data_19177
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19177
_Entry.PDB_ID 2M79
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 19177
_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 ASP HA H 2 4.970 4.970 4.871 0.099 19177
2 1 1 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.322 -1.399 19177
3 1 1 . 1 1 2 2 ASP CB C 2 38.973 38.973 41.651 -2.678 19177
4 1 1 . 1 1 2 2 ASP H H 2 7.937 7.937 8.071 -0.134 19177
5 1 1 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.240 0.145 19177
6 1 1 . 1 1 3 3 CYS CA C 3 55.799 55.799 57.813 -2.014 19177
7 1 1 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.894 18.477 19177
8 1 1 . 1 1 3 3 CYS H H 3 8.868 8.868 8.825 0.043 19177
9 1 1 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.741 -0.069 19177
10 1 1 . 1 1 4 4 ARG CA C 4 55.052 55.052 53.887 1.165 19177
11 1 1 . 1 1 4 4 ARG CB C 4 32.195 32.195 33.030 -0.835 19177
12 1 1 . 1 1 4 4 ARG H H 4 8.619 8.619 9.310 -0.691 19177
13 1 1 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.158 0.324 19177
14 1 1 . 1 1 5 5 CYS CA C 5 55.522 55.522 57.866 -2.344 19177
15 1 1 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.116 20.145 19177
16 1 1 . 1 1 5 5 CYS H H 5 9.041 9.041 8.742 0.299 19177
17 1 1 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.875 -0.197 19177
18 1 1 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.628 1.056 19177
19 1 1 . 1 1 6 6 LEU CB C 6 44.113 44.113 46.495 -2.382 19177
20 1 1 . 1 1 6 6 LEU H H 6 8.701 8.701 9.186 -0.485 19177
21 1 1 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.216 0.237 19177
22 1 1 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.866 -2.524 19177
23 1 1 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.871 19.687 19177
24 1 1 . 1 1 7 7 CYS H H 7 9.050 9.050 8.541 0.509 19177
25 1 1 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.524 0.004 19177
26 1 1 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.361 1.232 19177
27 1 1 . 1 1 8 8 ARG CB C 8 32.226 32.226 30.429 1.797 19177
28 1 1 . 1 1 8 8 ARG H H 8 8.589 8.589 9.155 -0.566 19177
29 1 1 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.030 -0.099 19177
30 1 1 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.806 0.200 19177
31 1 1 . 1 1 9 9 ARG CB C 9 28.248 28.248 27.840 0.408 19177
32 1 1 . 1 1 9 9 ARG H H 9 9.392 9.392 9.303 0.089 19177
33 1 1 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.678 0.644 19177
34 1 1 . 1 1 10 10 GLY H H 10 8.630 8.630 8.155 0.475 19177
35 1 1 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.845 0.139 19177
36 1 1 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.275 -1.241 19177
37 1 1 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.395 -2.141 19177
38 1 1 . 1 1 11 11 ASP H H 11 7.920 7.920 7.818 0.102 19177
39 1 1 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.067 0.311 19177
40 1 1 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.394 -2.729 19177
41 1 1 . 1 1 12 12 CYS CB C 12 46.305 46.305 26.859 19.446 19177
42 1 1 . 1 1 12 12 CYS H H 12 8.880 8.880 8.717 0.163 19177
43 1 1 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.705 -0.016 19177
44 1 1 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.889 -0.513 19177
45 1 1 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.857 -1.881 19177
46 1 1 . 1 1 13 13 ARG H H 13 8.714 8.714 9.152 -0.438 19177
47 1 1 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.048 0.445 19177
48 1 1 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.485 -2.804 19177
49 1 1 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.863 20.898 19177
50 1 1 . 1 1 14 14 CYS H H 14 9.053 9.053 8.549 0.504 19177
51 1 1 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.524 -0.129 19177
52 1 1 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.646 0.700 19177
53 1 1 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.907 -1.639 19177
54 1 1 . 1 1 15 15 ILE H H 15 8.778 8.778 8.972 -0.194 19177
55 1 1 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.235 0.264 19177
56 1 1 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.831 -2.289 19177
57 1 1 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.343 19.291 19177
58 1 1 . 1 1 16 16 CYS H H 16 9.122 9.122 8.940 0.182 19177
59 1 1 . 1 1 17 17 THR HA H 17 4.449 4.449 4.652 -0.203 19177
60 1 1 . 1 1 17 17 THR CA C 17 61.182 61.182 61.513 -0.331 19177
61 1 1 . 1 1 17 17 THR CB C 17 70.161 70.161 70.273 -0.112 19177
62 1 1 . 1 1 17 17 THR H H 17 8.617 8.617 9.128 -0.511 19177
63 1 2 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.867 0.103 19177
64 1 2 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.435 -1.512 19177
65 1 2 . 1 1 2 2 ASP CB C 2 38.973 38.973 41.667 -2.695 19177
66 1 2 . 1 1 2 2 ASP H H 2 7.937 7.937 7.915 0.022 19177
67 1 2 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.158 0.227 19177
68 1 2 . 1 1 3 3 CYS CA C 3 55.799 55.799 57.943 -2.144 19177
69 1 2 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.650 18.721 19177
70 1 2 . 1 1 3 3 CYS H H 3 8.868 8.868 8.812 0.056 19177
71 1 2 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.829 -0.157 19177
72 1 2 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.568 0.484 19177
73 1 2 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.447 -0.252 19177
74 1 2 . 1 1 4 4 ARG H H 4 8.619 8.619 9.337 -0.718 19177
75 1 2 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.187 0.295 19177
76 1 2 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.495 -2.973 19177
77 1 2 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.274 19.987 19177
78 1 2 . 1 1 5 5 CYS H H 5 9.041 9.041 8.829 0.212 19177
79 1 2 . 1 1 6 6 LEU HA H 6 4.678 4.678 5.063 -0.385 19177
80 1 2 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.386 1.298 19177
81 1 2 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.466 -1.353 19177
82 1 2 . 1 1 6 6 LEU H H 6 8.701 8.701 9.211 -0.510 19177
83 1 2 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.293 0.160 19177
84 1 2 . 1 1 7 7 CYS CA C 7 55.342 55.342 58.443 -3.101 19177
85 1 2 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.931 19.627 19177
86 1 2 . 1 1 7 7 CYS H H 7 9.050 9.050 8.784 0.266 19177
87 1 2 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.570 -0.042 19177
88 1 2 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.984 0.609 19177
89 1 2 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.487 -0.261 19177
90 1 2 . 1 1 8 8 ARG H H 8 8.589 8.589 9.189 -0.600 19177
91 1 2 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.003 -0.072 19177
92 1 2 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.832 0.174 19177
93 1 2 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.841 -0.593 19177
94 1 2 . 1 1 9 9 ARG H H 9 9.392 9.392 9.209 0.183 19177
95 1 2 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.736 0.586 19177
96 1 2 . 1 1 10 10 GLY H H 10 8.630 8.630 8.124 0.506 19177
97 1 2 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.883 0.101 19177
98 1 2 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.118 -1.084 19177
99 1 2 . 1 1 11 11 ASP CB C 11 39.254 39.254 42.221 -2.967 19177
100 1 2 . 1 1 11 11 ASP H H 11 7.920 7.920 7.810 0.110 19177
101 1 2 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.204 0.174 19177
102 1 2 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.127 -2.463 19177
103 1 2 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.653 18.652 19177
104 1 2 . 1 1 12 12 CYS H H 12 8.880 8.880 8.976 -0.096 19177
105 1 2 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.776 -0.087 19177
106 1 2 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.599 -1.224 19177
107 1 2 . 1 1 13 13 ARG CB C 13 31.976 31.976 34.331 -2.355 19177
108 1 2 . 1 1 13 13 ARG H H 13 8.714 8.714 9.288 -0.574 19177
109 1 2 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.295 0.198 19177
110 1 2 . 1 1 14 14 CYS CA C 14 55.681 55.681 57.600 -1.919 19177
111 1 2 . 1 1 14 14 CYS CB C 14 47.761 47.761 28.520 19.241 19177
112 1 2 . 1 1 14 14 CYS H H 14 9.053 9.053 8.680 0.373 19177
113 1 2 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.677 -0.282 19177
114 1 2 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.065 0.281 19177
115 1 2 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.304 -1.036 19177
116 1 2 . 1 1 15 15 ILE H H 15 8.778 8.778 9.245 -0.467 19177
117 1 2 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.377 0.122 19177
118 1 2 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.505 -1.962 19177
119 1 2 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.927 18.707 19177
120 1 2 . 1 1 16 16 CYS H H 16 9.122 9.122 8.556 0.566 19177
121 1 2 . 1 1 17 17 THR HA H 17 4.449 4.449 4.601 -0.152 19177
122 1 2 . 1 1 17 17 THR CA C 17 61.182 61.182 61.710 -0.528 19177
123 1 2 . 1 1 17 17 THR CB C 17 70.161 70.161 70.985 -0.824 19177
124 1 2 . 1 1 17 17 THR H H 17 8.617 8.617 9.197 -0.580 19177
125 1 3 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.903 0.067 19177
126 1 3 . 1 1 2 2 ASP CA C 2 51.923 51.923 54.381 -2.458 19177
127 1 3 . 1 1 2 2 ASP CB C 2 38.973 38.973 41.332 -2.359 19177
128 1 3 . 1 1 2 2 ASP H H 2 7.937 7.937 8.399 -0.462 19177
129 1 3 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.118 0.267 19177
130 1 3 . 1 1 3 3 CYS CA C 3 55.799 55.799 57.932 -2.133 19177
131 1 3 . 1 1 3 3 CYS CB C 3 46.371 46.371 28.860 17.511 19177
132 1 3 . 1 1 3 3 CYS H H 3 8.868 8.868 8.908 -0.040 19177
133 1 3 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.788 -0.116 19177
134 1 3 . 1 1 4 4 ARG CA C 4 55.052 55.052 55.546 -0.494 19177
135 1 3 . 1 1 4 4 ARG CB C 4 32.195 32.195 33.737 -1.542 19177
136 1 3 . 1 1 4 4 ARG H H 4 8.619 8.619 9.290 -0.671 19177
137 1 3 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.152 0.330 19177
138 1 3 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.133 -2.611 19177
139 1 3 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.821 19.440 19177
140 1 3 . 1 1 5 5 CYS H H 5 9.041 9.041 8.527 0.514 19177
141 1 3 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.891 -0.213 19177
142 1 3 . 1 1 6 6 LEU CA C 6 54.684 54.684 54.078 0.606 19177
143 1 3 . 1 1 6 6 LEU CB C 6 44.113 44.113 47.112 -2.999 19177
144 1 3 . 1 1 6 6 LEU H H 6 8.701 8.701 9.185 -0.484 19177
145 1 3 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.442 0.011 19177
146 1 3 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.770 -2.428 19177
147 1 3 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.798 19.760 19177
148 1 3 . 1 1 7 7 CYS H H 7 9.050 9.050 8.714 0.336 19177
149 1 3 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.579 -0.051 19177
150 1 3 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.708 -0.115 19177
151 1 3 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.545 -0.319 19177
152 1 3 . 1 1 8 8 ARG H H 8 8.589 8.589 9.138 -0.549 19177
153 1 3 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.026 -0.095 19177
154 1 3 . 1 1 9 9 ARG CA C 9 57.006 57.006 57.042 -0.036 19177
155 1 3 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.923 -0.675 19177
156 1 3 . 1 1 9 9 ARG H H 9 9.392 9.392 9.269 0.123 19177
157 1 3 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.556 0.766 19177
158 1 3 . 1 1 10 10 GLY H H 10 8.630 8.630 8.037 0.593 19177
159 1 3 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.919 0.065 19177
160 1 3 . 1 1 11 11 ASP CA C 11 52.034 52.034 52.956 -0.923 19177
161 1 3 . 1 1 11 11 ASP CB C 11 39.254 39.254 42.511 -3.257 19177
162 1 3 . 1 1 11 11 ASP H H 11 7.920 7.920 7.826 0.094 19177
163 1 3 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.080 0.298 19177
164 1 3 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.096 -2.432 19177
165 1 3 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.106 19.199 19177
166 1 3 . 1 1 12 12 CYS H H 12 8.880 8.880 8.968 -0.088 19177
167 1 3 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.755 -0.066 19177
168 1 3 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.606 -0.231 19177
169 1 3 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.114 -1.138 19177
170 1 3 . 1 1 13 13 ARG H H 13 8.714 8.714 9.179 -0.465 19177
171 1 3 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.101 0.392 19177
172 1 3 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.249 -2.568 19177
173 1 3 . 1 1 14 14 CYS CB C 14 47.761 47.761 28.550 19.211 19177
174 1 3 . 1 1 14 14 CYS H H 14 9.053 9.053 8.477 0.576 19177
175 1 3 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.589 -0.194 19177
