -7.853 10.038 18722
72 1 12 "Average Difference" HN 16 0.345 0.042 0.354 18722
73 1 13 "Average Difference" N 15 1.340 0.748 1.151 18722
74 1 13 "Average Difference" HA 17 0.241 -0.104 0.224 18722
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18722
76 1 13 "Average Difference" CA 16 1.662 0.812 1.498 18722
77 1 13 "Average Difference" CB 15 12.580 -7.849 10.175 18722
78 1 13 "Average Difference" HN 16 0.366 0.041 0.376 18722
79 1 14 "Average Difference" N 15 1.656 0.375 1.669 18722
80 1 14 "Average Difference" HA 17 0.225 -0.090 0.213 18722
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18722
82 1 14 "Average Difference" CA 16 1.699 0.769 1.565 18722
83 1 14 "Average Difference" CB 15 12.827 -8.121 10.277 18722
84 1 14 "Average Difference" HN 16 0.357 0.011 0.369 18722
85 1 15 "Average Difference" N 15 1.551 0.759 1.400 18722
86 1 15 "Average Difference" HA 17 0.243 -0.069 0.240 18722
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18722
88 1 15 "Average Difference" CA 16 1.618 0.670 1.521 18722
89 1 15 "Average Difference" CB 15 12.664 -8.096 10.080 18722
90 1 15 "Average Difference" HN 16 0.375 0.020 0.387 18722
91 1 16 "Average Difference" N 15 1.393 0.549 1.325 18722
92 1 16 "Average Difference" HA 17 0.211 -0.069 0.206 18722
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18722
94 1 16 "Average Difference" CA 16 1.513 0.815 1.316 18722
95 1 16 "Average Difference" CB 15 12.353 -7.894 9.835 18722
96 1 16 "Average Difference" HN 16 0.362 0.003 0.374 18722
97 1 17 "Average Difference" N 15 1.751 -0.084 1.810 18722
98 1 17 "Average Difference" HA 17 0.263 -0.102 0.250 18722
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18722
100 1 17 "Average Difference" CA 16 1.671 0.568 1.623 18722
101 1 17 "Average Difference" CB 15 12.898 -7.948 10.516 18722
102 1 17 "Average Difference" HN 16 0.437 -0.073 0.445 18722
103 1 18 "Average Difference" N 15 1.403 0.789 1.201 18722
104 1 18 "Average Difference" HA 17 0.208 -0.042 0.210 18722
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18722
106 1 18 "Average Difference" CA 16 1.673 0.751 1.544 18722
107 1 18 "Average Difference" CB 15 12.541 -7.877 10.101 18722
108 1 18 "Average Difference" HN 16 0.381 0.048 0.391 18722
109 1 19 "Average Difference" N 15 1.632 0.971 1.358 18722
110 1 19 "Average Difference" HA 17 0.267 -0.114 0.248 18722
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18722
112 1 19 "Average Difference" CA 16 1.696 0.783 1.554 18722
113 1 19 "Average Difference" CB 15 12.754 -8.319 10.006 18722
