data_26066
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26066
_Entry.PDB_ID 2NDN
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 26066
_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 ILE N N 2 121.057 121.057 122.710 -1.653 26066
2 1 1 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.340 -0.209 26066
3 1 1 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.364 0.473 26066
4 1 1 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.582 -2.048 26066
5 1 1 . 1 1 2 2 ILE H H 2 7.413 7.413 7.777 -0.364 26066
6 1 1 . 1 1 3 3 CYS N N 3 126.411 126.411 124.521 1.890 26066
7 1 1 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.744 0.904 26066
8 1 1 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.464 -2.840 26066
9 1 1 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.269 18.004 26066
10 1 1 . 1 1 3 3 CYS H H 3 8.642 8.642 8.709 -0.067 26066
11 1 1 . 1 1 4 4 PHE N N 4 121.069 121.069 123.775 -2.706 26066
12 1 1 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.007 -0.150 26066
13 1 1 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.968 0.000 26066
14 1 1 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.205 0.003 26066
15 1 1 . 1 1 4 4 PHE H H 4 8.979 8.979 8.359 0.620 26066
16 1 1 . 1 1 5 5 LYS N N 5 119.330 119.330 125.046 -5.716 26066
17 1 1 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.392 0.505 26066
18 1 1 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.194 -0.619 26066
19 1 1 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.152 -0.467 26066
20 1 1 . 1 1 5 5 LYS H H 5 8.420 8.420 8.549 -0.129 26066
21 1 1 . 1 1 6 6 ASP N N 6 127.302 127.302 126.202 1.100 26066
22 1 1 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.089 -0.331 26066
23 1 1 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.434 -0.025 26066
24 1 1 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.771 -1.186 26066
25 1 1 . 1 1 6 6 ASP H H 6 8.765 8.765 8.190 0.575 26066
26 1 1 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.396 -0.180 26066
27 1 1 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.618 0.064 26066
28 1 1 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.780 -0.284 26066
29 1 1 . 1 1 8 8 PHE N N 8 115.531 115.531 116.285 -0.754 26066
30 1 1 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.542 0.081 26066
31 1 1 . 1 1 8 8 PHE CA C 8 56.595 56.595 59.088 -2.493 26066
32 1 1 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.047 -0.552 26066
33 1 1 . 1 1 8 8 PHE H H 8 7.905 7.905 8.488 -0.583 26066
34 1 1 . 1 1 9 9 GLY N N 9 108.059 108.059 106.491 1.568 26066
35 1 1 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.712 0.520 26066
36 1 1 . 1 1 9 9 GLY H H 9 8.126 8.126 7.592 0.534 26066
37 1 1 . 1 1 10 10 SER HA H 10 4.581 4.581 4.578 0.003 26066
38 1 1 . 1 1 10 10 SER CA C 10 58.095 58.095 58.090 0.005 26066
39 1 1 . 1 1 10 10 SER H H 10 8.422 8.422 7.984 0.438 26066
40 1 1 . 1 1 11 11 THR N N 11 119.831 119.831 121.894 -2.063 26066
41 1 1 . 1 1 11 11 THR HA H 11 4.590 4.590 4.351 0.239 26066
42 1 1 . 1 1 11 11 THR CA C 11 62.893 62.893 62.283 0.610 26066
43 1 1 . 1 1 11 11 THR CB C 11 69.249 69.249 68.831 0.418 26066
44 1 1 . 1 1 11 11 THR H H 11 8.620 8.620 8.464 0.156 26066
45 1 1 . 1 1 12 12 LEU N N 12 130.204 130.204 128.821 1.383 26066
46 1 1 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.552 -0.021 26066
47 1 1 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.675 0.085 26066
48 1 1 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.713 -1.909 26066
49 1 1 . 1 1 12 12 LEU H H 12 8.771 8.771 7.750 1.021 26066
50 1 1 . 1 1 13 13 CYS N N 13 120.436 120.436 119.415 1.021 26066
51 1 1 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.668 0.510 26066
52 1 1 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.941 -2.645 26066
53 1 1 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.487 16.438 26066
54 1 1 . 1 1 13 13 CYS H H 13 8.621 8.621 8.407 0.214 26066
55 1 1 . 1 1 14 14 ALA N N 14 121.212 121.212 125.855 -4.643 26066
56 1 1 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.989 -0.220 26066
57 1 1 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.903 0.626 26066
58 1 1 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.915 -0.130 26066
59 1 1 . 1 1 14 14 ALA H H 14 8.455 8.455 8.850 -0.395 26066
60 1 1 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.366 -0.045 26066
61 1 1 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.781 1.141 26066
62 1 1 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.134 -0.503 26066
63 1 2 . 1 1 2 2 ILE N N 2 121.057 121.057 122.593 -1.536 26066
64 1 2 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.440 -0.309 26066
65 1 2 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.472 1.365 26066
66 1 2 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.673 -1.139 26066
67 1 2 . 1 1 2 2 ILE H H 2 7.413 7.413 7.786 -0.373 26066
68 1 2 . 1 1 3 3 CYS N N 3 126.411 126.411 127.451 -1.040 26066
69 1 2 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.567 1.081 26066
70 1 2 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.234 -2.610 26066
71 1 2 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.037 19.236 26066
72 1 2 . 1 1 3 3 CYS H H 3 8.642 8.642 8.976 -0.334 26066
73 1 2 . 1 1 4 4 PHE N N 4 121.069 121.069 124.182 -3.113 26066
74 1 2 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.953 -0.096 26066
75 1 2 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.794 0.174 26066
76 1 2 . 1 1 4 4 PHE CB C 4 41.208 41.208 40.855 0.353 26066
77 1 2 . 1 1 4 4 PHE H H 4 8.979 8.979 8.060 0.919 26066
78 1 2 . 1 1 5 5 LYS N N 5 119.330 119.330 123.875 -4.545 26066
79 1 2 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.464 0.433 26066
80 1 2 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.660 -1.085 26066
81 1 2 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.108 0.577 26066
82 1 2 . 1 1 5 5 LYS H H 5 8.420 8.420 8.466 -0.046 26066
83 1 2 . 1 1 6 6 ASP N N 6 127.302 127.302 126.167 1.135 26066
84 1 2 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.824 -0.066 26066
85 1 2 . 1 1 6 6 ASP CA C 6 52.408 52.408 53.773 -1.365 26066
86 1 2 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.691 -1.106 26066
87 1 2 . 1 1 6 6 ASP H H 6 8.765 8.765 8.058 0.707 26066
88 1 2 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.325 -0.109 26066
89 1 2 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.654 0.028 26066
90 1 2 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.537 -0.041 26066
91 1 2 . 1 1 8 8 PHE N N 8 115.531 115.531 117.566 -2.035 26066
92 1 2 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.541 0.082 26066
93 1 2 . 1 1 8 8 PHE CA C 8 56.595 56.595 57.995 -1.400 26066
94 1 2 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.749 -0.254 26066
95 1 2 . 1 1 8 8 PHE H H 8 7.905 7.905 7.831 0.074 26066
96 1 2 . 1 1 9 9 GLY N N 9 108.059 108.059 106.893 1.166 26066
97 1 2 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.822 0.411 26066
98 1 2 . 1 1 9 9 GLY H H 9 8.126 8.126 7.740 0.386 26066
99 1 2 . 1 1 10 10 SER HA H 10 4.581 4.581 4.618 -0.037 26066
100 1 2 . 1 1 10 10 SER CA C 10 58.095 58.095 58.767 -0.672 26066
101 1 2 . 1 1 10 10 SER H H 10 8.422 8.422 7.970 0.452 26066
102 1 2 . 1 1 11 11 THR N N 11 119.831 119.831 117.966 1.865 26066
103 1 2 . 1 1 11 11 THR HA H 11 4.590 4.590 4.465 0.125 26066
104 1 2 . 1 1 11 11 THR CA C 11 62.893 62.893 62.275 0.618 26066
105 1 2 . 1 1 11 11 THR CB C 11 69.249 69.249 69.327 -0.078 26066
106 1 2 . 1 1 11 11 THR H H 11 8.620 8.620 8.287 0.333 26066
107 1 2 . 1 1 12 12 LEU N N 12 130.204 130.204 128.347 1.857 26066
108 1 2 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.660 -0.129 26066
109 1 2 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.407 -0.647 26066
110 1 2 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.080 -2.276 26066
111 1 2 . 1 1 12 12 LEU H H 12 8.771 8.771 8.043 0.728 26066
112 1 2 . 1 1 13 13 CYS N N 13 120.436 120.436 120.795 -0.359 26066
113 1 2 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.900 0.278 26066
114 1 2 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.491 -2.195 26066
115 1 2 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.123 15.802 26066
116 1 2 . 1 1 13 13 CYS H H 13 8.621 8.621 8.283 0.338 26066
117 1 2 . 1 1 14 14 ALA N N 14 121.212 121.212 124.562 -3.350 26066
118 1 2 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.934 -0.165 26066
119 1 2 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.607 0.922 26066
120 1 2 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.181 -0.397 26066
121 1 2 . 1 1 14 14 ALA H H 14 8.455 8.455 8.604 -0.149 26066
122 1 2 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.376 -0.055 26066
123 1 2 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.642 1.280 26066
124 1 2 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.866 -0.235 26066
125 1 3 . 1 1 2 2 ILE N N 2 121.057 121.057 122.216 -1.159 26066
126 1 3 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.027 0.104 26066
127 1 3 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.534 -0.697 26066
128 1 3 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.624 -2.090 26066
129 1 3 . 1 1 2 2 ILE H H 2 7.413 7.413 7.631 -0.218 26066
130 1 3 . 1 1 3 3 CYS N N 3 126.411 126.411 123.109 3.302 26066
131 1 3 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.832 0.816 26066
132 1 3 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.339 -1.715 26066
133 1 3 . 1 1 3 3 CYS CB C 3 47.273 47.273 31.262 16.011 26066