176 1 3 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.642 0.704 19177
177 1 3 . 1 1 15 15 ILE CB C 15 40.268 40.268 42.340 -2.072 19177
178 1 3 . 1 1 15 15 ILE H H 15 8.778 8.778 9.302 -0.524 19177
179 1 3 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.353 0.146 19177
180 1 3 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.758 -2.216 19177
181 1 3 . 1 1 16 16 CYS CB C 16 47.634 47.634 30.330 17.304 19177
182 1 3 . 1 1 16 16 CYS H H 16 9.122 9.122 8.843 0.279 19177
183 1 3 . 1 1 17 17 THR HA H 17 4.449 4.449 4.673 -0.224 19177
184 1 3 . 1 1 17 17 THR CA C 17 61.182 61.182 61.736 -0.554 19177
185 1 3 . 1 1 17 17 THR CB C 17 70.161 70.161 69.985 0.176 19177
186 1 3 . 1 1 17 17 THR H H 17 8.617 8.617 9.139 -0.522 19177
187 1 4 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.971 -0.001 19177
188 1 4 . 1 1 2 2 ASP CA C 2 51.923 51.923 52.885 -0.962 19177
189 1 4 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.186 -3.213 19177
190 1 4 . 1 1 2 2 ASP H H 2 7.937 7.937 7.930 0.007 19177
191 1 4 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.146 0.239 19177
192 1 4 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.390 -2.591 19177
193 1 4 . 1 1 3 3 CYS CB C 3 46.371 46.371 26.901 19.470 19177
194 1 4 . 1 1 3 3 CYS H H 3 8.868 8.868 9.027 -0.159 19177
195 1 4 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.684 -0.012 19177
196 1 4 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.806 0.246 19177
197 1 4 . 1 1 4 4 ARG CB C 4 32.195 32.195 31.949 0.246 19177
198 1 4 . 1 1 4 4 ARG H H 4 8.619 8.619 9.268 -0.649 19177
199 1 4 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.005 0.477 19177
200 1 4 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.914 -3.393 19177
201 1 4 . 1 1 5 5 CYS CB C 5 47.261 47.261 28.103 19.158 19177
202 1 4 . 1 1 5 5 CYS H H 5 9.041 9.041 8.928 0.113 19177
203 1 4 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.787 -0.109 19177
204 1 4 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.959 0.724 19177
205 1 4 . 1 1 6 6 LEU CB C 6 44.113 44.113 44.609 -0.496 19177
206 1 4 . 1 1 6 6 LEU H H 6 8.701 8.701 9.214 -0.513 19177
207 1 4 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.263 0.190 19177
208 1 4 . 1 1 7 7 CYS CA C 7 55.342 55.342 58.012 -2.670 19177
209 1 4 . 1 1 7 7 CYS CB C 7 47.558 47.558 26.970 20.588 19177
210 1 4 . 1 1 7 7 CYS H H 7 9.050 9.050 8.899 0.151 19177
211 1 4 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.600 -0.072 19177
212 1 4 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.492 1.101 19177
213 1 4 . 1 1 8 8 ARG CB C 8 32.226 32.226 33.384 -1.158 19177
214 1 4 . 1 1 8 8 ARG H H 8 8.589 8.589 8.937 -0.348 19177
215 1 4 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.092 -0.161 19177
216 1 4 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.510 0.496 19177
217 1 4 . 1 1 9 9 ARG CB C 9 28.248 28.248 27.752 0.496 19177
218 1 4 . 1 1 9 9 ARG H H 9 9.392 9.392 9.162 0.230 19177
219 1 4 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.896 0.426 19177
220 1 4 . 1 1 10 10 GLY H H 10 8.630 8.630 8.395 0.235 19177
221 1 4 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.918 0.066 19177
222 1 4 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.308 -1.274 19177
223 1 4 . 1 1 11 11 ASP CB C 11 39.254 39.254 43.486 -4.232 19177
224 1 4 . 1 1 11 11 ASP H H 11 7.920 7.920 7.761 0.159 19177
225 1 4 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.067 0.311 19177
226 1 4 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.192 -2.528 19177
227 1 4 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.578 18.727 19177
228 1 4 . 1 1 12 12 CYS H H 12 8.880 8.880 8.847 0.033 19177
229 1 4 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.730 -0.041 19177
230 1 4 . 1 1 13 13 ARG CA C 13 54.375 54.375 53.850 0.525 19177
231 1 4 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.624 -0.648 19177
232 1 4 . 1 1 13 13 ARG H H 13 8.714 8.714 9.032 -0.318 19177
233 1 4 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.160 0.333 19177
234 1 4 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.403 -2.722 19177
235 1 4 . 1 1 14 14 CYS CB C 14 47.761 47.761 28.745 19.016 19177
236 1 4 . 1 1 14 14 CYS H H 14 9.053 9.053 8.827 0.226 19177
237 1 4 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.410 -0.015 19177
238 1 4 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.222 1.124 19177
239 1 4 . 1 1 15 15 ILE CB C 15 40.268 40.268 39.371 0.897 19177
240 1 4 . 1 1 15 15 ILE H H 15 8.778 8.778 9.342 -0.564 19177
241 1 4 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.117 0.382 19177
242 1 4 . 1 1 16 16 CYS CA C 16 55.542 55.542 58.005 -2.463 19177
243 1 4 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.419 19.215 19177
244 1 4 . 1 1 16 16 CYS H H 16 9.122 9.122 9.123 -0.001 19177
245 1 4 . 1 1 17 17 THR HA H 17 4.449 4.449 4.588 -0.139 19177
246 1 4 . 1 1 17 17 THR CA C 17 61.182 61.182 61.855 -0.673 19177
247 1 4 . 1 1 17 17 THR CB C 17 70.161 70.161 69.110 1.051 19177
248 1 4 . 1 1 17 17 THR H H 17 8.617 8.617 9.188 -0.571 19177
249 1 5 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.963 0.007 19177
250 1 5 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.022 -1.099 19177
251 1 5 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.597 -4.624 19177
252 1 5 . 1 1 2 2 ASP H H 2 7.937 7.937 7.855 0.082 19177
253 1 5 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.050 0.335 19177
254 1 5 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.425 -2.626 19177
255 1 5 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.322 19.049 19177
256 1 5 . 1 1 3 3 CYS H H 3 8.868 8.868 8.881 -0.013 19177
257 1 5 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.747 -0.075 19177
258 1 5 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.233 0.818 19177
259 1 5 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.370 -0.175 19177
260 1 5 . 1 1 4 4 ARG H H 4 8.619 8.619 9.101 -0.482 19177
261 1 5 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.097 0.385 19177
262 1 5 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.513 -2.991 19177
263 1 5 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.312 19.948 19177
264 1 5 . 1 1 5 5 CYS H H 5 9.041 9.041 8.856 0.185 19177
265 1 5 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.882 -0.204 19177
266 1 5 . 1 1 6 6 LEU CA C 6 54.684 54.684 54.128 0.556 19177
267 1 5 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.873 -1.760 19177
268 1 5 . 1 1 6 6 LEU H H 6 8.701 8.701 9.219 -0.518 19177
269 1 5 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.228 0.225 19177
270 1 5 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.528 -2.186 19177
271 1 5 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.528 19.030 19177
272 1 5 . 1 1 7 7 CYS H H 7 9.050 9.050 8.521 0.529 19177
273 1 5 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.586 -0.058 19177
274 1 5 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.296 0.297 19177
275 1 5 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.838 0.388 19177
276 1 5 . 1 1 8 8 ARG H H 8 8.589 8.589 8.920 -0.331 19177
277 1 5 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.058 -0.127 19177
278 1 5 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.885 0.121 19177
279 1 5 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.250 -0.002 19177
280 1 5 . 1 1 9 9 ARG H H 9 9.392 9.392 9.363 0.029 19177
281 1 5 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.745 0.577 19177
282 1 5 . 1 1 10 10 GLY H H 10 8.630 8.630 8.194 0.436 19177
283 1 5 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.759 0.225 19177
284 1 5 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.486 -1.452 19177
285 1 5 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.158 -1.904 19177
286 1 5 . 1 1 11 11 ASP H H 11 7.920 7.920 7.773 0.147 19177
287 1 5 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.099 0.279 19177
288 1 5 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.218 -2.554 19177
289 1 5 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.619 18.686 19177
290 1 5 . 1 1 12 12 CYS H H 12 8.880 8.880 8.657 0.223 19177
291 1 5 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.743 -0.054 19177
292 1 5 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.601 -1.226 19177
293 1 5 . 1 1 13 13 ARG CB C 13 31.976 31.976 34.284 -2.308 19177
294 1 5 . 1 1 13 13 ARG H H 13 8.714 8.714 9.313 -0.599 19177
295 1 5 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.095 0.398 19177
296 1 5 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.100 -2.419 19177
297 1 5 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.624 20.137 19177
298 1 5 . 1 1 14 14 CYS H H 14 9.053 9.053 8.646 0.407 19177
299 1 5 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.359 0.036 19177
300 1 5 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.525 -0.179 19177
301 1 5 . 1 1 15 15 ILE CB C 15 40.268 40.268 39.911 0.357 19177
302 1 5 . 1 1 15 15 ILE H H 15 8.778 8.778 9.199 -0.421 19177
303 1 5 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.272 0.227 19177
304 1 5 . 1 1 16 16 CYS CA C 16 55.542 55.542 58.035 -2.493 19177
305 1 5 . 1 1 16 16 CYS CB C 16 47.634 47.634 27.360 20.274 19177
306 1 5 . 1 1 16 16 CYS H H 16 9.122 9.122 8.972 0.150 19177
307 1 5 . 1 1 17 17 THR HA H 17 4.449 4.449 4.711 -0.262 19177
308 1 5 . 1 1 17 17 THR CA C 17 61.182 61.182 61.610 -0.428 19177
309 1 5 . 1 1 17 17 THR CB C 17 70.161 70.161 71.741 -1.580 19177
310 1 5 . 1 1 17 17 THR H H 17 8.617 8.617 9.064 -0.447 19177
311 1 6 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.998 -0.028 19177
312 1 6 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.748 -1.825 19177
313 1 6 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.501 -4.528 19177
314 1 6 . 1 1 2 2 ASP H H 2 7.937 7.937 8.173 -0.236 19177
315 1 6 . 1 1 3 3 CYS HA H 3 5.385 5.385 4.975 0.410 19177
316 1 6 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.057 -2.258 19177
317 1 6 . 1 1 3 3 CYS CB C 3 46.371 46.371 29.247 17.123 19177
318 1 6 . 1 1 3 3 CYS H H 3 8.868 8.868 8.834 0.034 19177
319 1 6 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.676 -0.004 19177
320 1 6 . 1 1 4 4 ARG CA C 4 55.052 55.052 53.603 1.449 19177
321 1 6 . 1 1 4 4 ARG CB C 4 32.195 32.195 29.940 2.255 19177
322 1 6 . 1 1 4 4 ARG H H 4 8.619 8.619 9.174 -0.555 19177
323 1 6 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.281 0.201 19177
324 1 6 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.407 -2.885 19177
325 1 6 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.244 20.017 19177
326 1 6 . 1 1 5 5 CYS H H 5 9.041 9.041 8.908 0.133 19177
327 1 6 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.840 -0.162 19177
328 1 6 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.688 0.996 19177
329 1 6 . 1 1 6 6 LEU CB C 6 44.113 44.113 46.498 -2.385 19177
330 1 6 . 1 1 6 6 LEU H H 6 8.701 8.701 9.372 -0.671 19177
331 1 6 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.154 0.299 19177
332 1 6 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.702 -2.360 19177
333 1 6 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.765 19.793 19177
334 1 6 . 1 1 7 7 CYS H H 7 9.050 9.050 8.574 0.476 19177
335 1 6 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.602 -0.074 19177
336 1 6 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.097 1.496 19177
337 1 6 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.079 1.147 19177
338 1 6 . 1 1 8 8 ARG H H 8 8.589 8.589 9.053 -0.464 19177
339 1 6 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.016 -0.085 19177
340 1 6 . 1 1 9 9 ARG CA C 9 57.006 57.006 57.004 0.002 19177
341 1 6 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.331 -0.083 19177
342 1 6 . 1 1 9 9 ARG H H 9 9.392 9.392 9.238 0.154 19177
343 1 6 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.726 0.596 19177
344 1 6 . 1 1 10 10 GLY H H 10 8.630 8.630 8.398 0.232 19177
345 1 6 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.921 0.063 19177
346 1 6 . 1 1 11 11 ASP CA C 11 52.034 52.034 52.740 -0.706 19177
347 1 6 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.925 -2.671 19177
348 1 6 . 1 1 11 11 ASP H H 11 7.920 7.920 7.747 0.173 19177
349 1 6 . 1 1 12 12 CYS HA H 12 5.378 5.378 4.944 0.434 19177
350 1 6 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.703 -3.039 19177
351 1 6 . 1 1 12 12 CYS CB C 12 46.305 46.305 26.769 19.536 19177