114 1 19 "Average Difference" HN 16 0.357 -0.010 0.369 18722
115 1 20 "Average Difference" N 15 1.760 0.544 1.732 18722
116 1 20 "Average Difference" HA 17 0.316 -0.123 0.300 18722
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18722
118 1 20 "Average Difference" CA 16 1.772 0.886 1.585 18722
119 1 20 "Average Difference" CB 15 12.801 -8.041 10.309 18722
120 1 20 "Average Difference" HN 16 0.343 0.032 0.353 18722
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 18722
_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 VAL N N 2 121.870 121.870 122.812 -0.942 18722
2 1 . 1 1 2 2 VAL HA H 2 4.283 4.283 4.308 -0.025 18722
3 1 . 1 1 2 2 VAL CA C 2 61.860 61.860 61.852 0.008 18722
4 1 . 1 1 2 2 VAL CB C 2 33.351 33.351 32.570 0.781 18722
5 1 . 1 1 2 2 VAL H H 2 7.814 7.814 7.701 0.113 18722
6 1 . 1 1 3 3 CYS N N 3 126.480 126.480 127.545 -1.065 18722
7 1 . 1 1 3 3 CYS HA H 3 5.454 5.454 5.257 0.197 18722
8 1 . 1 1 3 3 CYS CA C 3 55.354 55.354 58.057 -2.703 18722
9 1 . 1 1 3 3 CYS CB C 3 47.049 47.049 27.833 19.216 18722
10 1 . 1 1 3 3 CYS H H 3 9.114 9.114 8.977 0.137 18722
11 1 . 1 1 4 4 ARG N N 4 123.800 123.800 124.685 -0.885 18722
12 1 . 1 1 4 4 ARG HA H 4 4.691 4.691 4.788 -0.097 18722
13 1 . 1 1 4 4 ARG CA C 4 55.050 55.050 54.722 0.328 18722
14 1 . 1 1 4 4 ARG CB C 4 32.296 32.296 32.787 -0.491 18722
15 1 . 1 1 4 4 ARG H H 4 8.733 8.733 9.185 -0.452 18722
16 1 . 1 1 5 5 CYS N N 5 124.240 124.240 123.778 0.462 18722
17 1 . 1 1 5 5 CYS HA H 5 5.566 5.566 5.384 0.182 18722
18 1 . 1 1 5 5 CYS CA C 5 55.556 55.556 57.929 -2.373 18722
19 1 . 1 1 5 5 CYS CB C 5 48.567 48.567 28.107 20.460 18722
20 1 . 1 1 5 5 CYS H H 5 9.180 9.180 8.800 0.380 18722
21 1 . 1 1 6 6 VAL N N 6 123.340 123.340 124.707 -1.367 18722
22 1 . 1 1 6 6 VAL HA H 6 4.324 4.324 4.460 -0.136 18722
23 1 . 1 1 6 6 VAL CA C 6 61.810 61.810 61.093 0.717 18722
24 1 . 1 1 6 6 VAL CB C 6 34.339 34.339 34.754 -0.415 18722
25 1 . 1 1 6 6 VAL H H 6 8.703 8.703 9.182 -0.479 18722
26 1 . 1 1 7 7 CYS N N 7 127.520 127.520 126.505 1.015 18722
27 1 . 1 1 7 7 CYS HA H 7 5.597 5.597 5.269 0.328 18722
28 1 . 1 1 7 7 CYS CA C 7 55.286 55.286 57.846 -2.560 18722
29 1 . 1 1 7 7 CYS CB C 7 48.201 48.201 27.936 20.265 18722
30 1 . 1 1 7 7 CYS H H 7 9.150 9.150 8.790 0.360 18722
31 1 . 1 1 8 8 ARG N N 8 123.350 123.350 125.146 -1.796 18722
32 1 . 1 1 8 8 ARG HA H 8 4.523 4.523 4.520 0.003 18722
33 1 . 1 1 8 8 ARG CA C 8 55.508 55.508 55.466 0.042 18722
34 1 . 1 1 8 8 ARG CB C 8 32.715 32.715 32.308 0.407 18722
35 1 . 1 1 8 8 ARG H H 8 8.696 8.696 9.166 -0.470 18722