134 1 3 . 1 1 3 3 CYS H H 3 8.642 8.642 8.122 0.520 26066
135 1 3 . 1 1 4 4 PHE N N 4 121.069 121.069 120.052 1.017 26066
136 1 3 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.914 -0.057 26066
137 1 3 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.301 -0.333 26066
138 1 3 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.598 -1.390 26066
139 1 3 . 1 1 4 4 PHE H H 4 8.979 8.979 9.049 -0.070 26066
140 1 3 . 1 1 5 5 LYS N N 5 119.330 119.330 120.777 -1.447 26066
141 1 3 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.601 0.296 26066
142 1 3 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.600 -1.025 26066
143 1 3 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.563 0.122 26066
144 1 3 . 1 1 5 5 LYS H H 5 8.420 8.420 8.480 -0.060 26066
145 1 3 . 1 1 6 6 ASP N N 6 127.302 127.302 126.208 1.094 26066
146 1 3 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.021 -0.263 26066
147 1 3 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.048 0.360 26066
148 1 3 . 1 1 6 6 ASP CB C 6 40.585 40.585 42.122 -1.537 26066
149 1 3 . 1 1 6 6 ASP H H 6 8.765 8.765 8.357 0.408 26066
150 1 3 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.377 -0.161 26066
151 1 3 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.653 0.029 26066
152 1 3 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.702 -0.206 26066
153 1 3 . 1 1 8 8 PHE N N 8 115.531 115.531 117.597 -2.066 26066
154 1 3 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.497 0.126 26066
155 1 3 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.441 -1.846 26066
156 1 3 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.015 -0.520 26066
157 1 3 . 1 1 8 8 PHE H H 8 7.905 7.905 8.251 -0.346 26066
158 1 3 . 1 1 9 9 GLY N N 9 108.059 108.059 107.660 0.399 26066
159 1 3 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.851 0.382 26066
160 1 3 . 1 1 9 9 GLY H H 9 8.126 8.126 7.670 0.456 26066
161 1 3 . 1 1 10 10 SER HA H 10 4.581 4.581 4.492 0.089 26066
162 1 3 . 1 1 10 10 SER CA C 10 58.095 58.095 59.095 -1.000 26066
163 1 3 . 1 1 10 10 SER H H 10 8.422 8.422 8.223 0.199 26066
164 1 3 . 1 1 11 11 THR N N 11 119.831 119.831 122.053 -2.222 26066
165 1 3 . 1 1 11 11 THR HA H 11 4.590 4.590 4.327 0.263 26066
166 1 3 . 1 1 11 11 THR CA C 11 62.893 62.893 62.377 0.517 26066
167 1 3 . 1 1 11 11 THR CB C 11 69.249 69.249 69.230 0.019 26066
168 1 3 . 1 1 11 11 THR H H 11 8.620 8.620 8.275 0.345 26066
169 1 3 . 1 1 12 12 LEU N N 12 130.204 130.204 130.690 -0.486 26066
170 1 3 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.609 -0.078 26066
171 1 3 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.338 -0.578 26066
172 1 3 . 1 1 12 12 LEU CB C 12 43.804 43.804 43.407 0.397 26066
173 1 3 . 1 1 12 12 LEU H H 12 8.771 8.771 8.364 0.407 26066
174 1 3 . 1 1 13 13 CYS N N 13 120.436 120.436 124.746 -4.310 26066
175 1 3 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.926 0.252 26066
176 1 3 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.649 -2.353 26066
177 1 3 . 1 1 13 13 CYS CB C 13 46.925 46.925 29.888 17.037 26066
178 1 3 . 1 1 13 13 CYS H H 13 8.621 8.621 8.723 -0.102 26066
179 1 3 . 1 1 14 14 ALA N N 14 121.212 121.212 127.243 -6.031 26066
180 1 3 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.921 -0.152 26066
181 1 3 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.516 1.013 26066
182 1 3 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.015 -0.231 26066
183 1 3 . 1 1 14 14 ALA H H 14 8.455 8.455 8.777 -0.322 26066
184 1 3 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.388 -0.067 26066
185 1 3 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.614 1.308 26066
186 1 3 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.878 -0.247 26066
187 1 4 . 1 1 2 2 ILE N N 2 121.057 121.057 122.136 -1.079 26066
188 1 4 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.143 -0.012 26066
189 1 4 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.406 0.431 26066
190 1 4 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.394 -1.860 26066
191 1 4 . 1 1 2 2 ILE H H 2 7.413 7.413 7.686 -0.273 26066
192 1 4 . 1 1 3 3 CYS N N 3 126.411 126.411 126.097 0.314 26066
193 1 4 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.595 1.053 26066
194 1 4 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.394 -2.769 26066
195 1 4 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.108 19.165 26066
196 1 4 . 1 1 3 3 CYS H H 3 8.642 8.642 8.669 -0.027 26066
197 1 4 . 1 1 4 4 PHE N N 4 121.069 121.069 124.105 -3.036 26066
198 1 4 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.847 0.010 26066
199 1 4 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.911 0.057 26066
200 1 4 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.681 -0.472 26066
201 1 4 . 1 1 4 4 PHE H H 4 8.979 8.979 8.935 0.044 26066
202 1 4 . 1 1 5 5 LYS N N 5 119.330 119.330 121.347 -2.017 26066
203 1 4 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.593 0.304 26066
204 1 4 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.757 -1.182 26066
205 1 4 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.357 0.328 26066
206 1 4 . 1 1 5 5 LYS H H 5 8.420 8.420 8.520 -0.100 26066
207 1 4 . 1 1 6 6 ASP N N 6 127.302 127.302 126.182 1.120 26066
208 1 4 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.834 -0.076 26066
209 1 4 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.507 -0.098 26066
210 1 4 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.813 -1.228 26066
211 1 4 . 1 1 6 6 ASP H H 6 8.765 8.765 8.009 0.756 26066
212 1 4 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.219 -0.003 26066
213 1 4 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.471 0.211 26066
214 1 4 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.624 -0.128 26066
215 1 4 . 1 1 8 8 PHE N N 8 115.531 115.531 117.721 -2.190 26066
216 1 4 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.517 0.106 26066
217 1 4 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.371 -1.776 26066
218 1 4 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.772 -0.277 26066
219 1 4 . 1 1 8 8 PHE H H 8 7.905 7.905 7.883 0.022 26066
220 1 4 . 1 1 9 9 GLY N N 9 108.059 108.059 105.965 2.094 26066
221 1 4 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.743 0.490 26066
222 1 4 . 1 1 9 9 GLY H H 9 8.126 8.126 7.531 0.595 26066
223 1 4 . 1 1 10 10 SER HA H 10 4.581 4.581 4.489 0.092 26066
224 1 4 . 1 1 10 10 SER CA C 10 58.095 58.095 59.529 -1.434 26066
225 1 4 . 1 1 10 10 SER H H 10 8.422 8.422 8.191 0.231 26066
226 1 4 . 1 1 11 11 THR N N 11 119.831 119.831 122.130 -2.299 26066
227 1 4 . 1 1 11 11 THR HA H 11 4.590 4.590 4.532 0.058 26066
228 1 4 . 1 1 11 11 THR CA C 11 62.893 62.893 62.357 0.536 26066
229 1 4 . 1 1 11 11 THR CB C 11 69.249 69.249 69.554 -0.305 26066
230 1 4 . 1 1 11 11 THR H H 11 8.620 8.620 8.349 0.271 26066
231 1 4 . 1 1 12 12 LEU N N 12 130.204 130.204 130.381 -0.177 26066
232 1 4 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.842 -0.311 26066
233 1 4 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.971 -0.211 26066
234 1 4 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.561 -0.757 26066
235 1 4 . 1 1 12 12 LEU H H 12 8.771 8.771 8.380 0.391 26066
236 1 4 . 1 1 13 13 CYS N N 13 120.436 120.436 124.045 -3.609 26066
237 1 4 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.108 0.070 26066
238 1 4 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.868 -2.572 26066
239 1 4 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.259 16.666 26066
240 1 4 . 1 1 13 13 CYS H H 13 8.621 8.621 8.789 -0.168 26066
241 1 4 . 1 1 14 14 ALA N N 14 121.212 121.212 125.920 -4.708 26066
242 1 4 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.964 -0.195 26066
243 1 4 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.625 0.904 26066
244 1 4 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.174 -0.390 26066
245 1 4 . 1 1 14 14 ALA H H 14 8.455 8.455 8.507 -0.052 26066
246 1 4 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.401 -0.080 26066
247 1 4 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.699 1.223 26066
248 1 4 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.904 -0.273 26066
249 1 5 . 1 1 2 2 ILE N N 2 121.057 121.057 122.209 -1.152 26066
250 1 5 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.318 -0.187 26066
251 1 5 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.699 0.138 26066
252 1 5 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.985 -2.451 26066
253 1 5 . 1 1 2 2 ILE H H 2 7.413 7.413 8.278 -0.865 26066
254 1 5 . 1 1 3 3 CYS N N 3 126.411 126.411 127.647 -1.236 26066
255 1 5 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.622 1.026 26066
256 1 5 . 1 1 3 3 CYS CA C 3 55.624 55.624 59.002 -3.378 26066
257 1 5 . 1 1 3 3 CYS CB C 3 47.273 47.273 26.380 20.893 26066
258 1 5 . 1 1 3 3 CYS H H 3 8.642 8.642 8.946 -0.304 26066
259 1 5 . 1 1 4 4 PHE N N 4 121.069 121.069 124.666 -3.597 26066
260 1 5 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.977 -0.120 26066
261 1 5 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.910 0.058 26066
262 1 5 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.464 -0.256 26066
263 1 5 . 1 1 4 4 PHE H H 4 8.979 8.979 7.848 1.131 26066
264 1 5 . 1 1 5 5 LYS N N 5 119.330 119.330 122.493 -3.163 26066
265 1 5 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.512 0.385 26066
266 1 5 . 1 1 5 5 LYS CA C 5 54.575 54.575 54.853 -0.278 26066
267 1 5 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.452 1.233 26066