352 1 6 . 1 1 12 12 CYS H H 12 8.880 8.880 9.041 -0.161 19177
353 1 6 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.756 -0.067 19177
354 1 6 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.439 -1.064 19177
355 1 6 . 1 1 13 13 ARG CB C 13 31.976 31.976 34.514 -2.538 19177
356 1 6 . 1 1 13 13 ARG H H 13 8.714 8.714 9.250 -0.536 19177
357 1 6 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.050 0.443 19177
358 1 6 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.444 -2.763 19177
359 1 6 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.446 20.315 19177
360 1 6 . 1 1 14 14 CYS H H 14 9.053 9.053 8.941 0.112 19177
361 1 6 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.371 0.024 19177
362 1 6 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.586 -0.240 19177
363 1 6 . 1 1 15 15 ILE CB C 15 40.268 40.268 39.882 0.386 19177
364 1 6 . 1 1 15 15 ILE H H 15 8.778 8.778 9.159 -0.381 19177
365 1 6 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.483 0.016 19177
366 1 6 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.741 -2.199 19177
367 1 6 . 1 1 16 16 CYS CB C 16 47.634 47.634 29.273 18.361 19177
368 1 6 . 1 1 16 16 CYS H H 16 9.122 9.122 8.953 0.169 19177
369 1 6 . 1 1 17 17 THR HA H 17 4.449 4.449 4.693 -0.244 19177
370 1 6 . 1 1 17 17 THR CA C 17 61.182 61.182 61.779 -0.597 19177
371 1 6 . 1 1 17 17 THR CB C 17 70.161 70.161 71.406 -1.245 19177
372 1 6 . 1 1 17 17 THR H H 17 8.617 8.617 9.273 -0.656 19177
373 1 7 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.939 0.031 19177
374 1 7 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.036 -1.113 19177
375 1 7 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.062 -4.089 19177
376 1 7 . 1 1 2 2 ASP H H 2 7.937 7.937 7.873 0.064 19177
377 1 7 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.113 0.272 19177
378 1 7 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.098 -2.299 19177
379 1 7 . 1 1 3 3 CYS CB C 3 46.371 46.371 28.124 18.247 19177
380 1 7 . 1 1 3 3 CYS H H 3 8.868 8.868 8.833 0.035 19177
381 1 7 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.754 -0.082 19177
382 1 7 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.134 0.918 19177
383 1 7 . 1 1 4 4 ARG CB C 4 32.195 32.195 33.010 -0.815 19177
384 1 7 . 1 1 4 4 ARG H H 4 8.619 8.619 9.186 -0.567 19177
385 1 7 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.129 0.353 19177
386 1 7 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.672 -3.150 19177
387 1 7 . 1 1 5 5 CYS CB C 5 47.261 47.261 26.625 20.636 19177
388 1 7 . 1 1 5 5 CYS H H 5 9.041 9.041 8.828 0.213 19177
389 1 7 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.797 -0.119 19177
390 1 7 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.654 1.030 19177
391 1 7 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.994 -1.881 19177
392 1 7 . 1 1 6 6 LEU H H 6 8.701 8.701 9.277 -0.576 19177
393 1 7 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.038 0.415 19177
394 1 7 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.941 -2.599 19177
395 1 7 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.118 19.440 19177
396 1 7 . 1 1 7 7 CYS H H 7 9.050 9.050 8.859 0.191 19177
397 1 7 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.586 -0.058 19177
398 1 7 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.089 0.504 19177
399 1 7 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.111 1.115 19177
400 1 7 . 1 1 8 8 ARG H H 8 8.589 8.589 9.058 -0.469 19177
401 1 7 . 1 1 9 9 ARG HA H 9 3.931 3.931 3.993 -0.062 19177
402 1 7 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.858 0.148 19177
403 1 7 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.147 0.101 19177
404 1 7 . 1 1 9 9 ARG H H 9 9.392 9.392 9.263 0.129 19177
405 1 7 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.783 0.539 19177
406 1 7 . 1 1 10 10 GLY H H 10 8.630 8.630 8.141 0.489 19177
407 1 7 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.775 0.209 19177
408 1 7 . 1 1 11 11 ASP CA C 11 52.034 52.034 54.437 -2.403 19177
409 1 7 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.106 -1.852 19177
410 1 7 . 1 1 11 11 ASP H H 11 7.920 7.920 8.045 -0.125 19177
411 1 7 . 1 1 12 12 CYS HA H 12 5.378 5.378 4.909 0.469 19177
412 1 7 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.315 -2.651 19177
413 1 7 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.652 18.653 19177
414 1 7 . 1 1 12 12 CYS H H 12 8.880 8.880 8.793 0.088 19177
415 1 7 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.726 -0.037 19177
416 1 7 . 1 1 13 13 ARG CA C 13 54.375 54.375 53.202 1.173 19177
417 1 7 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.562 -0.586 19177
418 1 7 . 1 1 13 13 ARG H H 13 8.714 8.714 9.246 -0.532 19177
419 1 7 . 1 1 14 14 CYS HA H 14 5.493 5.493 4.902 0.591 19177
420 1 7 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.998 -3.317 19177
421 1 7 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.532 21.229 19177
422 1 7 . 1 1 14 14 CYS H H 14 9.053 9.053 8.932 0.121 19177
423 1 7 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.363 0.032 19177
424 1 7 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.584 -0.238 19177
425 1 7 . 1 1 15 15 ILE CB C 15 40.268 40.268 40.575 -0.307 19177
426 1 7 . 1 1 15 15 ILE H H 15 8.778 8.778 9.115 -0.337 19177
427 1 7 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.346 0.153 19177
428 1 7 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.855 -2.313 19177
429 1 7 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.093 19.541 19177
430 1 7 . 1 1 16 16 CYS H H 16 9.122 9.122 9.094 0.028 19177
431 1 7 . 1 1 17 17 THR HA H 17 4.449 4.449 4.605 -0.156 19177
432 1 7 . 1 1 17 17 THR CA C 17 61.182 61.182 61.722 -0.540 19177
433 1 7 . 1 1 17 17 THR CB C 17 70.161 70.161 70.783 -0.622 19177
434 1 7 . 1 1 17 17 THR H H 17 8.617 8.617 9.164 -0.547 19177
435 1 8 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.979 -0.009 19177
436 1 8 . 1 1 2 2 ASP CA C 2 51.923 51.923 52.833 -0.910 19177
437 1 8 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.292 -4.319 19177
438 1 8 . 1 1 2 2 ASP H H 2 7.937 7.937 7.962 -0.025 19177
439 1 8 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.105 0.280 19177
440 1 8 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.163 -2.364 19177
441 1 8 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.735 18.636 19177
442 1 8 . 1 1 3 3 CYS H H 3 8.868 8.868 8.919 -0.051 19177
443 1 8 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.714 -0.042 19177
444 1 8 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.769 0.283 19177
445 1 8 . 1 1 4 4 ARG CB C 4 32.195 32.195 33.792 -1.597 19177
446 1 8 . 1 1 4 4 ARG H H 4 8.619 8.619 9.286 -0.667 19177
447 1 8 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.101 0.381 19177
448 1 8 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.144 -2.622 19177
449 1 8 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.513 19.748 19177
450 1 8 . 1 1 5 5 CYS H H 5 9.041 9.041 8.581 0.460 19177
451 1 8 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.767 -0.089 19177
452 1 8 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.831 0.853 19177
453 1 8 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.700 -1.587 19177
454 1 8 . 1 1 6 6 LEU H H 6 8.701 8.701 9.317 -0.616 19177
455 1 8 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.138 0.315 19177
456 1 8 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.948 -2.606 19177
457 1 8 . 1 1 7 7 CYS CB C 7 47.558 47.558 29.013 18.545 19177
458 1 8 . 1 1 7 7 CYS H H 7 9.050 9.050 8.717 0.333 19177
459 1 8 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.634 -0.106 19177
460 1 8 . 1 1 8 8 ARG CA C 8 55.593 55.593 53.954 1.639 19177
461 1 8 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.246 0.980 19177
462 1 8 . 1 1 8 8 ARG H H 8 8.589 8.589 9.151 -0.562 19177
463 1 8 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.006 -0.075 19177
464 1 8 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.932 0.074 19177
465 1 8 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.574 -0.326 19177
466 1 8 . 1 1 9 9 ARG H H 9 9.392 9.392 9.229 0.163 19177
467 1 8 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.703 0.619 19177
468 1 8 . 1 1 10 10 GLY H H 10 8.630 8.630 8.115 0.515 19177
469 1 8 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.889 0.095 19177
470 1 8 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.250 -1.216 19177
471 1 8 . 1 1 11 11 ASP CB C 11 39.254 39.254 42.399 -3.145 19177
472 1 8 . 1 1 11 11 ASP H H 11 7.920 7.920 7.809 0.111 19177
473 1 8 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.199 0.179 19177
474 1 8 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.099 -2.435 19177
475 1 8 . 1 1 12 12 CYS CB C 12 46.305 46.305 28.625 17.680 19177
476 1 8 . 1 1 12 12 CYS H H 12 8.880 8.880 8.902 -0.022 19177
477 1 8 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.776 -0.087 19177
478 1 8 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.442 -0.067 19177
479 1 8 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.395 -1.419 19177
480 1 8 . 1 1 13 13 ARG H H 13 8.714 8.714 9.275 -0.561 19177
481 1 8 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.325 0.168 19177
482 1 8 . 1 1 14 14 CYS CA C 14 55.681 55.681 57.746 -2.066 19177
483 1 8 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.884 20.877 19177
484 1 8 . 1 1 14 14 CYS H H 14 9.053 9.053 8.841 0.212 19177
485 1 8 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.835 -0.440 19177
486 1 8 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.378 0.968 19177
487 1 8 . 1 1 15 15 ILE CB C 15 40.268 40.268 40.871 -0.603 19177
488 1 8 . 1 1 15 15 ILE H H 15 8.778 8.778 9.054 -0.276 19177
489 1 8 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.247 0.252 19177
490 1 8 . 1 1 16 16 CYS CA C 16 55.542 55.542 58.060 -2.518 19177
491 1 8 . 1 1 16 16 CYS CB C 16 47.634 47.634 29.025 18.609 19177
492 1 8 . 1 1 16 16 CYS H H 16 9.122 9.122 8.414 0.708 19177
493 1 8 . 1 1 17 17 THR HA H 17 4.449 4.449 4.658 -0.209 19177
494 1 8 . 1 1 17 17 THR CA C 17 61.182 61.182 61.635 -0.453 19177
495 1 8 . 1 1 17 17 THR CB C 17 70.161 70.161 70.677 -0.516 19177
496 1 8 . 1 1 17 17 THR H H 17 8.617 8.617 9.202 -0.585 19177
497 1 9 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.991 -0.021 19177
498 1 9 . 1 1 2 2 ASP CA C 2 51.923 51.923 52.834 -0.911 19177
499 1 9 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.724 -4.751 19177
500 1 9 . 1 1 2 2 ASP H H 2 7.937 7.937 7.916 0.021 19177
501 1 9 . 1 1 3 3 CYS HA H 3 5.385 5.385 4.793 0.592 19177
502 1 9 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.320 -2.521 19177
503 1 9 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.126 19.245 19177
504 1 9 . 1 1 3 3 CYS H H 3 8.868 8.868 8.905 -0.037 19177
505 1 9 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.796 -0.124 19177
506 1 9 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.467 0.585 19177
507 1 9 . 1 1 4 4 ARG CB C 4 32.195 32.195 34.291 -2.096 19177
508 1 9 . 1 1 4 4 ARG H H 4 8.619 8.619 8.952 -0.333 19177
509 1 9 . 1 1 5 5 CYS HA H 5 5.482 5.482 4.815 0.667 19177
510 1 9 . 1 1 5 5 CYS CA C 5 55.522 55.522 57.909 -2.387 19177
511 1 9 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.012 20.249 19177
512 1 9 . 1 1 5 5 CYS H H 5 9.041 9.041 8.631 0.410 19177
513 1 9 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.925 -0.247 19177
514 1 9 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.428 1.256 19177
515 1 9 . 1 1 6 6 LEU CB C 6 44.113 44.113 46.006 -1.893 19177
516 1 9 . 1 1 6 6 LEU H H 6 8.701 8.701 9.050 -0.349 19177
517 1 9 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.163 0.290 19177
518 1 9 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.791 -2.449 19177
519 1 9 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.202 19.356 19177
520 1 9 . 1 1 7 7 CYS H H 7 9.050 9.050 8.529 0.521 19177
521 1 9 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.540 -0.012 19177
522 1 9 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.096 0.497 19177
523 1 9 . 1 1 8 8 ARG CB C 8 32.226 32.226 30.973 1.253 19177
524 1 9 . 1 1 8 8 ARG H H 8 8.589 8.589 9.191 -0.602 19177
525 1 9 . 1 1 9 9 ARG HA H 9 3.931 3.931 3.994 -0.063 19177
526 1 9 . 1 1 9 9 ARG CA C 9 57.006 57.006 57.110 -0.104 19177
527 1 9 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.685 -0.437 19177
528 1 9 . 1 1 9 9 ARG H H 9 9.392 9.392 9.289 0.103 19177