36 1 . 1 1 9 9 ARG HA H 9 3.920 3.920 4.037 -0.117 18722
37 1 . 1 1 9 9 ARG CA C 9 56.983 56.983 56.601 0.382 18722
38 1 . 1 1 9 9 ARG CB C 9 28.096 28.096 28.613 -0.517 18722
39 1 . 1 1 9 9 ARG H H 9 9.600 9.600 9.282 0.318 18722
40 1 . 1 1 10 10 GLY N N 10 104.380 104.380 103.968 0.412 18722
41 1 . 1 1 10 10 GLY CA C 10 45.257 45.257 44.891 0.366 18722
42 1 . 1 1 10 10 GLY H H 10 8.693 8.693 8.358 0.335 18722
43 1 . 1 1 11 11 VAL N N 11 121.870 121.870 122.665 -0.795 18722
44 1 . 1 1 11 11 VAL HA H 11 4.283 4.283 4.211 0.072 18722
45 1 . 1 1 11 11 VAL CA C 11 61.860 61.860 61.782 0.078 18722
46 1 . 1 1 11 11 VAL CB C 11 33.351 33.351 32.395 0.956 18722
47 1 . 1 1 11 11 VAL H H 11 7.814 7.814 7.638 0.176 18722
48 1 . 1 1 12 12 CYS N N 12 126.480 126.480 127.622 -1.142 18722
49 1 . 1 1 12 12 CYS HA H 12 5.454 5.454 5.226 0.228 18722
50 1 . 1 1 12 12 CYS CA C 12 55.354 55.354 58.117 -2.763 18722
51 1 . 1 1 12 12 CYS CB C 12 47.049 47.049 27.289 19.760 18722
52 1 . 1 1 12 12 CYS H H 12 9.114 9.114 8.996 0.118 18722
53 1 . 1 1 13 13 ARG N N 13 123.800 123.800 125.005 -1.205 18722
54 1 . 1 1 13 13 ARG HA H 13 4.691 4.691 4.770 -0.079 18722
55 1 . 1 1 13 13 ARG CA C 13 55.050 55.050 54.630 0.420 18722
56 1 . 1 1 13 13 ARG CB C 13 32.296 32.296 32.943 -0.647 18722
57 1 . 1 1 13 13 ARG H H 13 8.733 8.733 9.183 -0.450 18722
58 1 . 1 1 14 14 CYS N N 14 124.240 124.240 123.320 0.920 18722
59 1 . 1 1 14 14 CYS HA H 14 5.566 5.566 5.282 0.284 18722
60 1 . 1 1 14 14 CYS CA C 14 55.556 55.556 58.146 -2.590 18722
61 1 . 1 1 14 14 CYS CB C 14 48.567 48.567 28.020 20.547 18722
62 1 . 1 1 14 14 CYS H H 14 9.180 9.180 8.836 0.344 18722
63 1 . 1 1 15 15 VAL N N 15 123.340 123.340 125.585 -2.246 18722
64 1 . 1 1 15 15 VAL HA H 15 4.324 4.324 4.408 -0.084 18722
65 1 . 1 1 15 15 VAL CA C 15 61.810 61.810 61.269 0.541 18722
66 1 . 1 1 15 15 VAL CB C 15 34.339 34.339 34.441 -0.102 18722
67 1 . 1 1 15 15 VAL H H 15 8.703 8.703 9.207 -0.504 18722
68 1 . 1 1 16 16 CYS N N 16 127.520 127.520 126.705 0.815 18722
69 1 . 1 1 16 16 CYS HA H 16 5.597 5.597 5.315 0.282 18722
70 1 . 1 1 16 16 CYS CA C 16 55.286 55.286 57.907 -2.621 18722
71 1 . 1 1 16 16 CYS CB C 16 48.201 48.201 28.406 19.795 18722
72 1 . 1 1 16 16 CYS H H 16 9.150 9.150 8.898 0.252 18722
73 1 . 1 1 17 17 ARG N N 17 123.350 123.350 125.123 -1.773 18722
74 1 . 1 1 17 17 ARG HA H 17 4.523 4.523 4.617 -0.094 18722
75 1 . 1 1 17 17 ARG CA C 17 55.508 55.508 55.184 0.324 18722
76 1 . 1 1 17 17 ARG CB C 17 32.715 32.715 32.683 0.032 18722
77 1 . 1 1 17 17 ARG H H 17 8.696 8.696 9.178 -0.482 18722
stop_
save_