268 1 5 . 1 1 5 5 LYS H H 5 8.420 8.420 8.401 0.019 26066
269 1 5 . 1 1 6 6 ASP N N 6 127.302 127.302 124.492 2.810 26066
270 1 5 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.732 0.026 26066
271 1 5 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.546 -0.138 26066
272 1 5 . 1 1 6 6 ASP CB C 6 40.585 40.585 40.628 -0.043 26066
273 1 5 . 1 1 6 6 ASP H H 6 8.765 8.765 8.470 0.295 26066
274 1 5 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.338 -0.122 26066
275 1 5 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.254 0.428 26066
276 1 5 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.612 -0.116 26066
277 1 5 . 1 1 8 8 PHE N N 8 115.531 115.531 116.593 -1.062 26066
278 1 5 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.540 0.083 26066
279 1 5 . 1 1 8 8 PHE CA C 8 56.595 56.595 59.105 -2.510 26066
280 1 5 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.026 -0.531 26066
281 1 5 . 1 1 8 8 PHE H H 8 7.905 7.905 8.207 -0.302 26066
282 1 5 . 1 1 9 9 GLY N N 9 108.059 108.059 107.314 0.745 26066
283 1 5 . 1 1 9 9 GLY CA C 9 45.233 45.233 45.034 0.199 26066
284 1 5 . 1 1 9 9 GLY H H 9 8.126 8.126 7.842 0.284 26066
285 1 5 . 1 1 10 10 SER HA H 10 4.581 4.581 4.640 -0.059 26066
286 1 5 . 1 1 10 10 SER CA C 10 58.095 58.095 57.393 0.702 26066
287 1 5 . 1 1 10 10 SER H H 10 8.422 8.422 8.412 0.010 26066
288 1 5 . 1 1 11 11 THR N N 11 119.831 119.831 118.437 1.394 26066
289 1 5 . 1 1 11 11 THR HA H 11 4.590 4.590 4.295 0.295 26066
290 1 5 . 1 1 11 11 THR CA C 11 62.893 62.893 62.484 0.409 26066
291 1 5 . 1 1 11 11 THR CB C 11 69.249 69.249 68.951 0.298 26066
292 1 5 . 1 1 11 11 THR H H 11 8.620 8.620 8.291 0.329 26066
293 1 5 . 1 1 12 12 LEU N N 12 130.204 130.204 128.234 1.970 26066
294 1 5 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.557 -0.026 26066
295 1 5 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.775 -0.015 26066
296 1 5 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.995 -2.191 26066
297 1 5 . 1 1 12 12 LEU H H 12 8.771 8.771 8.184 0.587 26066
298 1 5 . 1 1 13 13 CYS N N 13 120.436 120.436 118.634 1.802 26066
299 1 5 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.670 0.508 26066
300 1 5 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.921 -2.625 26066
301 1 5 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.073 15.852 26066
302 1 5 . 1 1 13 13 CYS H H 13 8.621 8.621 8.357 0.264 26066
303 1 5 . 1 1 14 14 ALA N N 14 121.212 121.212 124.612 -3.400 26066
304 1 5 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.990 -0.221 26066
305 1 5 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.759 0.770 26066
306 1 5 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.073 -0.289 26066
307 1 5 . 1 1 14 14 ALA H H 14 8.455 8.455 8.422 0.033 26066
308 1 5 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.344 -0.023 26066
309 1 5 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.808 1.114 26066
310 1 5 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.827 -0.196 26066
311 1 6 . 1 1 2 2 ILE N N 2 121.057 121.057 122.164 -1.107 26066
312 1 6 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.411 -0.280 26066
313 1 6 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.409 1.428 26066
314 1 6 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.204 -1.670 26066
315 1 6 . 1 1 2 2 ILE H H 2 7.413 7.413 7.720 -0.307 26066
316 1 6 . 1 1 3 3 CYS N N 3 126.411 126.411 127.030 -0.619 26066
317 1 6 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.624 1.024 26066
318 1 6 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.353 -2.729 26066
319 1 6 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.740 18.533 26066
320 1 6 . 1 1 3 3 CYS H H 3 8.642 8.642 8.953 -0.310 26066
321 1 6 . 1 1 4 4 PHE N N 4 121.069 121.069 123.297 -2.228 26066
322 1 6 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.936 -0.079 26066
323 1 6 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.100 -0.132 26066
324 1 6 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.156 0.052 26066
325 1 6 . 1 1 4 4 PHE H H 4 8.979 8.979 7.651 1.328 26066
326 1 6 . 1 1 5 5 LYS N N 5 119.330 119.330 124.072 -4.742 26066
327 1 6 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.370 0.527 26066
328 1 6 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.796 -1.221 26066
329 1 6 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.489 1.196 26066
330 1 6 . 1 1 5 5 LYS H H 5 8.420 8.420 8.513 -0.093 26066
331 1 6 . 1 1 6 6 ASP N N 6 127.302 127.302 125.973 1.329 26066
332 1 6 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.680 0.078 26066
333 1 6 . 1 1 6 6 ASP CA C 6 52.408 52.408 53.901 -1.493 26066
334 1 6 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.569 -0.984 26066
335 1 6 . 1 1 6 6 ASP H H 6 8.765 8.765 8.379 0.386 26066
336 1 6 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.314 -0.098 26066
337 1 6 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.588 0.094 26066
338 1 6 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.541 -0.045 26066
339 1 6 . 1 1 8 8 PHE N N 8 115.531 115.531 117.573 -2.042 26066
340 1 6 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.532 0.091 26066
341 1 6 . 1 1 8 8 PHE CA C 8 56.595 56.595 57.780 -1.185 26066
342 1 6 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.550 -0.055 26066
343 1 6 . 1 1 8 8 PHE H H 8 7.905 7.905 7.608 0.297 26066
344 1 6 . 1 1 9 9 GLY N N 9 108.059 108.059 107.036 1.023 26066
345 1 6 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.887 0.346 26066
346 1 6 . 1 1 9 9 GLY H H 9 8.126 8.126 7.625 0.501 26066
347 1 6 . 1 1 10 10 SER HA H 10 4.581 4.581 4.574 0.007 26066
348 1 6 . 1 1 10 10 SER CA C 10 58.095 58.095 58.036 0.059 26066
349 1 6 . 1 1 10 10 SER H H 10 8.422 8.422 8.060 0.362 26066
350 1 6 . 1 1 11 11 THR N N 11 119.831 119.831 118.679 1.152 26066
351 1 6 . 1 1 11 11 THR HA H 11 4.590 4.590 4.458 0.132 26066
352 1 6 . 1 1 11 11 THR CA C 11 62.893 62.893 62.334 0.559 26066
353 1 6 . 1 1 11 11 THR CB C 11 69.249 69.249 69.041 0.208 26066
354 1 6 . 1 1 11 11 THR H H 11 8.620 8.620 8.226 0.394 26066
355 1 6 . 1 1 12 12 LEU N N 12 130.204 130.204 128.989 1.215 26066
356 1 6 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.631 -0.100 26066
357 1 6 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.536 0.224 26066
358 1 6 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.858 -1.054 26066
359 1 6 . 1 1 12 12 LEU H H 12 8.771 8.771 8.376 0.395 26066
360 1 6 . 1 1 13 13 CYS N N 13 120.436 120.436 119.814 0.622 26066
361 1 6 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.816 0.362 26066
362 1 6 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.708 -2.412 26066
363 1 6 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.669 15.256 26066
364 1 6 . 1 1 13 13 CYS H H 13 8.621 8.621 8.407 0.214 26066
365 1 6 . 1 1 14 14 ALA N N 14 121.212 121.212 124.461 -3.249 26066
366 1 6 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.941 -0.172 26066
367 1 6 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.556 0.973 26066
368 1 6 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.263 -0.479 26066
369 1 6 . 1 1 14 14 ALA H H 14 8.455 8.455 8.768 -0.313 26066
370 1 6 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.373 -0.052 26066
371 1 6 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.797 1.125 26066
372 1 6 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.047 -0.416 26066
373 1 7 . 1 1 2 2 ILE N N 2 121.057 121.057 123.422 -2.365 26066
374 1 7 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.143 -0.012 26066
375 1 7 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.692 -0.855 26066
376 1 7 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.030 -1.496 26066
377 1 7 . 1 1 2 2 ILE H H 2 7.413 7.413 7.891 -0.478 26066
378 1 7 . 1 1 3 3 CYS N N 3 126.411 126.411 126.847 -0.436 26066
379 1 7 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.478 1.170 26066
380 1 7 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.721 -3.097 26066
381 1 7 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.685 19.588 26066
382 1 7 . 1 1 3 3 CYS H H 3 8.642 8.642 8.897 -0.255 26066
383 1 7 . 1 1 4 4 PHE N N 4 121.069 121.069 124.217 -3.148 26066
384 1 7 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.057 -0.200 26066
385 1 7 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.686 0.282 26066
386 1 7 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.145 0.063 26066
387 1 7 . 1 1 4 4 PHE H H 4 8.979 8.979 8.076 0.902 26066
388 1 7 . 1 1 5 5 LYS N N 5 119.330 119.330 121.892 -2.562 26066
389 1 7 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.464 0.433 26066
390 1 7 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.478 -0.903 26066
391 1 7 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.631 0.054 26066
392 1 7 . 1 1 5 5 LYS H H 5 8.420 8.420 8.495 -0.075 26066
393 1 7 . 1 1 6 6 ASP N N 6 127.302 127.302 124.875 2.427 26066
394 1 7 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.136 -0.378 26066
395 1 7 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.039 0.369 26066
396 1 7 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.511 -0.926 26066
397 1 7 . 1 1 6 6 ASP H H 6 8.765 8.765 8.539 0.226 26066
398 1 7 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.389 -0.173 26066
399 1 7 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.761 -0.079 26066
400 1 7 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.769 -0.273 26066
401 1 7 . 1 1 8 8 PHE N N 8 115.531 115.531 117.450 -1.919 26066