529 1 9 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.601 0.721 19177
530 1 9 . 1 1 10 10 GLY H H 10 8.630 8.630 7.989 0.641 19177
531 1 9 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.806 0.178 19177
532 1 9 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.458 -1.423 19177
533 1 9 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.573 -2.319 19177
534 1 9 . 1 1 11 11 ASP H H 11 7.920 7.920 7.861 0.059 19177
535 1 9 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.172 0.206 19177
536 1 9 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.128 -2.464 19177
537 1 9 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.205 19.100 19177
538 1 9 . 1 1 12 12 CYS H H 12 8.880 8.880 8.885 -0.005 19177
539 1 9 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.692 -0.003 19177
540 1 9 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.605 -1.230 19177
541 1 9 . 1 1 13 13 ARG CB C 13 31.976 31.976 34.303 -2.327 19177
542 1 9 . 1 1 13 13 ARG H H 13 8.714 8.714 9.316 -0.602 19177
543 1 9 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.086 0.407 19177
544 1 9 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.049 -2.368 19177
545 1 9 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.627 21.134 19177
546 1 9 . 1 1 14 14 CYS H H 14 9.053 9.053 8.708 0.345 19177
547 1 9 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.491 -0.096 19177
548 1 9 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.331 1.015 19177
549 1 9 . 1 1 15 15 ILE CB C 15 40.268 40.268 42.072 -1.804 19177
550 1 9 . 1 1 15 15 ILE H H 15 8.778 8.778 9.187 -0.409 19177
551 1 9 . 1 1 16 16 CYS HA H 16 5.499 5.499 4.895 0.604 19177
552 1 9 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.867 -2.325 19177
553 1 9 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.334 19.300 19177
554 1 9 . 1 1 16 16 CYS H H 16 9.122 9.122 8.550 0.572 19177
555 1 9 . 1 1 17 17 THR HA H 17 4.449 4.449 4.630 -0.181 19177
556 1 9 . 1 1 17 17 THR CA C 17 61.182 61.182 61.766 -0.584 19177
557 1 9 . 1 1 17 17 THR CB C 17 70.161 70.161 71.517 -1.356 19177
558 1 9 . 1 1 17 17 THR H H 17 8.617 8.617 9.054 -0.437 19177
559 1 10 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.995 -0.025 19177
560 1 10 . 1 1 2 2 ASP CA C 2 51.923 51.923 52.954 -1.031 19177
561 1 10 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.859 -3.886 19177
562 1 10 . 1 1 2 2 ASP H H 2 7.937 7.937 7.959 -0.022 19177
563 1 10 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.143 0.242 19177
564 1 10 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.062 -2.263 19177
565 1 10 . 1 1 3 3 CYS CB C 3 46.371 46.371 28.155 18.216 19177
566 1 10 . 1 1 3 3 CYS H H 3 8.868 8.868 8.987 -0.119 19177
567 1 10 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.709 -0.037 19177
568 1 10 . 1 1 4 4 ARG CA C 4 55.052 55.052 55.006 0.046 19177
569 1 10 . 1 1 4 4 ARG CB C 4 32.195 32.195 34.375 -2.180 19177
570 1 10 . 1 1 4 4 ARG H H 4 8.619 8.619 9.257 -0.638 19177
571 1 10 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.156 0.326 19177
572 1 10 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.956 -3.433 19177
573 1 10 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.095 20.166 19177
574 1 10 . 1 1 5 5 CYS H H 5 9.041 9.041 8.852 0.189 19177
575 1 10 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.779 -0.101 19177
576 1 10 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.785 0.899 19177
577 1 10 . 1 1 6 6 LEU CB C 6 44.113 44.113 44.553 -0.441 19177
578 1 10 . 1 1 6 6 LEU H H 6 8.701 8.701 9.260 -0.559 19177
579 1 10 . 1 1 7 7 CYS HA H 7 5.453 5.453 4.997 0.456 19177
580 1 10 . 1 1 7 7 CYS CA C 7 55.342 55.342 58.179 -2.837 19177
581 1 10 . 1 1 7 7 CYS CB C 7 47.558 47.558 26.369 21.189 19177
582 1 10 . 1 1 7 7 CYS H H 7 9.050 9.050 9.062 -0.012 19177
583 1 10 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.502 0.026 19177
584 1 10 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.377 0.215 19177
585 1 10 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.365 0.861 19177
586 1 10 . 1 1 8 8 ARG H H 8 8.589 8.589 9.110 -0.521 19177
587 1 10 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.059 -0.128 19177
588 1 10 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.869 0.137 19177
589 1 10 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.088 0.160 19177
590 1 10 . 1 1 9 9 ARG H H 9 9.392 9.392 9.408 -0.016 19177
591 1 10 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.727 0.594 19177
592 1 10 . 1 1 10 10 GLY H H 10 8.630 8.630 8.213 0.417 19177
593 1 10 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.824 0.160 19177
594 1 10 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.526 -1.492 19177
595 1 10 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.851 -2.597 19177
596 1 10 . 1 1 11 11 ASP H H 11 7.920 7.920 7.798 0.122 19177
597 1 10 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.119 0.259 19177
598 1 10 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.139 -2.475 19177
599 1 10 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.608 18.697 19177
600 1 10 . 1 1 12 12 CYS H H 12 8.880 8.880 8.886 -0.006 19177
601 1 10 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.728 -0.039 19177
602 1 10 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.394 -0.019 19177
603 1 10 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.267 -0.291 19177
604 1 10 . 1 1 13 13 ARG H H 13 8.714 8.714 9.155 -0.441 19177
605 1 10 . 1 1 14 14 CYS HA H 14 5.493 5.493 4.977 0.516 19177
606 1 10 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.999 -3.318 19177
607 1 10 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.750 21.011 19177
608 1 10 . 1 1 14 14 CYS H H 14 9.053 9.053 8.955 0.098 19177
609 1 10 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.641 -0.246 19177
610 1 10 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.346 -0.000 19177
611 1 10 . 1 1 15 15 ILE CB C 15 40.268 40.268 42.641 -2.373 19177
612 1 10 . 1 1 15 15 ILE H H 15 8.778 8.778 9.055 -0.277 19177
613 1 10 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.306 0.193 19177
614 1 10 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.929 -2.387 19177
615 1 10 . 1 1 16 16 CYS CB C 16 47.634 47.634 29.600 18.034 19177
616 1 10 . 1 1 16 16 CYS H H 16 9.122 9.122 8.792 0.330 19177
617 1 10 . 1 1 17 17 THR HA H 17 4.449 4.449 4.615 -0.166 19177
618 1 10 . 1 1 17 17 THR CA C 17 61.182 61.182 61.829 -0.647 19177
619 1 10 . 1 1 17 17 THR CB C 17 70.161 70.161 71.367 -1.206 19177
620 1 10 . 1 1 17 17 THR H H 17 8.617 8.617 9.177 -0.560 19177
621 1 11 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.975 -0.005 19177
622 1 11 . 1 1 2 2 ASP CA C 2 51.923 51.923 52.818 -0.895 19177
623 1 11 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.338 -4.365 19177
624 1 11 . 1 1 2 2 ASP H H 2 7.937 7.937 7.919 0.018 19177
625 1 11 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.145 0.240 19177
626 1 11 . 1 1 3 3 CYS CA C 3 55.799 55.799 57.826 -2.027 19177
627 1 11 . 1 1 3 3 CYS CB C 3 46.371 46.371 28.432 17.939 19177
628 1 11 . 1 1 3 3 CYS H H 3 8.868 8.868 8.815 0.053 19177
629 1 11 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.745 -0.073 19177
630 1 11 . 1 1 4 4 ARG CA C 4 55.052 55.052 53.283 1.769 19177
631 1 11 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.389 -0.194 19177
632 1 11 . 1 1 4 4 ARG H H 4 8.619 8.619 9.323 -0.704 19177
633 1 11 . 1 1 5 5 CYS HA H 5 5.482 5.482 4.875 0.607 19177
634 1 11 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.372 -2.850 19177
635 1 11 . 1 1 5 5 CYS CB C 5 47.261 47.261 28.530 18.730 19177
636 1 11 . 1 1 5 5 CYS H H 5 9.041 9.041 8.530 0.511 19177
637 1 11 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.909 -0.231 19177
638 1 11 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.923 0.760 19177
639 1 11 . 1 1 6 6 LEU CB C 6 44.113 44.113 46.877 -2.764 19177
640 1 11 . 1 1 6 6 LEU H H 6 8.701 8.701 9.178 -0.477 19177
641 1 11 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.364 0.089 19177
642 1 11 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.767 -2.425 19177
643 1 11 . 1 1 7 7 CYS CB C 7 47.558 47.558 29.163 18.395 19177
644 1 11 . 1 1 7 7 CYS H H 7 9.050 9.050 8.752 0.298 19177
645 1 11 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.699 -0.171 19177
646 1 11 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.132 0.461 19177
647 1 11 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.066 0.160 19177
648 1 11 . 1 1 8 8 ARG H H 8 8.589 8.589 9.186 -0.597 19177
649 1 11 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.010 -0.079 19177
650 1 11 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.734 0.272 19177
651 1 11 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.446 -0.198 19177
652 1 11 . 1 1 9 9 ARG H H 9 9.392 9.392 9.286 0.106 19177
653 1 11 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.684 0.638 19177
654 1 11 . 1 1 10 10 GLY H H 10 8.630 8.630 8.082 0.548 19177
655 1 11 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.795 0.189 19177
656 1 11 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.460 -1.426 19177
657 1 11 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.349 -2.095 19177
658 1 11 . 1 1 11 11 ASP H H 11 7.920 7.920 7.769 0.151 19177
659 1 11 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.265 0.113 19177
660 1 11 . 1 1 12 12 CYS CA C 12 55.664 55.664 57.983 -2.319 19177
661 1 11 . 1 1 12 12 CYS CB C 12 46.305 46.305 28.171 18.134 19177
662 1 11 . 1 1 12 12 CYS H H 12 8.880 8.880 8.719 0.161 19177
663 1 11 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.722 -0.033 19177
664 1 11 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.677 -1.302 19177
665 1 11 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.868 -1.892 19177
666 1 11 . 1 1 13 13 ARG H H 13 8.714 8.714 9.317 -0.603 19177
667 1 11 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.224 0.269 19177
668 1 11 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.230 -2.549 19177
669 1 11 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.739 20.022 19177
670 1 11 . 1 1 14 14 CYS H H 14 9.053 9.053 8.610 0.443 19177
671 1 11 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.640 -0.245 19177
672 1 11 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.127 0.219 19177
673 1 11 . 1 1 15 15 ILE CB C 15 40.268 40.268 42.116 -1.848 19177
674 1 11 . 1 1 15 15 ILE H H 15 8.778 8.778 9.206 -0.428 19177
675 1 11 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.445 0.054 19177
676 1 11 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.604 -2.062 19177
677 1 11 . 1 1 16 16 CYS CB C 16 47.634 47.634 29.313 18.321 19177
678 1 11 . 1 1 16 16 CYS H H 16 9.122 9.122 8.812 0.310 19177
679 1 11 . 1 1 17 17 THR HA H 17 4.449 4.449 4.635 -0.186 19177
680 1 11 . 1 1 17 17 THR CA C 17 61.182 61.182 61.904 -0.722 19177
681 1 11 . 1 1 17 17 THR CB C 17 70.161 70.161 71.185 -1.024 19177
682 1 11 . 1 1 17 17 THR H H 17 8.617 8.617 9.286 -0.669 19177
683 1 12 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.935 0.035 19177
684 1 12 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.096 -1.173 19177
685 1 12 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.620 -3.647 19177
686 1 12 . 1 1 2 2 ASP H H 2 7.937 7.937 8.092 -0.155 19177
687 1 12 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.009 0.376 19177
688 1 12 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.328 -2.530 19177
689 1 12 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.209 19.162 19177
690 1 12 . 1 1 3 3 CYS H H 3 8.868 8.868 9.004 -0.136 19177
691 1 12 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.709 -0.037 19177
692 1 12 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.197 0.855 19177
693 1 12 . 1 1 4 4 ARG CB C 4 32.195 32.195 31.412 0.783 19177
694 1 12 . 1 1 4 4 ARG H H 4 8.619 8.619 8.941 -0.322 19177
695 1 12 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.092 0.390 19177
696 1 12 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.120 -2.598 19177
697 1 12 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.324 19.937 19177
698 1 12 . 1 1 5 5 CYS H H 5 9.041 9.041 8.903 0.138 19177
699 1 12 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.847 -0.169 19177
700 1 12 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.956 0.728 19177
701 1 12 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.531 -1.418 19177
702 1 12 . 1 1 6 6 LEU H H 6 8.701 8.701 9.334 -0.633 19177
703 1 12 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.321 0.132 19177
704 1 12 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.561 -2.219 19177
705 1 12 . 1 1 7 7 CYS CB C 7 47.558 47.558 29.169 18.389 19177
706 1 12 . 1 1 7 7 CYS H H 7 9.050 9.050 8.557 0.493 19177
707 1 12 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.574 -0.046 19177
708 1 12 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.790 0.803 19177
709 1 12 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.590 0.636 19177
710 1 12 . 1 1 8 8 ARG H H 8 8.589 8.589 9.243 -0.654 19177
711 1 12 . 1 1 9 9 ARG HA H 9 3.931 3.931 3.978 -0.047 19177
712 1 12 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.954 0.052 19177
713 1 12 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.747 -0.499 19177
714 1 12 . 1 1 9 9 ARG H H 9 9.392 9.392 9.190 0.202 19177
715 1 12 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.799 0.523 19177
716 1 12 . 1 1 10 10 GLY H H 10 8.630 8.630 8.140 0.490 19177
717 1 12 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.834 0.150 19177
718 1 12 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.144 -1.109 19177
719 1 12 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.581 -2.327 19177
720 1 12 . 1 1 11 11 ASP H H 11 7.920 7.920 7.898 0.022 19177
721 1 12 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.130 0.248 19177
722 1 12 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.373 -2.709 19177
723 1 12 . 1 1 12 12 CYS CB C 12 46.305 46.305 28.788 17.517 19177
724 1 12 . 1 1 12 12 CYS H H 12 8.880 8.880 8.841 0.039 19177
725 1 12 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.788 -0.099 19177
726 1 12 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.233 0.142 19177
727 1 12 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.218 -1.242 19177
728 1 12 . 1 1 13 13 ARG H H 13 8.714 8.714 9.259 -0.545 19177
729 1 12 . 1 1 14 14 CYS HA H 14 5.493 5.493 4.704 0.789 19177
730 1 12 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.463 -2.782 19177
731 1 12 . 1 1 14 14 CYS CB C 14 47.761 47.761 28.788 18.973 19177
732 1 12 . 1 1 14 14 CYS H H 14 9.053 9.053 8.885 0.168 19177
733 1 12 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.314 0.081 19177
734 1 12 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.249 1.097 19177
735 1 12 . 1 1 15 15 ILE CB C 15 40.268 40.268 36.828 3.440 19177
736 1 12 . 1 1 15 15 ILE H H 15 8.778 8.778 8.964 -0.186 19177
737 1 12 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.341 0.158 19177
738 1 12 . 1 1 16 16 CYS CA C 16 55.542 55.542 58.078 -2.536 19177
739 1 12 . 1 1 16 16 CYS CB C 16 47.634 47.634 27.112 20.522 19177
740 1 12 . 1 1 16 16 CYS H H 16 9.122 9.122 8.835 0.287 19177
741 1 12 . 1 1 17 17 THR HA H 17 4.449 4.449 4.648 -0.199 19177
742 1 12 . 1 1 17 17 THR CA C 17 61.182 61.182 60.663 0.519 19177
743 1 12 . 1 1 17 17 THR CB C 17 70.161 70.161 69.959 0.202 19177
744 1 12 . 1 1 17 17 THR H H 17 8.617 8.617 9.139 -0.522 19177
745 1 13 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.871 0.099 19177
746 1 13 . 1 1 2 2 ASP CA C 2 51.923 51.923 54.330 -2.407 19177
747 1 13 . 1 1 2 2 ASP CB C 2 38.973 38.973 41.369 -2.396 19177
748 1 13 . 1 1 2 2 ASP H H 2 7.937 7.937 7.927 0.010 19177
749 1 13 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.071 0.314 19177
750 1 13 . 1 1 3 3 CYS CA C 3 55.799 55.799 57.820 -2.021 19177
751 1 13 . 1 1 3 3 CYS CB C 3 46.371 46.371 26.732 19.639 19177
752 1 13 . 1 1 3 3 CYS H H 3 8.868 8.868 8.918 -0.050 19177
753 1 13 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.822 -0.150 19177
754 1 13 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.320 0.732 19177
755 1 13 . 1 1 4 4 ARG CB C 4 32.195 32.195 31.942 0.253 19177
756 1 13 . 1 1 4 4 ARG H H 4 8.619 8.619 9.140 -0.521 19177
757 1 13 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.022 0.460 19177
758 1 13 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.061 -2.539 19177
759 1 13 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.462 19.799 19177
760 1 13 . 1 1 5 5 CYS H H 5 9.041 9.041 8.800 0.241 19177
761 1 13 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.930 -0.252 19177
762 1 13 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.625 1.059 19177
763 1 13 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.942 -1.829 19177
764 1 13 . 1 1 6 6 LEU H H 6 8.701 8.701 9.209 -0.508 19177
765 1 13 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.227 0.226 19177
766 1 13 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.849 -2.507 19177
767 1 13 . 1 1 7 7 CYS CB C 7 47.558 47.558 29.051 18.507 19177
768 1 13 . 1 1 7 7 CYS H H 7 9.050 9.050 8.462 0.588 19177
769 1 13 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.585 -0.057 19177
770 1 13 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.760 -0.167 19177
771 1 13 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.510 -0.284 19177
772 1 13 . 1 1 8 8 ARG H H 8 8.589 8.589 9.102 -0.513 19177
773 1 13 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.038 -0.107 19177
774 1 13 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.768 0.238 19177
775 1 13 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.584 -0.336 19177
776 1 13 . 1 1 9 9 ARG H H 9 9.392 9.392 9.246 0.146 19177
777 1 13 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.757 0.565 19177
778 1 13 . 1 1 10 10 GLY H H 10 8.630 8.630 8.152 0.478 19177
779 1 13 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.843 0.141 19177
780 1 13 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.437 -1.403 19177
781 1 13 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.576 -2.322 19177
782 1 13 . 1 1 11 11 ASP H H 11 7.920 7.920 7.842 0.078 19177
783 1 13 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.194 0.184 19177
784 1 13 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.153 -2.489 19177
785 1 13 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.726 18.579 19177
786 1 13 . 1 1 12 12 CYS H H 12 8.880 8.880 8.809 0.071 19177
787 1 13 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.797 -0.108 19177
788 1 13 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.771 -0.396 19177
789 1 13 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.983 -2.007 19177
790 1 13 . 1 1 13 13 ARG H H 13 8.714 8.714 9.238 -0.524 19177
791 1 13 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.220 0.274 19177
792 1 13 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.134 -2.453 19177
793 1 13 . 1 1 14 14 CYS CB C 14 47.761 47.761 28.523 19.238 19177
794 1 13 . 1 1 14 14 CYS H H 14 9.053 9.053 8.613 0.440 19177
795 1 13 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.633 -0.238 19177
796 1 13 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.903 0.443 19177
797 1 13 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.829 -1.561 19177
798 1 13 . 1 1 15 15 ILE H H 15 8.778 8.778 9.307 -0.529 19177
799 1 13 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.209 0.290 19177
800 1 13 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.976 -2.434 19177
801 1 13 . 1 1 16 16 CYS CB C 16 47.634 47.634 27.833 19.801 19177
802 1 13 . 1 1 16 16 CYS H H 16 9.122 9.122 8.913 0.209 19177
803 1 13 . 1 1 17 17 THR HA H 17 4.449 4.449 4.579 -0.130 19177
804 1 13 . 1 1 17 17 THR CA C 17 61.182 61.182 61.667 -0.485 19177
805 1 13 . 1 1 17 17 THR CB C 17 70.161 70.161 71.152 -0.991 19177
806 1 13 . 1 1 17 17 THR H H 17 8.617 8.617 9.085 -0.468 19177
807 1 14 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.960 0.010 19177
808 1 14 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.852 -1.929 19177
809 1 14 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.704 -3.731 19177
810 1 14 . 1 1 2 2 ASP H H 2 7.937 7.937 8.023 -0.086 19177
811 1 14 . 1 1 3 3 CYS HA H 3 5.385 5.385 4.967 0.418 19177
812 1 14 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.385 -2.586 19177
813 1 14 . 1 1 3 3 CYS CB C 3 46.371 46.371 26.980 19.391 19177
814 1 14 . 1 1 3 3 CYS H H 3 8.868 8.868 9.000 -0.132 19177
815 1 14 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.752 -0.080 19177
816 1 14 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.702 0.350 19177
817 1 14 . 1 1 4 4 ARG CB C 4 32.195 32.195 33.274 -1.079 19177
818 1 14 . 1 1 4 4 ARG H H 4 8.619 8.619 9.073 -0.454 19177
819 1 14 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.236 0.246 19177
820 1 14 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.943 -3.421 19177
821 1 14 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.623 19.638 19177
822 1 14 . 1 1 5 5 CYS H H 5 9.041 9.041 8.790 0.251 19177
823 1 14 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.880 -0.202 19177
824 1 14 . 1 1 6 6 LEU CA C 6 54.684 54.684 54.049 0.635 19177
825 1 14 . 1 1 6 6 LEU CB C 6 44.113 44.113 46.848 -2.735 19177
826 1 14 . 1 1 6 6 LEU H H 6 8.701 8.701 9.277 -0.576 19177
827 1 14 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.306 0.147 19177
828 1 14 . 1 1 7 7 CYS CA C 7 55.342 55.342 58.217 -2.875 19177
829 1 14 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.348 20.210 19177
830 1 14 . 1 1 7 7 CYS H H 7 9.050 9.050 8.709 0.341 19177
831 1 14 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.542 -0.014 19177
832 1 14 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.248 0.345 19177
833 1 14 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.922 -0.696 19177
834 1 14 . 1 1 8 8 ARG H H 8 8.589 8.589 9.256 -0.667 19177
835 1 14 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.050 -0.119 19177
836 1 14 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.593 0.413 19177
837 1 14 . 1 1 9 9 ARG CB C 9 28.248 28.248 27.712 0.536 19177
838 1 14 . 1 1 9 9 ARG H H 9 9.392 9.392 9.212 0.180 19177
839 1 14 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.797 0.524 19177
840 1 14 . 1 1 10 10 GLY H H 10 8.630 8.630 8.338 0.292 19177
841 1 14 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.901 0.083 19177
842 1 14 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.132 -1.098 19177
843 1 14 . 1 1 11 11 ASP CB C 11 39.254 39.254 43.543 -4.289 19177
844 1 14 . 1 1 11 11 ASP H H 11 7.920 7.920 7.830 0.090 19177
845 1 14 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.149 0.229 19177
846 1 14 . 1 1 12 12 CYS CA C 12 55.664 55.664 57.892 -2.228 19177
847 1 14 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.904 18.401 19177
848 1 14 . 1 1 12 12 CYS H H 12 8.880 8.880 8.750 0.130 19177
849 1 14 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.774 -0.085 19177
850 1 14 . 1 1 13 13 ARG CA C 13 54.375 54.375 53.423 0.952 19177
851 1 14 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.904 -0.928 19177
852 1 14 . 1 1 13 13 ARG H H 13 8.714 8.714 9.244 -0.530 19177
853 1 14 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.161 0.332 19177
854 1 14 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.672 -2.991 19177
855 1 14 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.947 19.814 19177
856 1 14 . 1 1 14 14 CYS H H 14 9.053 9.053 8.838 0.215 19177
857 1 14 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.620 -0.225 19177
858 1 14 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.952 0.395 19177
859 1 14 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.811 -1.543 19177
860 1 14 . 1 1 15 15 ILE H H 15 8.778 8.778 9.301 -0.523 19177
861 1 14 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.230 0.269 19177
862 1 14 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.895 -2.353 19177
863 1 14 . 1 1 16 16 CYS CB C 16 47.634 47.634 27.084 20.550 19177
864 1 14 . 1 1 16 16 CYS H H 16 9.122 9.122 9.025 0.097 19177
865 1 14 . 1 1 17 17 THR HA H 17 4.449 4.449 4.631 -0.182 19177
866 1 14 . 1 1 17 17 THR CA C 17 61.182 61.182 61.673 -0.491 19177
867 1 14 . 1 1 17 17 THR CB C 17 70.161 70.161 71.114 -0.953 19177
868 1 14 . 1 1 17 17 THR H H 17 8.617 8.617 9.012 -0.395 19177
869 1 15 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.935 0.035 19177
870 1 15 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.005 -1.081 19177
871 1 15 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.753 -3.780 19177
872 1 15 . 1 1 2 2 ASP H H 2 7.937 7.937 7.936 0.001 19177
873 1 15 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.061 0.324 19177
874 1 15 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.152 -2.353 19177
875 1 15 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.377 18.994 19177