402 1 7 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.525 0.098 26066
403 1 7 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.444 -1.849 26066
404 1 7 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.984 -0.489 26066
405 1 7 . 1 1 8 8 PHE H H 8 7.905 7.905 8.475 -0.569 26066
406 1 7 . 1 1 9 9 GLY N N 9 108.059 108.059 107.499 0.560 26066
407 1 7 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.828 0.406 26066
408 1 7 . 1 1 9 9 GLY H H 9 8.126 8.126 7.782 0.344 26066
409 1 7 . 1 1 10 10 SER HA H 10 4.581 4.581 4.465 0.116 26066
410 1 7 . 1 1 10 10 SER CA C 10 58.095 58.095 58.563 -0.468 26066
411 1 7 . 1 1 10 10 SER H H 10 8.422 8.422 7.959 0.463 26066
412 1 7 . 1 1 11 11 THR N N 11 119.831 119.831 118.563 1.268 26066
413 1 7 . 1 1 11 11 THR HA H 11 4.590 4.590 4.367 0.223 26066
414 1 7 . 1 1 11 11 THR CA C 11 62.893 62.893 62.312 0.581 26066
415 1 7 . 1 1 11 11 THR CB C 11 69.249 69.249 69.264 -0.015 26066
416 1 7 . 1 1 11 11 THR H H 11 8.620 8.620 8.308 0.312 26066
417 1 7 . 1 1 12 12 LEU N N 12 130.204 130.204 128.755 1.449 26066
418 1 7 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.593 -0.062 26066
419 1 7 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.491 0.269 26066
420 1 7 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.806 -1.002 26066
421 1 7 . 1 1 12 12 LEU H H 12 8.771 8.771 8.388 0.383 26066
422 1 7 . 1 1 13 13 CYS N N 13 120.436 120.436 123.171 -2.735 26066
423 1 7 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.291 0.887 26066
424 1 7 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.335 -2.039 26066
425 1 7 . 1 1 13 13 CYS CB C 13 46.925 46.925 29.819 17.106 26066
426 1 7 . 1 1 13 13 CYS H H 13 8.621 8.621 8.453 0.168 26066
427 1 7 . 1 1 14 14 ALA N N 14 121.212 121.212 126.244 -5.032 26066
428 1 7 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.853 -0.084 26066
429 1 7 . 1 1 14 14 ALA CA C 14 50.529 50.529 50.470 0.059 26066
430 1 7 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.021 -0.237 26066
431 1 7 . 1 1 14 14 ALA H H 14 8.455 8.455 8.739 -0.284 26066
432 1 7 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.339 -0.018 26066
433 1 7 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.384 1.538 26066
434 1 7 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.804 -0.173 26066
435 1 8 . 1 1 2 2 ILE N N 2 121.057 121.057 118.126 2.931 26066
436 1 8 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.374 -0.243 26066
437 1 8 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.458 -0.621 26066
438 1 8 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.737 -2.204 26066
439 1 8 . 1 1 2 2 ILE H H 2 7.413 7.413 7.541 -0.128 26066
440 1 8 . 1 1 3 3 CYS N N 3 126.411 126.411 123.943 2.468 26066
441 1 8 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.787 0.861 26066
442 1 8 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.529 -2.905 26066
443 1 8 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.148 18.125 26066
444 1 8 . 1 1 3 3 CYS H H 3 8.642 8.642 8.412 0.230 26066
445 1 8 . 1 1 4 4 PHE N N 4 121.069 121.069 122.487 -1.418 26066
446 1 8 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.928 -0.071 26066
447 1 8 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.588 -0.620 26066
448 1 8 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.842 -0.634 26066
449 1 8 . 1 1 4 4 PHE H H 4 8.979 8.979 8.395 0.584 26066
450 1 8 . 1 1 5 5 LYS N N 5 119.330 119.330 123.982 -4.652 26066
451 1 8 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.280 0.617 26066
452 1 8 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.563 -0.988 26066
453 1 8 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.154 0.531 26066
454 1 8 . 1 1 5 5 LYS H H 5 8.420 8.420 8.383 0.037 26066
455 1 8 . 1 1 6 6 ASP N N 6 127.302 127.302 125.697 1.605 26066
456 1 8 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.878 -0.120 26066
457 1 8 . 1 1 6 6 ASP CA C 6 52.408 52.408 53.696 -1.288 26066
458 1 8 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.685 -1.100 26066
459 1 8 . 1 1 6 6 ASP H H 6 8.765 8.765 8.085 0.680 26066
460 1 8 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.335 -0.119 26066
461 1 8 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.597 0.085 26066
462 1 8 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.509 -0.013 26066
463 1 8 . 1 1 8 8 PHE N N 8 115.531 115.531 117.440 -1.909 26066
464 1 8 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.515 0.108 26066
465 1 8 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.310 -1.715 26066
466 1 8 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.805 -0.310 26066
467 1 8 . 1 1 8 8 PHE H H 8 7.905 7.905 8.032 -0.127 26066
468 1 8 . 1 1 9 9 GLY N N 9 108.059 108.059 106.716 1.343 26066
469 1 8 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.841 0.392 26066
470 1 8 . 1 1 9 9 GLY H H 9 8.126 8.126 7.719 0.407 26066
471 1 8 . 1 1 10 10 SER HA H 10 4.581 4.581 4.542 0.039 26066
472 1 8 . 1 1 10 10 SER CA C 10 58.095 58.095 57.944 0.151 26066
473 1 8 . 1 1 10 10 SER H H 10 8.422 8.422 7.935 0.487 26066
474 1 8 . 1 1 11 11 THR N N 11 119.831 119.831 116.956 2.875 26066
475 1 8 . 1 1 11 11 THR HA H 11 4.590 4.590 4.611 -0.021 26066
476 1 8 . 1 1 11 11 THR CA C 11 62.893 62.893 61.799 1.094 26066
477 1 8 . 1 1 11 11 THR CB C 11 69.249 69.249 69.407 -0.158 26066
478 1 8 . 1 1 11 11 THR H H 11 8.620 8.620 8.284 0.336 26066
479 1 8 . 1 1 12 12 LEU N N 12 130.204 130.204 129.582 0.622 26066
480 1 8 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.603 -0.072 26066
481 1 8 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.073 -0.313 26066
482 1 8 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.050 -2.246 26066
483 1 8 . 1 1 12 12 LEU H H 12 8.771 8.771 7.824 0.947 26066
484 1 8 . 1 1 13 13 CYS N N 13 120.436 120.436 120.253 0.183 26066
485 1 8 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.650 0.528 26066
486 1 8 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.732 -2.436 26066
487 1 8 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.854 16.071 26066
488 1 8 . 1 1 13 13 CYS H H 13 8.621 8.621 8.285 0.336 26066
489 1 8 . 1 1 14 14 ALA N N 14 121.212 121.212 126.066 -4.854 26066
490 1 8 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.957 -0.188 26066
491 1 8 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.852 0.677 26066
492 1 8 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.907 -0.123 26066
493 1 8 . 1 1 14 14 ALA H H 14 8.455 8.455 8.714 -0.259 26066
494 1 8 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.417 -0.096 26066
495 1 8 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.757 1.165 26066
496 1 8 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.020 -0.389 26066
497 1 9 . 1 1 2 2 ILE N N 2 121.057 121.057 122.507 -1.450 26066
498 1 9 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.048 0.083 26066
499 1 9 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.344 -0.507 26066
500 1 9 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.675 -2.141 26066
501 1 9 . 1 1 2 2 ILE H H 2 7.413 7.413 7.616 -0.203 26066
502 1 9 . 1 1 3 3 CYS N N 3 126.411 126.411 124.161 2.250 26066
503 1 9 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.292 1.356 26066
504 1 9 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.877 -2.253 26066
505 1 9 . 1 1 3 3 CYS CB C 3 47.273 47.273 30.680 16.593 26066
506 1 9 . 1 1 3 3 CYS H H 3 8.642 8.642 8.258 0.384 26066
507 1 9 . 1 1 4 4 PHE N N 4 121.069 121.069 121.138 -0.069 26066
508 1 9 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.815 0.042 26066
509 1 9 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.812 -0.844 26066
510 1 9 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.420 -1.212 26066
511 1 9 . 1 1 4 4 PHE H H 4 8.979 8.979 9.156 -0.177 26066
512 1 9 . 1 1 5 5 LYS N N 5 119.330 119.330 122.612 -3.282 26066
513 1 9 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.640 0.257 26066
514 1 9 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.321 -0.746 26066
515 1 9 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.166 -0.481 26066
516 1 9 . 1 1 5 5 LYS H H 5 8.420 8.420 8.622 -0.202 26066
517 1 9 . 1 1 6 6 ASP N N 6 127.302 127.302 125.993 1.309 26066
518 1 9 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.069 -0.311 26066
519 1 9 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.423 0.985 26066
520 1 9 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.358 -0.773 26066
521 1 9 . 1 1 6 6 ASP H H 6 8.765 8.765 8.309 0.456 26066
522 1 9 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.379 -0.163 26066
523 1 9 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.780 -0.098 26066
524 1 9 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.793 -0.297 26066
525 1 9 . 1 1 8 8 PHE N N 8 115.531 115.531 117.713 -2.182 26066
526 1 9 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.479 0.144 26066
527 1 9 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.626 -2.031 26066
528 1 9 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.089 -0.594 26066
529 1 9 . 1 1 8 8 PHE H H 8 7.905 7.905 8.555 -0.650 26066
530 1 9 . 1 1 9 9 GLY N N 9 108.059 108.059 107.305 0.754 26066
531 1 9 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.738 0.495 26066
532 1 9 . 1 1 9 9 GLY H H 9 8.126 8.126 7.690 0.436 26066
533 1 9 . 1 1 10 10 SER HA H 10 4.581 4.581 4.431 0.150 26066
534 1 9 . 1 1 10 10 SER CA C 10 58.095 58.095 58.900 -0.805 26066
535 1 9 . 1 1 10 10 SER H H 10 8.422 8.422 7.975 0.447 26066
536 1 9 . 1 1 11 11 THR N N 11 119.831 119.831 120.494 -0.663 26066