876 1 15 . 1 1 3 3 CYS H H 3 8.868 8.868 8.990 -0.122 19177
877 1 15 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.717 -0.045 19177
878 1 15 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.739 0.313 19177
879 1 15 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.495 -0.300 19177
880 1 15 . 1 1 4 4 ARG H H 4 8.619 8.619 9.211 -0.592 19177
881 1 15 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.040 0.442 19177
882 1 15 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.862 -3.340 19177
883 1 15 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.518 19.743 19177
884 1 15 . 1 1 5 5 CYS H H 5 9.041 9.041 8.855 0.186 19177
885 1 15 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.806 -0.128 19177
886 1 15 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.996 0.688 19177
887 1 15 . 1 1 6 6 LEU CB C 6 44.113 44.113 44.916 -0.803 19177
888 1 15 . 1 1 6 6 LEU H H 6 8.701 8.701 9.193 -0.492 19177
889 1 15 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.336 0.117 19177
890 1 15 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.772 -2.430 19177
891 1 15 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.941 19.617 19177
892 1 15 . 1 1 7 7 CYS H H 7 9.050 9.050 8.999 0.051 19177
893 1 15 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.580 -0.052 19177
894 1 15 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.325 0.268 19177
895 1 15 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.704 0.522 19177
896 1 15 . 1 1 8 8 ARG H H 8 8.589 8.589 8.893 -0.304 19177
897 1 15 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.035 -0.104 19177
898 1 15 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.827 0.179 19177
899 1 15 . 1 1 9 9 ARG CB C 9 28.248 28.248 27.668 0.580 19177
900 1 15 . 1 1 9 9 ARG H H 9 9.392 9.392 9.332 0.060 19177
901 1 15 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.733 0.589 19177
902 1 15 . 1 1 10 10 GLY H H 10 8.630 8.630 8.304 0.326 19177
903 1 15 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.798 0.186 19177
904 1 15 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.478 -1.444 19177
905 1 15 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.179 -1.925 19177
906 1 15 . 1 1 11 11 ASP H H 11 7.920 7.920 7.814 0.106 19177
907 1 15 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.183 0.195 19177
908 1 15 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.273 -2.609 19177
909 1 15 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.420 18.885 19177
910 1 15 . 1 1 12 12 CYS H H 12 8.880 8.880 8.623 0.257 19177
911 1 15 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.684 0.005 19177
912 1 15 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.769 -0.394 19177
913 1 15 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.405 -0.429 19177
914 1 15 . 1 1 13 13 ARG H H 13 8.714 8.714 9.253 -0.539 19177
915 1 15 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.141 0.352 19177
916 1 15 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.664 -2.983 19177
917 1 15 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.714 21.047 19177
918 1 15 . 1 1 14 14 CYS H H 14 9.053 9.053 8.928 0.125 19177
919 1 15 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.457 -0.062 19177
920 1 15 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.313 0.033 19177
921 1 15 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.634 -1.366 19177
922 1 15 . 1 1 15 15 ILE H H 15 8.778 8.778 9.167 -0.389 19177
923 1 15 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.397 0.102 19177
924 1 15 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.756 -2.214 19177
925 1 15 . 1 1 16 16 CYS CB C 16 47.634 47.634 29.552 18.082 19177
926 1 15 . 1 1 16 16 CYS H H 16 9.122 9.122 8.772 0.350 19177
927 1 15 . 1 1 17 17 THR HA H 17 4.449 4.449 4.668 -0.219 19177
928 1 15 . 1 1 17 17 THR CA C 17 61.182 61.182 61.840 -0.658 19177
929 1 15 . 1 1 17 17 THR CB C 17 70.161 70.161 71.281 -1.120 19177
930 1 15 . 1 1 17 17 THR H H 17 8.617 8.617 9.098 -0.481 19177
931 1 16 . 1 1 2 2 ASP HA H 2 4.970 4.970 5.000 -0.030 19177
932 1 16 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.652 -1.729 19177
933 1 16 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.801 -3.829 19177
934 1 16 . 1 1 2 2 ASP H H 2 7.937 7.937 8.403 -0.466 19177
935 1 16 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.158 0.227 19177
936 1 16 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.183 -2.384 19177
937 1 16 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.876 18.495 19177
938 1 16 . 1 1 3 3 CYS H H 3 8.868 8.868 8.993 -0.125 19177
939 1 16 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.740 -0.068 19177
940 1 16 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.639 0.413 19177
941 1 16 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.430 -0.235 19177
942 1 16 . 1 1 4 4 ARG H H 4 8.619 8.619 9.312 -0.693 19177
943 1 16 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.114 0.368 19177
944 1 16 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.500 -2.978 19177
945 1 16 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.823 19.438 19177
946 1 16 . 1 1 5 5 CYS H H 5 9.041 9.041 8.831 0.210 19177
947 1 16 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.786 -0.108 19177
948 1 16 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.379 1.305 19177
949 1 16 . 1 1 6 6 LEU CB C 6 44.113 44.113 44.825 -0.713 19177
950 1 16 . 1 1 6 6 LEU H H 6 8.701 8.701 9.414 -0.713 19177
951 1 16 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.148 0.305 19177
952 1 16 . 1 1 7 7 CYS CA C 7 55.342 55.342 58.104 -2.762 19177
953 1 16 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.534 19.024 19177
954 1 16 . 1 1 7 7 CYS H H 7 9.050 9.050 8.983 0.067 19177
955 1 16 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.575 -0.047 19177
956 1 16 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.953 0.640 19177
957 1 16 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.224 1.002 19177
958 1 16 . 1 1 8 8 ARG H H 8 8.589 8.589 9.162 -0.573 19177
959 1 16 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.014 -0.083 19177
960 1 16 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.911 0.095 19177
961 1 16 . 1 1 9 9 ARG CB C 9 28.248 28.248 27.635 0.613 19177
962 1 16 . 1 1 9 9 ARG H H 9 9.392 9.392 9.389 0.003 19177
963 1 16 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.824 0.498 19177
964 1 16 . 1 1 10 10 GLY H H 10 8.630 8.630 8.418 0.212 19177
965 1 16 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.877 0.107 19177
966 1 16 . 1 1 11 11 ASP CA C 11 52.034 52.034 52.899 -0.865 19177
967 1 16 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.504 -2.250 19177
968 1 16 . 1 1 11 11 ASP H H 11 7.920 7.920 7.815 0.105 19177
969 1 16 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.201 0.177 19177
970 1 16 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.226 -2.562 19177
971 1 16 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.806 18.499 19177
972 1 16 . 1 1 12 12 CYS H H 12 8.880 8.880 8.927 -0.047 19177
973 1 16 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.788 -0.099 19177
974 1 16 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.884 -0.509 19177
975 1 16 . 1 1 13 13 ARG CB C 13 31.976 31.976 34.248 -2.272 19177
976 1 16 . 1 1 13 13 ARG H H 13 8.714 8.714 9.230 -0.516 19177
977 1 16 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.257 0.236 19177
978 1 16 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.284 -2.603 19177
979 1 16 . 1 1 14 14 CYS CB C 14 47.761 47.761 28.062 19.699 19177
980 1 16 . 1 1 14 14 CYS H H 14 9.053 9.053 8.577 0.476 19177
981 1 16 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.570 -0.175 19177
982 1 16 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.367 0.979 19177
983 1 16 . 1 1 15 15 ILE CB C 15 40.268 40.268 42.056 -1.788 19177
984 1 16 . 1 1 15 15 ILE H H 15 8.778 8.778 9.237 -0.459 19177
985 1 16 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.337 0.162 19177
986 1 16 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.790 -2.248 19177
987 1 16 . 1 1 16 16 CYS CB C 16 47.634 47.634 29.114 18.520 19177
988 1 16 . 1 1 16 16 CYS H H 16 9.122 9.122 8.931 0.191 19177
989 1 16 . 1 1 17 17 THR HA H 17 4.449 4.449 4.664 -0.215 19177
990 1 16 . 1 1 17 17 THR CA C 17 61.182 61.182 61.767 -0.585 19177
991 1 16 . 1 1 17 17 THR CB C 17 70.161 70.161 70.205 -0.044 19177
992 1 16 . 1 1 17 17 THR H H 17 8.617 8.617 9.182 -0.565 19177
993 1 17 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.993 -0.023 19177
994 1 17 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.708 -1.785 19177
995 1 17 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.139 -4.166 19177
996 1 17 . 1 1 2 2 ASP H H 2 7.937 7.937 8.072 -0.135 19177
997 1 17 . 1 1 3 3 CYS HA H 3 5.385 5.385 4.923 0.462 19177
998 1 17 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.179 -2.380 19177
999 1 17 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.437 18.934 19177
1000 1 17 . 1 1 3 3 CYS H H 3 8.868 8.868 8.930 -0.062 19177
1001 1 17 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.788 -0.116 19177
1002 1 17 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.297 0.755 19177
1003 1 17 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.177 0.018 19177
1004 1 17 . 1 1 4 4 ARG H H 4 8.619 8.619 9.050 -0.431 19177
1005 1 17 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.135 0.347 19177
1006 1 17 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.063 -2.542 19177
1007 1 17 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.345 19.916 19177
1008 1 17 . 1 1 5 5 CYS H H 5 9.041 9.041 8.652 0.389 19177
1009 1 17 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.809 -0.131 19177
1010 1 17 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.611 1.073 19177
1011 1 17 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.656 -1.543 19177
1012 1 17 . 1 1 6 6 LEU H H 6 8.701 8.701 9.216 -0.515 19177
1013 1 17 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.239 0.214 19177
1014 1 17 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.790 -2.448 19177
1015 1 17 . 1 1 7 7 CYS CB C 7 47.558 47.558 30.440 17.118 19177
1016 1 17 . 1 1 7 7 CYS H H 7 9.050 9.050 8.714 0.336 19177
1017 1 17 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.648 -0.120 19177
1018 1 17 . 1 1 8 8 ARG CA C 8 55.593 55.593 54.488 1.105 19177
1019 1 17 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.028 0.198 19177
1020 1 17 . 1 1 8 8 ARG H H 8 8.589 8.589 9.042 -0.453 19177
1021 1 17 . 1 1 9 9 ARG HA H 9 3.931 3.931 3.980 -0.049 19177
1022 1 17 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.892 0.115 19177
1023 1 17 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.787 -0.539 19177
1024 1 17 . 1 1 9 9 ARG H H 9 9.392 9.392 9.200 0.192 19177
1025 1 17 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.727 0.595 19177
1026 1 17 . 1 1 10 10 GLY H H 10 8.630 8.630 8.074 0.556 19177
1027 1 17 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.792 0.192 19177
1028 1 17 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.516 -1.482 19177
1029 1 17 . 1 1 11 11 ASP CB C 11 39.254 39.254 41.573 -2.319 19177
1030 1 17 . 1 1 11 11 ASP H H 11 7.920 7.920 7.821 0.099 19177
1031 1 17 . 1 1 12 12 CYS HA H 12 5.378 5.378 4.955 0.423 19177
1032 1 17 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.017 -2.353 19177
1033 1 17 . 1 1 12 12 CYS CB C 12 46.305 46.305 28.835 17.470 19177
1034 1 17 . 1 1 12 12 CYS H H 12 8.880 8.880 8.848 0.032 19177
1035 1 17 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.697 -0.008 19177
1036 1 17 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.543 -1.168 19177
1037 1 17 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.045 -1.069 19177
1038 1 17 . 1 1 13 13 ARG H H 13 8.714 8.714 9.271 -0.557 19177
1039 1 17 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.050 0.443 19177
1040 1 17 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.457 -2.776 19177
1041 1 17 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.026 21.735 19177
1042 1 17 . 1 1 14 14 CYS H H 14 9.053 9.053 8.666 0.387 19177
1043 1 17 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.515 -0.120 19177
1044 1 17 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.518 0.828 19177
1045 1 17 . 1 1 15 15 ILE CB C 15 40.268 40.268 42.032 -1.764 19177
1046 1 17 . 1 1 15 15 ILE H H 15 8.778 8.778 8.855 -0.077 19177