537 1 9 . 1 1 11 11 THR HA H 11 4.590 4.590 4.543 0.047 26066
538 1 9 . 1 1 11 11 THR CA C 11 62.893 62.893 62.533 0.360 26066
539 1 9 . 1 1 11 11 THR CB C 11 69.249 69.249 69.394 -0.145 26066
540 1 9 . 1 1 11 11 THR H H 11 8.620 8.620 8.439 0.181 26066
541 1 9 . 1 1 12 12 LEU N N 12 130.204 130.204 129.670 0.534 26066
542 1 9 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.800 -0.269 26066
543 1 9 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.065 -0.305 26066
544 1 9 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.929 -1.125 26066
545 1 9 . 1 1 12 12 LEU H H 12 8.771 8.771 8.337 0.434 26066
546 1 9 . 1 1 13 13 CYS N N 13 120.436 120.436 120.911 -0.475 26066
547 1 9 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.690 0.488 26066
548 1 9 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.452 -3.155 26066
549 1 9 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.649 15.276 26066
550 1 9 . 1 1 13 13 CYS H H 13 8.621 8.621 8.707 -0.086 26066
551 1 9 . 1 1 14 14 ALA N N 14 121.212 121.212 126.363 -5.151 26066
552 1 9 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.966 -0.198 26066
553 1 9 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.486 1.044 26066
554 1 9 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.178 -0.394 26066
555 1 9 . 1 1 14 14 ALA H H 14 8.455 8.455 8.688 -0.233 26066
556 1 9 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.359 -0.038 26066
557 1 9 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.528 1.394 26066
558 1 9 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.890 -0.259 26066
559 1 10 . 1 1 2 2 ILE N N 2 121.057 121.057 121.766 -0.709 26066
560 1 10 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.474 -0.343 26066
561 1 10 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.796 1.041 26066
562 1 10 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.371 -1.837 26066
563 1 10 . 1 1 2 2 ILE H H 2 7.413 7.413 7.661 -0.248 26066
564 1 10 . 1 1 3 3 CYS N N 3 126.411 126.411 126.591 -0.180 26066
565 1 10 . 1 1 3 3 CYS HA H 3 5.648 5.648 5.101 0.547 26066
566 1 10 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.439 -2.815 26066
567 1 10 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.990 18.283 26066
568 1 10 . 1 1 3 3 CYS H H 3 8.642 8.642 8.946 -0.304 26066
569 1 10 . 1 1 4 4 PHE N N 4 121.069 121.069 123.201 -2.132 26066
570 1 10 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.032 -0.175 26066
571 1 10 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.009 -0.041 26066
572 1 10 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.511 -0.304 26066
573 1 10 . 1 1 4 4 PHE H H 4 8.979 8.979 8.177 0.802 26066
574 1 10 . 1 1 5 5 LYS N N 5 119.330 119.330 122.872 -3.542 26066
575 1 10 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.429 0.468 26066
576 1 10 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.404 -0.829 26066
577 1 10 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.003 0.682 26066
578 1 10 . 1 1 5 5 LYS H H 5 8.420 8.420 8.481 -0.061 26066
579 1 10 . 1 1 6 6 ASP N N 6 127.302 127.302 126.578 0.724 26066
580 1 10 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.700 0.058 26066
581 1 10 . 1 1 6 6 ASP CA C 6 52.408 52.408 54.090 -1.682 26066
582 1 10 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.407 -0.822 26066
583 1 10 . 1 1 6 6 ASP H H 6 8.765 8.765 7.970 0.795 26066
584 1 10 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.292 -0.076 26066
585 1 10 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.624 0.059 26066
586 1 10 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.559 -0.063 26066
587 1 10 . 1 1 8 8 PHE N N 8 115.531 115.531 117.466 -1.935 26066
588 1 10 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.534 0.089 26066
589 1 10 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.277 -1.682 26066
590 1 10 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.895 -0.400 26066
591 1 10 . 1 1 8 8 PHE H H 8 7.905 7.905 7.904 0.001 26066
592 1 10 . 1 1 9 9 GLY N N 9 108.059 108.059 106.864 1.195 26066
593 1 10 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.737 0.496 26066
594 1 10 . 1 1 9 9 GLY H H 9 8.126 8.126 7.639 0.487 26066
595 1 10 . 1 1 10 10 SER HA H 10 4.581 4.581 4.537 0.044 26066
596 1 10 . 1 1 10 10 SER CA C 10 58.095 58.095 58.447 -0.352 26066
597 1 10 . 1 1 10 10 SER H H 10 8.422 8.422 8.124 0.298 26066
598 1 10 . 1 1 11 11 THR N N 11 119.831 119.831 117.314 2.517 26066
599 1 10 . 1 1 11 11 THR HA H 11 4.590 4.590 4.405 0.185 26066
600 1 10 . 1 1 11 11 THR CA C 11 62.893 62.893 61.251 1.642 26066
601 1 10 . 1 1 11 11 THR CB C 11 69.249 69.249 69.701 -0.452 26066
602 1 10 . 1 1 11 11 THR H H 11 8.620 8.620 8.221 0.399 26066
603 1 10 . 1 1 12 12 LEU N N 12 130.204 130.204 128.791 1.413 26066
604 1 10 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.613 -0.082 26066
605 1 10 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.951 -0.191 26066
606 1 10 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.189 -2.385 26066
607 1 10 . 1 1 12 12 LEU H H 12 8.771 8.771 7.863 0.908 26066
608 1 10 . 1 1 13 13 CYS N N 13 120.436 120.436 120.202 0.234 26066
609 1 10 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.239 -0.061 26066
610 1 10 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.759 -2.463 26066
611 1 10 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.962 15.963 26066
612 1 10 . 1 1 13 13 CYS H H 13 8.621 8.621 8.410 0.211 26066
613 1 10 . 1 1 14 14 ALA N N 14 121.212 121.212 126.182 -4.970 26066
614 1 10 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.980 -0.211 26066
615 1 10 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.834 0.695 26066
616 1 10 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.902 -0.118 26066
617 1 10 . 1 1 14 14 ALA H H 14 8.455 8.455 8.986 -0.531 26066
618 1 10 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.409 -0.088 26066
619 1 10 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.883 1.039 26066
620 1 10 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.048 -0.417 26066
621 1 11 . 1 1 2 2 ILE N N 2 121.057 121.057 123.560 -2.503 26066
622 1 11 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.055 0.076 26066
623 1 11 . 1 1 2 2 ILE CA C 2 60.837 60.837 62.340 -1.503 26066
624 1 11 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.733 -1.198 26066
625 1 11 . 1 1 2 2 ILE H H 2 7.413 7.413 7.893 -0.480 26066
626 1 11 . 1 1 3 3 CYS N N 3 126.411 126.411 126.421 -0.010 26066
627 1 11 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.813 0.835 26066
628 1 11 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.365 -2.741 26066
629 1 11 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.589 17.684 26066
630 1 11 . 1 1 3 3 CYS H H 3 8.642 8.642 8.772 -0.130 26066
631 1 11 . 1 1 4 4 PHE N N 4 121.069 121.069 123.264 -2.195 26066
632 1 11 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.895 -0.038 26066
633 1 11 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.722 -0.755 26066
634 1 11 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.335 -0.127 26066
635 1 11 . 1 1 4 4 PHE H H 4 8.979 8.979 8.019 0.960 26066
636 1 11 . 1 1 5 5 LYS N N 5 119.330 119.330 124.927 -5.597 26066
637 1 11 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.313 0.584 26066
638 1 11 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.968 -1.393 26066
639 1 11 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.194 0.491 26066
640 1 11 . 1 1 5 5 LYS H H 5 8.420 8.420 8.489 -0.069 26066
641 1 11 . 1 1 6 6 ASP N N 6 127.302 127.302 127.241 0.061 26066
642 1 11 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.010 -0.252 26066
643 1 11 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.347 1.061 26066
644 1 11 . 1 1 6 6 ASP CB C 6 40.585 40.585 40.513 0.072 26066
645 1 11 . 1 1 6 6 ASP H H 6 8.765 8.765 8.430 0.335 26066
646 1 11 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.258 -0.042 26066
647 1 11 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.779 -0.097 26066
648 1 11 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.439 0.057 26066
649 1 11 . 1 1 8 8 PHE N N 8 115.531 115.531 118.112 -2.581 26066
650 1 11 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.501 0.122 26066
651 1 11 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.507 -1.912 26066
652 1 11 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.835 -0.340 26066
653 1 11 . 1 1 8 8 PHE H H 8 7.905 7.905 7.622 0.283 26066
654 1 11 . 1 1 9 9 GLY N N 9 108.059 108.059 106.824 1.235 26066
655 1 11 . 1 1 9 9 GLY CA C 9 45.233 45.233 45.083 0.150 26066
656 1 11 . 1 1 9 9 GLY H H 9 8.126 8.126 7.955 0.171 26066
657 1 11 . 1 1 10 10 SER HA H 10 4.581 4.581 4.449 0.132 26066
658 1 11 . 1 1 10 10 SER CA C 10 58.095 58.095 59.233 -1.138 26066
659 1 11 . 1 1 10 10 SER H H 10 8.422 8.422 8.033 0.389 26066
660 1 11 . 1 1 11 11 THR N N 11 119.831 119.831 118.254 1.577 26066
661 1 11 . 1 1 11 11 THR HA H 11 4.590 4.590 4.406 0.184 26066
662 1 11 . 1 1 11 11 THR CA C 11 62.893 62.893 62.392 0.501 26066
663 1 11 . 1 1 11 11 THR CB C 11 69.249 69.249 69.005 0.244 26066
664 1 11 . 1 1 11 11 THR H H 11 8.620 8.620 8.274 0.346 26066
665 1 11 . 1 1 12 12 LEU N N 12 130.204 130.204 128.677 1.527 26066
666 1 11 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.638 -0.107 26066
667 1 11 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.291 -0.531 26066
668 1 11 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.572 -0.768 26066
669 1 11 . 1 1 12 12 LEU H H 12 8.771 8.771 8.322 0.449 26066