1047 1 17 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.085 0.414 19177
1048 1 17 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.798 -2.256 19177
1049 1 17 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.069 19.565 19177
1050 1 17 . 1 1 16 16 CYS H H 16 9.122 9.122 8.787 0.335 19177
1051 1 17 . 1 1 17 17 THR HA H 17 4.449 4.449 4.668 -0.219 19177
1052 1 17 . 1 1 17 17 THR CA C 17 61.182 61.182 61.684 -0.502 19177
1053 1 17 . 1 1 17 17 THR CB C 17 70.161 70.161 71.253 -1.092 19177
1054 1 17 . 1 1 17 17 THR H H 17 8.617 8.617 8.936 -0.319 19177
1055 1 18 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.958 0.012 19177
1056 1 18 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.195 -1.272 19177
1057 1 18 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.130 -4.157 19177
1058 1 18 . 1 1 2 2 ASP H H 2 7.937 7.937 8.125 -0.188 19177
1059 1 18 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.034 0.351 19177
1060 1 18 . 1 1 3 3 CYS CA C 3 55.799 55.799 57.717 -1.918 19177
1061 1 18 . 1 1 3 3 CYS CB C 3 46.371 46.371 29.834 16.537 19177
1062 1 18 . 1 1 3 3 CYS H H 3 8.868 8.868 8.864 0.004 19177
1063 1 18 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.720 -0.048 19177
1064 1 18 . 1 1 4 4 ARG CA C 4 55.052 55.052 55.323 -0.271 19177
1065 1 18 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.810 -0.615 19177
1066 1 18 . 1 1 4 4 ARG H H 4 8.619 8.619 9.322 -0.703 19177
1067 1 18 . 1 1 5 5 CYS HA H 5 5.482 5.482 4.877 0.605 19177
1068 1 18 . 1 1 5 5 CYS CA C 5 55.522 55.522 57.951 -2.429 19177
1069 1 18 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.206 20.055 19177
1070 1 18 . 1 1 5 5 CYS H H 5 9.041 9.041 8.605 0.436 19177
1071 1 18 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.941 -0.263 19177
1072 1 18 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.806 0.877 19177
1073 1 18 . 1 1 6 6 LEU CB C 6 44.113 44.113 44.302 -0.189 19177
1074 1 18 . 1 1 6 6 LEU H H 6 8.701 8.701 8.914 -0.213 19177
1075 1 18 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.300 0.153 19177
1076 1 18 . 1 1 7 7 CYS CA C 7 55.342 55.342 58.436 -3.094 19177
1077 1 18 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.994 18.564 19177
1078 1 18 . 1 1 7 7 CYS H H 7 9.050 9.050 8.431 0.619 19177
1079 1 18 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.544 -0.016 19177
1080 1 18 . 1 1 8 8 ARG CA C 8 55.593 55.593 56.034 -0.441 19177
1081 1 18 . 1 1 8 8 ARG CB C 8 32.226 32.226 33.062 -0.836 19177
1082 1 18 . 1 1 8 8 ARG H H 8 8.589 8.589 9.205 -0.616 19177
1083 1 18 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.082 -0.151 19177
1084 1 18 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.816 0.191 19177
1085 1 18 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.260 -0.012 19177
1086 1 18 . 1 1 9 9 ARG H H 9 9.392 9.392 9.288 0.104 19177
1087 1 18 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.682 0.640 19177
1088 1 18 . 1 1 10 10 GLY H H 10 8.630 8.630 8.292 0.338 19177
1089 1 18 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.954 0.030 19177
1090 1 18 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.017 -0.982 19177
1091 1 18 . 1 1 11 11 ASP CB C 11 39.254 39.254 43.505 -4.251 19177
1092 1 18 . 1 1 11 11 ASP H H 11 7.920 7.920 7.806 0.114 19177
1093 1 18 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.250 0.128 19177
1094 1 18 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.026 -2.362 19177
1095 1 18 . 1 1 12 12 CYS CB C 12 46.305 46.305 28.716 17.589 19177
1096 1 18 . 1 1 12 12 CYS H H 12 8.880 8.880 8.891 -0.011 19177
1097 1 18 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.727 -0.038 19177
1098 1 18 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.010 -0.635 19177
1099 1 18 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.167 -0.191 19177
1100 1 18 . 1 1 13 13 ARG H H 13 8.714 8.714 9.209 -0.495 19177
1101 1 18 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.051 0.442 19177
1102 1 18 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.476 -2.795 19177
1103 1 18 . 1 1 14 14 CYS CB C 14 47.761 47.761 26.435 21.326 19177
1104 1 18 . 1 1 14 14 CYS H H 14 9.053 9.053 8.708 0.345 19177
1105 1 18 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.618 -0.223 19177
1106 1 18 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.310 0.036 19177
1107 1 18 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.688 -1.419 19177
1108 1 18 . 1 1 15 15 ILE H H 15 8.778 8.778 8.954 -0.176 19177
1109 1 18 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.293 0.206 19177
1110 1 18 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.765 -2.223 19177
1111 1 18 . 1 1 16 16 CYS CB C 16 47.634 47.634 30.699 16.935 19177
1112 1 18 . 1 1 16 16 CYS H H 16 9.122 9.122 8.794 0.328 19177
1113 1 18 . 1 1 17 17 THR HA H 17 4.449 4.449 4.650 -0.201 19177
1114 1 18 . 1 1 17 17 THR CA C 17 61.182 61.182 61.823 -0.641 19177
1115 1 18 . 1 1 17 17 THR CB C 17 70.161 70.161 71.117 -0.956 19177
1116 1 18 . 1 1 17 17 THR H H 17 8.617 8.617 9.189 -0.572 19177
1117 1 19 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.971 -0.001 19177
1118 1 19 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.317 -1.394 19177
1119 1 19 . 1 1 2 2 ASP CB C 2 38.973 38.973 44.168 -5.195 19177
1120 1 19 . 1 1 2 2 ASP H H 2 7.937 7.937 7.996 -0.059 19177
1121 1 19 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.167 0.218 19177
1122 1 19 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.356 -2.558 19177
1123 1 19 . 1 1 3 3 CYS CB C 3 46.371 46.371 26.537 19.834 19177
1124 1 19 . 1 1 3 3 CYS H H 3 8.868 8.868 8.811 0.057 19177
1125 1 19 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.757 -0.085 19177
1126 1 19 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.263 0.789 19177
1127 1 19 . 1 1 4 4 ARG CB C 4 32.195 32.195 33.397 -1.202 19177
1128 1 19 . 1 1 4 4 ARG H H 4 8.619 8.619 9.250 -0.631 19177
1129 1 19 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.014 0.468 19177
1130 1 19 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.746 -3.224 19177
1131 1 19 . 1 1 5 5 CYS CB C 5 47.261 47.261 28.017 19.244 19177
1132 1 19 . 1 1 5 5 CYS H H 5 9.041 9.041 8.701 0.340 19177
1133 1 19 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.817 -0.139 19177
1134 1 19 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.865 0.819 19177
1135 1 19 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.105 -0.992 19177
1136 1 19 . 1 1 6 6 LEU H H 6 8.701 8.701 9.196 -0.495 19177
1137 1 19 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.339 0.114 19177
1138 1 19 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.672 -2.330 19177
1139 1 19 . 1 1 7 7 CYS CB C 7 47.558 47.558 27.689 19.869 19177
1140 1 19 . 1 1 7 7 CYS H H 7 9.050 9.050 8.901 0.149 19177
1141 1 19 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.550 -0.022 19177
1142 1 19 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.999 -0.406 19177
1143 1 19 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.807 -0.581 19177
1144 1 19 . 1 1 8 8 ARG H H 8 8.589 8.589 8.884 -0.295 19177
1145 1 19 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.074 -0.143 19177
1146 1 19 . 1 1 9 9 ARG CA C 9 57.006 57.006 57.105 -0.099 19177
1147 1 19 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.566 -0.318 19177
1148 1 19 . 1 1 9 9 ARG H H 9 9.392 9.392 9.246 0.146 19177
1149 1 19 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.658 0.663 19177
1150 1 19 . 1 1 10 10 GLY H H 10 8.630 8.630 8.106 0.524 19177
1151 1 19 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.882 0.102 19177
1152 1 19 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.322 -1.288 19177
1153 1 19 . 1 1 11 11 ASP CB C 11 39.254 39.254 42.259 -3.005 19177
1154 1 19 . 1 1 11 11 ASP H H 11 7.920 7.920 7.804 0.116 19177
1155 1 19 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.009 0.369 19177
1156 1 19 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.367 -2.703 19177
1157 1 19 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.484 18.821 19177
1158 1 19 . 1 1 12 12 CYS H H 12 8.880 8.880 8.923 -0.043 19177
1159 1 19 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.737 -0.048 19177
1160 1 19 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.496 -0.121 19177
1161 1 19 . 1 1 13 13 ARG CB C 13 31.976 31.976 32.922 -0.946 19177
1162 1 19 . 1 1 13 13 ARG H H 13 8.714 8.714 9.147 -0.433 19177
1163 1 19 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.270 0.223 19177
1164 1 19 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.595 -2.914 19177
1165 1 19 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.422 20.339 19177
1166 1 19 . 1 1 14 14 CYS H H 14 9.053 9.053 8.851 0.202 19177
1167 1 19 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.456 -0.061 19177
1168 1 19 . 1 1 15 15 ILE CA C 15 60.346 60.346 58.967 1.379 19177
1169 1 19 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.426 -1.158 19177
1170 1 19 . 1 1 15 15 ILE H H 15 8.778 8.778 9.378 -0.600 19177
1171 1 19 . 1 1 16 16 CYS HA H 16 5.499 5.499 4.986 0.513 19177
1172 1 19 . 1 1 16 16 CYS CA C 16 55.542 55.542 58.336 -2.793 19177
1173 1 19 . 1 1 16 16 CYS CB C 16 47.634 47.634 26.796 20.838 19177
1174 1 19 . 1 1 16 16 CYS H H 16 9.122 9.122 8.967 0.155 19177
1175 1 19 . 1 1 17 17 THR HA H 17 4.449 4.449 4.660 -0.211 19177
1176 1 19 . 1 1 17 17 THR CA C 17 61.182 61.182 61.471 -0.289 19177
1177 1 19 . 1 1 17 17 THR CB C 17 70.161 70.161 71.173 -1.012 19177
1178 1 19 . 1 1 17 17 THR H H 17 8.617 8.617 9.212 -0.595 19177
1179 1 20 . 1 1 2 2 ASP HA H 2 4.970 4.970 4.972 -0.002 19177
1180 1 20 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.123 -1.200 19177
1181 1 20 . 1 1 2 2 ASP CB C 2 38.973 38.973 43.887 -4.914 19177
1182 1 20 . 1 1 2 2 ASP H H 2 7.937 7.937 8.034 -0.097 19177
1183 1 20 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.056 0.329 19177
1184 1 20 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.035 -2.236 19177
1185 1 20 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.935 18.436 19177
1186 1 20 . 1 1 3 3 CYS H H 3 8.868 8.868 8.938 -0.070 19177
1187 1 20 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.755 -0.083 19177
1188 1 20 . 1 1 4 4 ARG CA C 4 55.052 55.052 55.092 -0.040 19177
1189 1 20 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.952 -0.757 19177
1190 1 20 . 1 1 4 4 ARG H H 4 8.619 8.619 9.240 -0.621 19177
1191 1 20 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.110 0.372 19177
1192 1 20 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.910 -3.388 19177
1193 1 20 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.028 20.233 19177
1194 1 20 . 1 1 5 5 CYS H H 5 9.041 9.041 8.911 0.130 19177
1195 1 20 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.868 -0.190 19177
1196 1 20 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.958 0.726 19177
1197 1 20 . 1 1 6 6 LEU CB C 6 44.113 44.113 46.569 -2.456 19177
1198 1 20 . 1 1 6 6 LEU H H 6 8.701 8.701 9.233 -0.532 19177
1199 1 20 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.289 0.164 19177
1200 1 20 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.799 -2.457 19177
1201 1 20 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.200 19.358 19177
1202 1 20 . 1 1 7 7 CYS H H 7 9.050 9.050 8.789 0.261 19177
1203 1 20 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.542 -0.014 19177
1204 1 20 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.991 -0.398 19177
1205 1 20 . 1 1 8 8 ARG CB C 8 32.226 32.226 32.658 -0.432 19177
1206 1 20 . 1 1 8 8 ARG H H 8 8.589 8.589 9.225 -0.636 19177
1207 1 20 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.072 -0.141 19177
1208 1 20 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.656 0.350 19177
1209 1 20 . 1 1 9 9 ARG CB C 9 28.248 28.248 27.888 0.360 19177
1210 1 20 . 1 1 9 9 ARG H H 9 9.392 9.392 9.314 0.078 19177
1211 1 20 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.722 0.600 19177
1212 1 20 . 1 1 10 10 GLY H H 10 8.630 8.630 8.315 0.315 19177
1213 1 20 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.929 0.055 19177
1214 1 20 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.069 -1.035 19177
1215 1 20 . 1 1 11 11 ASP CB C 11 39.254 39.254 43.254 -4.000 19177
1216 1 20 . 1 1 11 11 ASP H H 11 7.920 7.920 7.843 0.077 19177
1217 1 20 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.029 0.349 19177
1218 1 20 . 1 1 12 12 CYS CA C 12 55.664 55.664 57.942 -2.278 19177