670 1 11 . 1 1 13 13 CYS N N 13 120.436 120.436 121.793 -1.357 26066
671 1 11 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.895 0.283 26066
672 1 11 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.840 -2.543 26066
673 1 11 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.242 15.683 26066
674 1 11 . 1 1 13 13 CYS H H 13 8.621 8.621 8.420 0.201 26066
675 1 11 . 1 1 14 14 ALA N N 14 121.212 121.212 125.019 -3.807 26066
676 1 11 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.925 -0.156 26066
677 1 11 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.800 0.729 26066
678 1 11 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.033 -0.249 26066
679 1 11 . 1 1 14 14 ALA H H 14 8.455 8.455 8.753 -0.298 26066
680 1 11 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.378 -0.057 26066
681 1 11 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.717 1.205 26066
682 1 11 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.932 -0.301 26066
683 1 12 . 1 1 2 2 ILE N N 2 121.057 121.057 121.927 -0.870 26066
684 1 12 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.226 -0.095 26066
685 1 12 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.216 1.621 26066
686 1 12 . 1 1 2 2 ILE CB C 2 36.534 36.534 36.713 -0.179 26066
687 1 12 . 1 1 2 2 ILE H H 2 7.413 7.413 7.438 -0.025 26066
688 1 12 . 1 1 3 3 CYS N N 3 126.411 126.411 126.694 -0.283 26066
689 1 12 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.374 1.274 26066
690 1 12 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.528 -2.904 26066
691 1 12 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.889 18.384 26066
692 1 12 . 1 1 3 3 CYS H H 3 8.642 8.642 8.668 -0.026 26066
693 1 12 . 1 1 4 4 PHE N N 4 121.069 121.069 124.073 -3.004 26066
694 1 12 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.746 0.111 26066
695 1 12 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.740 -0.772 26066
696 1 12 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.096 0.112 26066
697 1 12 . 1 1 4 4 PHE H H 4 8.979 8.979 8.338 0.641 26066
698 1 12 . 1 1 5 5 LYS N N 5 119.330 119.330 125.324 -5.994 26066
699 1 12 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.558 0.339 26066
700 1 12 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.401 -0.826 26066
701 1 12 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.000 0.685 26066
702 1 12 . 1 1 5 5 LYS H H 5 8.420 8.420 8.565 -0.145 26066
703 1 12 . 1 1 6 6 ASP N N 6 127.302 127.302 126.388 0.914 26066
704 1 12 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.975 -0.217 26066
705 1 12 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.165 0.243 26066
706 1 12 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.730 -1.145 26066
707 1 12 . 1 1 6 6 ASP H H 6 8.765 8.765 8.509 0.256 26066
708 1 12 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.374 -0.158 26066
709 1 12 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.603 0.079 26066
710 1 12 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.723 -0.227 26066
711 1 12 . 1 1 8 8 PHE N N 8 115.531 115.531 117.924 -2.393 26066
712 1 12 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.511 0.112 26066
713 1 12 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.346 -1.751 26066
714 1 12 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.993 -0.498 26066
715 1 12 . 1 1 8 8 PHE H H 8 7.905 7.905 8.331 -0.426 26066
716 1 12 . 1 1 9 9 GLY N N 9 108.059 108.059 108.043 0.016 26066
717 1 12 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.897 0.336 26066
718 1 12 . 1 1 9 9 GLY H H 9 8.126 8.126 7.710 0.416 26066
719 1 12 . 1 1 10 10 SER HA H 10 4.581 4.581 4.611 -0.030 26066
720 1 12 . 1 1 10 10 SER CA C 10 58.095 58.095 58.291 -0.196 26066
721 1 12 . 1 1 10 10 SER H H 10 8.422 8.422 8.066 0.356 26066
722 1 12 . 1 1 11 11 THR N N 11 119.831 119.831 118.440 1.391 26066
723 1 12 . 1 1 11 11 THR HA H 11 4.590 4.590 4.530 0.060 26066
724 1 12 . 1 1 11 11 THR CA C 11 62.893 62.893 62.219 0.674 26066
725 1 12 . 1 1 11 11 THR CB C 11 69.249 69.249 69.048 0.201 26066
726 1 12 . 1 1 11 11 THR H H 11 8.620 8.620 8.357 0.263 26066
727 1 12 . 1 1 12 12 LEU N N 12 130.204 130.204 129.129 1.075 26066
728 1 12 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.762 -0.231 26066
729 1 12 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.527 -0.767 26066
730 1 12 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.242 -1.438 26066
731 1 12 . 1 1 12 12 LEU H H 12 8.771 8.771 8.592 0.179 26066
732 1 12 . 1 1 13 13 CYS N N 13 120.436 120.436 121.065 -0.629 26066
733 1 12 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.011 0.167 26066
734 1 12 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.329 -3.033 26066
735 1 12 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.483 15.442 26066
736 1 12 . 1 1 13 13 CYS H H 13 8.621 8.621 8.650 -0.029 26066
737 1 12 . 1 1 14 14 ALA N N 14 121.212 121.212 125.749 -4.537 26066
738 1 12 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.970 -0.201 26066
739 1 12 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.778 0.751 26066
740 1 12 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.922 -0.138 26066
741 1 12 . 1 1 14 14 ALA H H 14 8.455 8.455 8.497 -0.042 26066
742 1 12 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.410 -0.089 26066
743 1 12 . 1 1 15 15 PRO CA C 15 64.922 64.922 64.027 0.895 26066
744 1 12 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.878 -0.247 26066
745 1 13 . 1 1 2 2 ILE N N 2 121.057 121.057 122.147 -1.090 26066
746 1 13 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.175 -0.044 26066
747 1 13 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.486 0.351 26066
748 1 13 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.921 -2.387 26066
749 1 13 . 1 1 2 2 ILE H H 2 7.413 7.413 7.664 -0.251 26066
750 1 13 . 1 1 3 3 CYS N N 3 126.411 126.411 125.109 1.302 26066
751 1 13 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.539 1.109 26066
752 1 13 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.630 -2.006 26066
753 1 13 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.933 17.340 26066
754 1 13 . 1 1 3 3 CYS H H 3 8.642 8.642 8.469 0.173 26066
755 1 13 . 1 1 4 4 PHE N N 4 121.069 121.069 120.140 0.929 26066
756 1 13 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.932 -0.075 26066
757 1 13 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.179 -0.211 26066
758 1 13 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.394 -1.185 26066
759 1 13 . 1 1 4 4 PHE H H 4 8.979 8.979 9.117 -0.138 26066
760 1 13 . 1 1 5 5 LYS N N 5 119.330 119.330 121.383 -2.053 26066
761 1 13 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.598 0.299 26066
762 1 13 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.528 -0.953 26066
763 1 13 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.430 -0.745 26066
764 1 13 . 1 1 5 5 LYS H H 5 8.420 8.420 8.587 -0.167 26066
765 1 13 . 1 1 6 6 ASP N N 6 127.302 127.302 126.200 1.102 26066
766 1 13 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.075 -0.317 26066
767 1 13 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.545 0.863 26066
768 1 13 . 1 1 6 6 ASP CB C 6 40.585 40.585 40.616 -0.031 26066
769 1 13 . 1 1 6 6 ASP H H 6 8.765 8.765 8.263 0.502 26066
770 1 13 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.288 -0.072 26066
771 1 13 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.603 0.079 26066
772 1 13 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.460 0.036 26066
773 1 13 . 1 1 8 8 PHE N N 8 115.531 115.531 117.466 -1.935 26066
774 1 13 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.502 0.121 26066
775 1 13 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.301 -1.706 26066
776 1 13 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.849 -0.354 26066
777 1 13 . 1 1 8 8 PHE H H 8 7.905 7.905 7.914 -0.009 26066
778 1 13 . 1 1 9 9 GLY N N 9 108.059 108.059 106.900 1.159 26066
779 1 13 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.866 0.367 26066
780 1 13 . 1 1 9 9 GLY H H 9 8.126 8.126 7.651 0.475 26066
781 1 13 . 1 1 10 10 SER HA H 10 4.581 4.581 4.565 0.016 26066
782 1 13 . 1 1 10 10 SER CA C 10 58.095 58.095 58.590 -0.494 26066
783 1 13 . 1 1 10 10 SER H H 10 8.422 8.422 7.998 0.423 26066
784 1 13 . 1 1 11 11 THR N N 11 119.831 119.831 118.216 1.615 26066
785 1 13 . 1 1 11 11 THR HA H 11 4.590 4.590 4.563 0.027 26066
786 1 13 . 1 1 11 11 THR CA C 11 62.893 62.893 61.788 1.105 26066
787 1 13 . 1 1 11 11 THR CB C 11 69.249 69.249 69.737 -0.488 26066
788 1 13 . 1 1 11 11 THR H H 11 8.620 8.620 8.228 0.392 26066
789 1 13 . 1 1 12 12 LEU N N 12 130.204 130.204 129.689 0.515 26066
790 1 13 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.784 -0.253 26066
791 1 13 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.134 -0.374 26066
792 1 13 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.085 -2.281 26066
793 1 13 . 1 1 12 12 LEU H H 12 8.771 8.771 8.259 0.512 26066
794 1 13 . 1 1 13 13 CYS N N 13 120.436 120.436 121.673 -1.237 26066
795 1 13 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.937 0.241 26066
796 1 13 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.064 -2.768 26066
797 1 13 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.716 16.209 26066
798 1 13 . 1 1 13 13 CYS H H 13 8.621 8.621 8.546 0.075 26066
799 1 13 . 1 1 14 14 ALA N N 14 121.212 121.212 126.561 -5.349 26066
800 1 13 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.991 -0.222 26066
801 1 13 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.524 1.005 26066
802 1 13 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.176 -0.392 26066
803 1 13 . 1 1 14 14 ALA H H 14 8.455 8.455 8.649 -0.194 26066
804 1 13 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.374 -0.053 26066
805 1 13 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.525 1.397 26066
806 1 13 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.830 -0.199 26066
807 1 14 . 1 1 2 2 ILE N N 2 121.057 121.057 123.104 -2.047 26066
808 1 14 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.100 0.031 26066
809 1 14 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.640 0.197 26066
810 1 14 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.580 -1.046 26066
811 1 14 . 1 1 2 2 ILE H H 2 7.413 7.413 7.701 -0.288 26066
812 1 14 . 1 1 3 3 CYS N N 3 126.411 126.411 124.774 1.637 26066
813 1 14 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.276 1.372 26066
814 1 14 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.966 -2.342 26066
815 1 14 . 1 1 3 3 CYS CB C 3 47.273 47.273 30.801 16.472 26066
816 1 14 . 1 1 3 3 CYS H H 3 8.642 8.642 8.347 0.295 26066
817 1 14 . 1 1 4 4 PHE N N 4 121.069 121.069 121.924 -0.855 26066
818 1 14 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.798 0.059 26066
819 1 14 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.460 -0.492 26066
820 1 14 . 1 1 4 4 PHE CB C 4 41.208 41.208 42.278 -1.070 26066
821 1 14 . 1 1 4 4 PHE H H 4 8.979 8.979 9.032 -0.053 26066
822 1 14 . 1 1 5 5 LYS N N 5 119.330 119.330 121.335 -2.005 26066
823 1 14 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.560 0.337 26066
824 1 14 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.499 -0.924 26066
825 1 14 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.595 1.090 26066
826 1 14 . 1 1 5 5 LYS H H 5 8.420 8.420 8.621 -0.201 26066
827 1 14 . 1 1 6 6 ASP N N 6 127.302 127.302 126.377 0.925 26066
828 1 14 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.873 -0.115 26066
829 1 14 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.405 1.003 26066
830 1 14 . 1 1 6 6 ASP CB C 6 40.585 40.585 42.896 -2.311 26066
831 1 14 . 1 1 6 6 ASP H H 6 8.765 8.765 8.739 0.026 26066
832 1 14 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.354 -0.138 26066
833 1 14 . 1 1 7 7 PRO CA C 7 64.682 64.682 63.916 0.765 26066
834 1 14 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.633 -0.137 26066
835 1 14 . 1 1 8 8 PHE N N 8 115.531 115.531 117.971 -2.440 26066
836 1 14 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.417 0.206 26066
837 1 14 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.386 -1.790 26066
838 1 14 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.348 -0.853 26066
839 1 14 . 1 1 8 8 PHE H H 8 7.905 7.905 8.246 -0.341 26066
840 1 14 . 1 1 9 9 GLY N N 9 108.059 108.059 105.818 2.241 26066
841 1 14 . 1 1 9 9 GLY CA C 9 45.233 45.233 45.204 0.029 26066
842 1 14 . 1 1 9 9 GLY H H 9 8.126 8.126 7.829 0.297 26066
843 1 14 . 1 1 10 10 SER HA H 10 4.581 4.581 4.474 0.107 26066
844 1 14 . 1 1 10 10 SER CA C 10 58.095 58.095 58.583 -0.488 26066
845 1 14 . 1 1 10 10 SER H H 10 8.422 8.422 8.272 0.150 26066
846 1 14 . 1 1 11 11 THR N N 11 119.831 119.831 121.244 -1.413 26066
847 1 14 . 1 1 11 11 THR HA H 11 4.590 4.590 4.448 0.142 26066
848 1 14 . 1 1 11 11 THR CA C 11 62.893 62.893 62.508 0.385 26066
849 1 14 . 1 1 11 11 THR CB C 11 69.249 69.249 69.603 -0.354 26066
850 1 14 . 1 1 11 11 THR H H 11 8.620 8.620 8.362 0.258 26066
851 1 14 . 1 1 12 12 LEU N N 12 130.204 130.204 129.108 1.096 26066
852 1 14 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.827 -0.296 26066
853 1 14 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.046 -0.286 26066
854 1 14 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.385 -1.581 26066
855 1 14 . 1 1 12 12 LEU H H 12 8.771 8.771 8.331 0.440 26066
856 1 14 . 1 1 13 13 CYS N N 13 120.436 120.436 120.118 0.318 26066
857 1 14 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.806 0.372 26066
858 1 14 . 1 1 13 13 CYS CA C 13 55.296 55.296 58.269 -2.973 26066
859 1 14 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.192 15.733 26066
860 1 14 . 1 1 13 13 CYS H H 13 8.621 8.621 8.635 -0.014 26066
861 1 14 . 1 1 14 14 ALA N N 14 121.212 121.212 126.316 -5.104 26066
862 1 14 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.958 -0.189 26066
863 1 14 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.593 0.936 26066
864 1 14 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.002 -0.218 26066
865 1 14 . 1 1 14 14 ALA H H 14 8.455 8.455 8.708 -0.253 26066
866 1 14 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.363 -0.042 26066
867 1 14 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.727 1.196 26066
868 1 14 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.040 -0.409 26066
869 1 15 . 1 1 2 2 ILE N N 2 121.057 121.057 123.552 -2.495 26066
870 1 15 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.113 0.018 26066
871 1 15 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.879 -1.042 26066
872 1 15 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.942 -1.408 26066
873 1 15 . 1 1 2 2 ILE H H 2 7.413 7.413 7.912 -0.499 26066
874 1 15 . 1 1 3 3 CYS N N 3 126.411 126.411 127.221 -0.810 26066
875 1 15 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.646 1.002 26066
876 1 15 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.789 -3.166 26066
877 1 15 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.609 19.664 26066
878 1 15 . 1 1 3 3 CYS H H 3 8.642 8.642 8.917 -0.275 26066
879 1 15 . 1 1 4 4 PHE N N 4 121.069 121.069 125.434 -4.365 26066
880 1 15 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.860 -0.003 26066
881 1 15 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.322 -0.354 26066
882 1 15 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.346 -0.139 26066
883 1 15 . 1 1 4 4 PHE H H 4 8.979 8.979 7.957 1.022 26066
884 1 15 . 1 1 5 5 LYS N N 5 119.330 119.330 124.407 -5.077 26066
885 1 15 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.194 0.703 26066
886 1 15 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.566 -0.991 26066
887 1 15 . 1 1 5 5 LYS CB C 5 33.685 33.685 32.997 0.688 26066
888 1 15 . 1 1 5 5 LYS H H 5 8.420 8.420 8.284 0.136 26066
889 1 15 . 1 1 6 6 ASP N N 6 127.302 127.302 122.670 4.632 26066
890 1 15 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.012 -0.254 26066
891 1 15 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.268 0.140 26066
892 1 15 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.200 -0.615 26066
893 1 15 . 1 1 6 6 ASP H H 6 8.765 8.765 8.049 0.716 26066
894 1 15 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.372 -0.156 26066
895 1 15 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.308 0.374 26066
896 1 15 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.824 -0.328 26066
897 1 15 . 1 1 8 8 PHE N N 8 115.531 115.531 115.830 -0.299 26066
898 1 15 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.651 -0.028 26066
899 1 15 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.880 -2.285 26066
900 1 15 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.332 -0.837 26066
901 1 15 . 1 1 8 8 PHE H H 8 7.905 7.905 8.293 -0.388 26066
902 1 15 . 1 1 9 9 GLY N N 9 108.059 108.059 106.680 1.379 26066
903 1 15 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.741 0.492 26066
904 1 15 . 1 1 9 9 GLY H H 9 8.126 8.126 7.614 0.512 26066
905 1 15 . 1 1 10 10 SER HA H 10 4.581 4.581 4.579 0.002 26066
906 1 15 . 1 1 10 10 SER CA C 10 58.095 58.095 58.480 -0.385 26066
907 1 15 . 1 1 10 10 SER H H 10 8.422 8.422 7.975 0.447 26066
908 1 15 . 1 1 11 11 THR N N 11 119.831 119.831 119.239 0.592 26066
909 1 15 . 1 1 11 11 THR HA H 11 4.590 4.590 4.411 0.179 26066
910 1 15 . 1 1 11 11 THR CA C 11 62.893 62.893 62.344 0.549 26066
911 1 15 . 1 1 11 11 THR CB C 11 69.249 69.249 68.602 0.647 26066
912 1 15 . 1 1 11 11 THR H H 11 8.620 8.620 8.412 0.208 26066
913 1 15 . 1 1 12 12 LEU N N 12 130.204 130.204 128.299 1.905 26066
914 1 15 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.535 -0.004 26066
915 1 15 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.466 -0.706 26066
916 1 15 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.109 -2.305 26066
917 1 15 . 1 1 12 12 LEU H H 12 8.771 8.771 8.259 0.512 26066
918 1 15 . 1 1 13 13 CYS N N 13 120.436 120.436 119.073 1.363 26066
919 1 15 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.607 0.571 26066
920 1 15 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.774 -2.478 26066
921 1 15 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.329 15.596 26066
922 1 15 . 1 1 13 13 CYS H H 13 8.621 8.621 8.323 0.298 26066
923 1 15 . 1 1 14 14 ALA N N 14 121.212 121.212 123.854 -2.642 26066
924 1 15 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.978 -0.209 26066
925 1 15 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.834 0.695 26066
926 1 15 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.250 -0.466 26066
927 1 15 . 1 1 14 14 ALA H H 14 8.455 8.455 8.402 0.053 26066
928 1 15 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.403 -0.082 26066
929 1 15 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.684 1.238 26066
930 1 15 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.904 -0.272 26066
931 1 16 . 1 1 2 2 ILE N N 2 121.057 121.057 123.632 -2.575 26066
932 1 16 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.111 0.020 26066
933 1 16 . 1 1 2 2 ILE CA C 2 60.837 60.837 62.496 -1.659 26066