1219 1 20 . 1 1 12 12 CYS CB C 12 46.305 46.305 28.480 17.825 19177
1220 1 20 . 1 1 12 12 CYS H H 12 8.880 8.880 8.915 -0.035 19177
1221 1 20 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.768 -0.079 19177
1222 1 20 . 1 1 13 13 ARG CA C 13 54.375 54.375 55.054 -0.680 19177
1223 1 20 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.331 -1.355 19177
1224 1 20 . 1 1 13 13 ARG H H 13 8.714 8.714 9.221 -0.507 19177
1225 1 20 . 1 1 14 14 CYS HA H 14 5.493 5.493 4.601 0.892 19177
1226 1 20 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.997 -3.316 19177
1227 1 20 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.065 20.696 19177
1228 1 20 . 1 1 14 14 CYS H H 14 9.053 9.053 8.992 0.061 19177
1229 1 20 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.429 -0.034 19177
1230 1 20 . 1 1 15 15 ILE CA C 15 60.346 60.346 60.289 0.056 19177
1231 1 20 . 1 1 15 15 ILE CB C 15 40.268 40.268 40.900 -0.632 19177
1232 1 20 . 1 1 15 15 ILE H H 15 8.778 8.778 8.996 -0.218 19177
1233 1 20 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.368 0.131 19177
1234 1 20 . 1 1 16 16 CYS CA C 16 55.542 55.542 58.122 -2.580 19177
1235 1 20 . 1 1 16 16 CYS CB C 16 47.634 47.634 27.508 20.126 19177
1236 1 20 . 1 1 16 16 CYS H H 16 9.122 9.122 9.036 0.086 19177
1237 1 20 . 1 1 17 17 THR HA H 17 4.449 4.449 4.673 -0.224 19177
1238 1 20 . 1 1 17 17 THR CA C 17 61.182 61.182 61.069 0.113 19177
1239 1 20 . 1 1 17 17 THR CB C 17 70.161 70.161 71.121 -0.960 19177
1240 1 20 . 1 1 17 17 THR H H 17 8.617 8.617 9.061 -0.444 19177
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 0 0.000 0.000 0.000 19177
2 1 1 "Average Difference" HA 17 0.241 -0.110 0.221 19177
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19177
4 1 1 "Average Difference" CA 16 1.682 0.825 1.514 19177
5 1 1 "Average Difference" CB 15 12.516 -7.232 10.573 19177
6 1 1 "Average Difference" HN 16 0.391 0.041 0.402 19177
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19177
8 1 2 "Average Difference" HA 17 0.230 -0.052 0.231 19177
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19177
10 1 2 "Average Difference" CA 16 1.670 0.967 1.406 19177
11 1 2 "Average Difference" CB 15 12.190 -6.840 10.444 19177
12 1 2 "Average Difference" HN 16 0.426 0.078 0.433 19177
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19177
14 1 3 "Average Difference" HA 17 0.230 -0.070 0.226 19177
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19177
16 1 3 "Average Difference" CA 16 1.652 1.070 1.299 19177
17 1 3 "Average Difference" CB 15 11.961 -6.549 10.359 19177
18 1 3 "Average Difference" HN 16 0.443 0.081 0.450 19177
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19177
20 1 4 "Average Difference" HA 17 0.254 -0.125 0.227 19177
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19177
22 1 4 "Average Difference" CA 16 1.802 0.915 1.604 19177
23 1 4 "Average Difference" CB 15 12.339 -7.274 10.317 19177
24 1 4 "Average Difference" HN 16 0.335 0.123 0.322 19177
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19177
26 1 5 "Average Difference" HA 17 0.259 -0.119 0.237 19177
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19177
28 1 5 "Average Difference" CA 16 1.689 1.080 1.341 19177
29 1 5 "Average Difference" CB 15 12.450 -7.034 10.632 19177
30 1 5 "Average Difference" HN 16 0.364 0.039 0.374 19177
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19177
32 1 6 "Average Difference" HA 17 0.257 -0.111 0.239 19177
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19177
34 1 6 "Average Difference" CA 16 1.799 0.962 1.569 19177
35 1 6 "Average Difference" CB 15 12.288 -7.032 10.431 19177
36 1 6 "Average Difference" HN 16 0.380 0.136 0.367 19177
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19177
38 1 7 "Average Difference" HA 17 0.285 -0.156 0.246 19177
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19177
40 1 7 "Average Difference" CA 16 1.880 1.019 1.631 19177
41 1 7 "Average Difference" CB 15 12.500 -7.254 10.537 19177
42 1 7 "Average Difference" HN 16 0.349 0.112 0.341 19177
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19177
44 1 8 "Average Difference" HA 17 0.251 -0.076 0.246 19177
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19177
46 1 8 "Average Difference" CA 16 1.642 0.801 1.480 19177
47 1 8 "Average Difference" CB 15 12.147 -6.771 10.439 19177
48 1 8 "Average Difference" HN 16 0.437 0.054 0.448 19177
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19177
50 1 9 "Average Difference" HA 17 0.332 -0.162 0.299 19177
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19177
52 1 9 "Average Difference" CA 16 1.650 0.918 1.416 19177
53 1 9 "Average Difference" CB 15 12.615 -6.844 10.970 19177
54 1 9 "Average Difference" HN 16 0.405 0.006 0.419 19177
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19177
56 1 10 "Average Difference" HA 17 0.272 -0.127 0.248 19177
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19177
58 1 10 "Average Difference" CA 16 1.815 1.126 1.471 19177
59 1 10 "Average Difference" CB 15 12.486 -7.024 10.685 19177
60 1 10 "Average Difference" HN 16 0.348 0.126 0.335 19177
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19177
62 1 11 "Average Difference" HA 17 0.251 -0.070 0.249 19177
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19177
64 1 11 "Average Difference" CA 16 1.653 0.904 1.430 19177
65 1 11 "Average Difference" CB 15 11.876 -6.488 10.296 19177
66 1 11 "Average Difference" HN 16 0.439 0.055 0.450 19177
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19177
68 1 12 "Average Difference" HA 17 0.290 -0.139 0.262 19177
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19177
70 1 12 "Average Difference" CA 16 1.693 0.809 1.536 19177
71 1 12 "Average Difference" CB 15 12.182 -7.362 10.047 19177
72 1 12 "Average Difference" HN 16 0.374 0.082 0.377 19177
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19177
74 1 13 "Average Difference" HA 17 0.257 -0.096 0.246 19177
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19177
76 1 13 "Average Difference" CA 16 1.684 1.017 1.386 19177
77 1 13 "Average Difference" CB 15 12.247 -6.939 10.445 19177
78 1 13 "Average Difference" HN 16 0.393 0.053 0.402 19177
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19177
80 1 14 "Average Difference" HA 17 0.247 -0.092 0.236 19177
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19177
82 1 14 "Average Difference" CA 16 1.827 1.022 1.564 19177
83 1 14 "Average Difference" CB 15 12.569 -6.839 10.915 19177
84 1 14 "Average Difference" HN 16 0.362 0.111 0.356 19177
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19177
86 1 15 "Average Difference" HA 17 0.233 -0.104 0.214 19177
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19177
88 1 15 "Average Difference" CA 16 1.733 1.090 1.392 19177
89 1 15 "Average Difference" CB 15 12.341 -7.183 10.388 19177
90 1 15 "Average Difference" HN 16 0.329 0.091 0.327 19177
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19177
92 1 16 "Average Difference" HA 17 0.217 -0.078 0.208 19177
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19177
94 1 16 "Average Difference" CA 16 1.740 0.956 1.501 19177
95 1 16 "Average Difference" CB 15 12.069 -6.944 10.218 19177
96 1 16 "Average Difference" HN 16 0.412 0.181 0.382 19177
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19177
98 1 17 "Average Difference" HA 17 0.288 -0.139 0.260 19177
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19177
100 1 17 "Average Difference" CA 16 1.722 0.951 1.482 19177
101 1 17 "Average Difference" CB 15 12.219 -6.831 10.487 19177
102 1 17 "Average Difference" HN 16 0.352 0.014 0.363 19177
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19177
104 1 18 "Average Difference" HA 17 0.275 -0.097 0.265 19177
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19177
106 1 18 "Average Difference" CA 16 1.627 1.083 1.255 19177
107 1 18 "Average Difference" CB 15 11.862 -6.559 10.231 19177
108 1 18 "Average Difference" HN 16 0.395 0.043 0.405 19177
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19177
110 1 19 "Average Difference" HA 17 0.258 -0.112 0.240 19177
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19177
112 1 19 "Average Difference" CA 16 1.828 1.029 1.560 19177
113 1 19 "Average Difference" CB 15 12.656 -6.969 10.936 19177
114 1 19 "Average Difference" HN 16 0.367 0.092 0.367 19177
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19177
116 1 20 "Average Difference" HA 17 0.315 -0.131 0.296 19177
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19177
118 1 20 "Average Difference" CA 16 1.759 1.110 1.409 19177
119 1 20 "Average Difference" CB 15 12.451 -6.769 10.817 19177
120 1 20 "Average Difference" HN 16 0.335 0.134 0.317 19177
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 19177
_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 ASP HA H 2 4.970 4.970 4.952 0.018 19177
2 1 . 1 1 2 2 ASP CA C 2 51.923 51.923 53.327 -1.404 19177
3 1 . 1 1 2 2 ASP CB C 2 38.973 38.973 42.839 -3.866 19177
4 1 . 1 1 2 2 ASP H H 2 7.937 7.937 8.029 -0.092 19177
5 1 . 1 1 3 3 CYS HA H 3 5.385 5.385 5.072 0.313 19177
6 1 . 1 1 3 3 CYS CA C 3 55.799 55.799 58.109 -2.310 19177
7 1 . 1 1 3 3 CYS CB C 3 46.371 46.371 27.768 18.603 19177
8 1 . 1 1 3 3 CYS H H 3 8.868 8.868 8.910 -0.042 19177
9 1 . 1 1 4 4 ARG HA H 4 4.672 4.672 4.747 -0.075 19177
10 1 . 1 1 4 4 ARG CA C 4 55.052 55.052 54.494 0.558 19177
11 1 . 1 1 4 4 ARG CB C 4 32.195 32.195 32.711 -0.516 19177
12 1 . 1 1 4 4 ARG H H 4 8.619 8.619 9.201 -0.582 19177
13 1 . 1 1 5 5 CYS HA H 5 5.482 5.482 5.080 0.402 19177
14 1 . 1 1 5 5 CYS CA C 5 55.522 55.522 58.427 -2.905 19177
15 1 . 1 1 5 5 CYS CB C 5 47.261 47.261 27.450 19.811 19177
16 1 . 1 1 5 5 CYS H H 5 9.041 9.041 8.763 0.278 19177
17 1 . 1 1 6 6 LEU HA H 6 4.678 4.678 4.860 -0.182 19177
18 1 . 1 1 6 6 LEU CA C 6 54.684 54.684 53.787 0.897 19177
19 1 . 1 1 6 6 LEU CB C 6 44.113 44.113 45.744 -1.631 19177
20 1 . 1 1 6 6 LEU H H 6 8.701 8.701 9.223 -0.522 19177
21 1 . 1 1 7 7 CYS HA H 7 5.453 5.453 5.240 0.213 19177
22 1 . 1 1 7 7 CYS CA C 7 55.342 55.342 57.907 -2.565 19177
23 1 . 1 1 7 7 CYS CB C 7 47.558 47.558 28.255 19.303 19177
24 1 . 1 1 7 7 CYS H H 7 9.050 9.050 8.725 0.325 19177
25 1 . 1 1 8 8 ARG HA H 8 4.528 4.528 4.578 -0.050 19177
26 1 . 1 1 8 8 ARG CA C 8 55.593 55.593 55.109 0.484 19177
27 1 . 1 1 8 8 ARG CB C 8 32.226 32.226 31.951 0.275 19177
28 1 . 1 1 8 8 ARG H H 8 8.589 8.589 9.105 -0.516 19177
29 1 . 1 1 9 9 ARG HA H 9 3.931 3.931 4.030 -0.100 19177
30 1 . 1 1 9 9 ARG CA C 9 57.006 57.006 56.855 0.151 19177
31 1 . 1 1 9 9 ARG CB C 9 28.248 28.248 28.286 -0.038 19177
32 1 . 1 1 9 9 ARG H H 9 9.392 9.392 9.272 0.120 19177
33 1 . 1 1 10 10 GLY CA C 10 45.322 45.322 44.727 0.595 19177
34 1 . 1 1 10 10 GLY H H 10 8.630 8.630 8.199 0.431 19177
35 1 . 1 1 11 11 ASP HA H 11 4.984 4.984 4.857 0.127 19177
36 1 . 1 1 11 11 ASP CA C 11 52.034 52.034 53.301 -1.267 19177
37 1 . 1 1 11 11 ASP CB C 11 39.254 39.254 42.047 -2.793 19177
38 1 . 1 1 11 11 ASP H H 11 7.920 7.920 7.825 0.096 19177
39 1 . 1 1 12 12 CYS HA H 12 5.378 5.378 5.111 0.267 19177
40 1 . 1 1 12 12 CYS CA C 12 55.664 55.664 58.183 -2.519 19177
41 1 . 1 1 12 12 CYS CB C 12 46.305 46.305 27.800 18.505 19177
42 1 . 1 1 12 12 CYS H H 12 8.880 8.880 8.846 0.034 19177
43 1 . 1 1 13 13 ARG HA H 13 4.689 4.689 4.743 -0.054 19177
44 1 . 1 1 13 13 ARG CA C 13 54.375 54.375 54.774 -0.399 19177
45 1 . 1 1 13 13 ARG CB C 13 31.976 31.976 33.367 -1.391 19177
46 1 . 1 1 13 13 ARG H H 13 8.714 8.714 9.230 -0.516 19177
47 1 . 1 1 14 14 CYS HA H 14 5.493 5.493 5.086 0.407 19177
48 1 . 1 1 14 14 CYS CA C 14 55.681 55.681 58.402 -2.721 19177
49 1 . 1 1 14 14 CYS CB C 14 47.761 47.761 27.463 20.298 19177
50 1 . 1 1 14 14 CYS H H 14 9.053 9.053 8.761 0.292 19177
51 1 . 1 1 15 15 ILE HA H 15 4.395 4.395 4.526 -0.131 19177
52 1 . 1 1 15 15 ILE CA C 15 60.346 60.346 59.866 0.480 19177
53 1 . 1 1 15 15 ILE CB C 15 40.268 40.268 41.160 -0.892 19177
54 1 . 1 1 15 15 ILE H H 15 8.778 8.778 9.150 -0.372 19177
55 1 . 1 1 16 16 CYS HA H 16 5.499 5.499 5.266 0.233 19177
56 1 . 1 1 16 16 CYS CA C 16 55.542 55.542 57.885 -2.343 19177
57 1 . 1 1 16 16 CYS CB C 16 47.634 47.634 28.539 19.095 19177
58 1 . 1 1 16 16 CYS H H 16 9.122 9.122 8.855 0.267 19177
59 1 . 1 1 17 17 THR HA H 17 4.449 4.449 4.645 -0.196 19177
60 1 . 1 1 17 17 THR CA C 17 61.182 61.182 61.636 -0.454 19177
61 1 . 1 1 17 17 THR CB C 17 70.161 70.161 70.870 -0.709 19177
62 1 . 1 1 17 17 THR H H 17 8.617 8.617 9.139 -0.522 19177
stop_
save_