934 1 16 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.611 -1.077 26066
935 1 16 . 1 1 2 2 ILE H H 2 7.413 7.413 7.918 -0.505 26066
936 1 16 . 1 1 3 3 CYS N N 3 126.411 126.411 126.927 -0.516 26066
937 1 16 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.609 1.039 26066
938 1 16 . 1 1 3 3 CYS CA C 3 55.624 55.624 57.896 -2.272 26066
939 1 16 . 1 1 3 3 CYS CB C 3 47.273 47.273 29.635 17.638 26066
940 1 16 . 1 1 3 3 CYS H H 3 8.642 8.642 8.842 -0.200 26066
941 1 16 . 1 1 4 4 PHE N N 4 121.069 121.069 122.370 -1.301 26066
942 1 16 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.907 -0.050 26066
943 1 16 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.699 -0.731 26066
944 1 16 . 1 1 4 4 PHE CB C 4 41.208 41.208 40.736 0.472 26066
945 1 16 . 1 1 4 4 PHE H H 4 8.979 8.979 8.345 0.634 26066
946 1 16 . 1 1 5 5 LYS N N 5 119.330 119.330 124.089 -4.759 26066
947 1 16 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.484 0.413 26066
948 1 16 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.284 -0.709 26066
949 1 16 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.863 -0.178 26066
950 1 16 . 1 1 5 5 LYS H H 5 8.420 8.420 8.568 -0.148 26066
951 1 16 . 1 1 6 6 ASP N N 6 127.302 127.302 124.976 2.326 26066
952 1 16 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.072 -0.314 26066
953 1 16 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.024 0.384 26066
954 1 16 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.284 -0.699 26066
955 1 16 . 1 1 6 6 ASP H H 6 8.765 8.765 8.239 0.526 26066
956 1 16 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.388 -0.172 26066
957 1 16 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.727 -0.045 26066
958 1 16 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.690 -0.194 26066
959 1 16 . 1 1 8 8 PHE N N 8 115.531 115.531 117.765 -2.234 26066
960 1 16 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.456 0.167 26066
961 1 16 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.719 -2.124 26066
962 1 16 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.262 -0.767 26066
963 1 16 . 1 1 8 8 PHE H H 8 7.905 7.905 8.219 -0.314 26066
964 1 16 . 1 1 9 9 GLY N N 9 108.059 108.059 107.205 0.854 26066
965 1 16 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.855 0.379 26066
966 1 16 . 1 1 9 9 GLY H H 9 8.126 8.126 7.657 0.469 26066
967 1 16 . 1 1 10 10 SER HA H 10 4.581 4.581 4.441 0.140 26066
968 1 16 . 1 1 10 10 SER CA C 10 58.095 58.095 58.688 -0.593 26066
969 1 16 . 1 1 10 10 SER H H 10 8.422 8.422 8.034 0.388 26066
970 1 16 . 1 1 11 11 THR N N 11 119.831 119.831 119.338 0.493 26066
971 1 16 . 1 1 11 11 THR HA H 11 4.590 4.590 4.450 0.140 26066
972 1 16 . 1 1 11 11 THR CA C 11 62.893 62.893 61.780 1.113 26066
973 1 16 . 1 1 11 11 THR CB C 11 69.249 69.249 69.635 -0.386 26066
974 1 16 . 1 1 11 11 THR H H 11 8.620 8.620 8.312 0.308 26066
975 1 16 . 1 1 12 12 LEU N N 12 130.204 130.204 130.294 -0.090 26066
976 1 16 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.543 -0.012 26066
977 1 16 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.263 -0.503 26066
978 1 16 . 1 1 12 12 LEU CB C 12 43.804 43.804 44.659 -0.855 26066
979 1 16 . 1 1 12 12 LEU H H 12 8.771 8.771 7.897 0.874 26066
980 1 16 . 1 1 13 13 CYS N N 13 120.436 120.436 122.187 -1.751 26066
981 1 16 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.612 0.566 26066
982 1 16 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.733 -2.437 26066
983 1 16 . 1 1 13 13 CYS CB C 13 46.925 46.925 29.686 17.239 26066
984 1 16 . 1 1 13 13 CYS H H 13 8.621 8.621 8.570 0.051 26066
985 1 16 . 1 1 14 14 ALA N N 14 121.212 121.212 127.174 -5.962 26066
986 1 16 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.861 -0.092 26066
987 1 16 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.820 0.709 26066
988 1 16 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.838 -0.054 26066
989 1 16 . 1 1 14 14 ALA H H 14 8.455 8.455 8.688 -0.233 26066
990 1 16 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.344 -0.023 26066
991 1 16 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.635 1.287 26066
992 1 16 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.976 -0.345 26066
993 1 17 . 1 1 2 2 ILE N N 2 121.057 121.057 123.083 -2.026 26066
994 1 17 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.221 -0.090 26066
995 1 17 . 1 1 2 2 ILE CA C 2 60.837 60.837 61.478 -0.641 26066
996 1 17 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.630 -2.096 26066
997 1 17 . 1 1 2 2 ILE H H 2 7.413 7.413 7.807 -0.394 26066
998 1 17 . 1 1 3 3 CYS N N 3 126.411 126.411 126.200 0.211 26066
999 1 17 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.614 1.034 26066
1000 1 17 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.534 -2.910 26066
1001 1 17 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.708 18.565 26066
1002 1 17 . 1 1 3 3 CYS H H 3 8.642 8.642 8.811 -0.169 26066
1003 1 17 . 1 1 4 4 PHE N N 4 121.069 121.069 122.671 -1.602 26066
1004 1 17 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.956 -0.099 26066
1005 1 17 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.124 -0.156 26066
1006 1 17 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.462 -0.254 26066
1007 1 17 . 1 1 4 4 PHE H H 4 8.979 8.979 7.928 1.051 26066
1008 1 17 . 1 1 5 5 LYS N N 5 119.330 119.330 123.998 -4.668 26066
1009 1 17 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.366 0.531 26066
1010 1 17 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.660 -1.085 26066
1011 1 17 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.632 0.053 26066
1012 1 17 . 1 1 5 5 LYS H H 5 8.420 8.420 8.515 -0.095 26066
1013 1 17 . 1 1 6 6 ASP N N 6 127.302 127.302 127.518 -0.216 26066
1014 1 17 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.039 -0.281 26066
1015 1 17 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.165 0.243 26066
1016 1 17 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.486 -0.901 26066
1017 1 17 . 1 1 6 6 ASP H H 6 8.765 8.765 8.185 0.580 26066
1018 1 17 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.314 -0.098 26066
1019 1 17 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.733 -0.051 26066
1020 1 17 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.537 -0.041 26066
1021 1 17 . 1 1 8 8 PHE N N 8 115.531 115.531 117.541 -2.010 26066
1022 1 17 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.486 0.137 26066
1023 1 17 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.469 -1.874 26066
1024 1 17 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.016 -0.521 26066
1025 1 17 . 1 1 8 8 PHE H H 8 7.905 7.905 8.093 -0.188 26066
1026 1 17 . 1 1 9 9 GLY N N 9 108.059 108.059 107.071 0.988 26066
1027 1 17 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.876 0.357 26066
1028 1 17 . 1 1 9 9 GLY H H 9 8.126 8.126 7.715 0.411 26066
1029 1 17 . 1 1 10 10 SER HA H 10 4.581 4.581 4.455 0.126 26066
1030 1 17 . 1 1 10 10 SER CA C 10 58.095 58.095 58.827 -0.732 26066
1031 1 17 . 1 1 10 10 SER H H 10 8.422 8.422 7.956 0.466 26066
1032 1 17 . 1 1 11 11 THR N N 11 119.831 119.831 118.784 1.047 26066
1033 1 17 . 1 1 11 11 THR HA H 11 4.590 4.590 4.452 0.138 26066
1034 1 17 . 1 1 11 11 THR CA C 11 62.893 62.893 62.557 0.336 26066
1035 1 17 . 1 1 11 11 THR CB C 11 69.249 69.249 69.314 -0.065 26066
1036 1 17 . 1 1 11 11 THR H H 11 8.620 8.620 8.301 0.319 26066
1037 1 17 . 1 1 12 12 LEU N N 12 130.204 130.204 128.933 1.271 26066
1038 1 17 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.536 -0.005 26066
1039 1 17 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.172 -0.412 26066
1040 1 17 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.496 -1.692 26066
1041 1 17 . 1 1 12 12 LEU H H 12 8.771 8.771 8.103 0.668 26066
1042 1 17 . 1 1 13 13 CYS N N 13 120.436 120.436 119.243 1.193 26066
1043 1 17 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.471 0.707 26066
1044 1 17 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.831 -2.535 26066
1045 1 17 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.266 15.659 26066
1046 1 17 . 1 1 13 13 CYS H H 13 8.621 8.621 8.313 0.308 26066
1047 1 17 . 1 1 14 14 ALA N N 14 121.212 121.212 125.044 -3.832 26066
1048 1 17 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.982 -0.213 26066
1049 1 17 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.625 0.904 26066
1050 1 17 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.234 -0.450 26066
1051 1 17 . 1 1 14 14 ALA H H 14 8.455 8.455 8.387 0.068 26066
1052 1 17 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.397 -0.076 26066
1053 1 17 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.605 1.317 26066
1054 1 17 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.903 -0.272 26066
1055 1 18 . 1 1 2 2 ILE N N 2 121.057 121.057 122.359 -1.302 26066
1056 1 18 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.137 -0.006 26066
1057 1 18 . 1 1 2 2 ILE CA C 2 60.837 60.837 62.212 -1.375 26066
1058 1 18 . 1 1 2 2 ILE CB C 2 36.534 36.534 39.195 -2.661 26066
1059 1 18 . 1 1 2 2 ILE H H 2 7.413 7.413 7.767 -0.354 26066
1060 1 18 . 1 1 3 3 CYS N N 3 126.411 126.411 124.459 1.952 26066
1061 1 18 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.753 0.895 26066
1062 1 18 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.087 -2.463 26066
1063 1 18 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.658 19.615 26066
1064 1 18 . 1 1 3 3 CYS H H 3 8.642 8.642 8.370 0.272 26066
1065 1 18 . 1 1 4 4 PHE N N 4 121.069 121.069 124.328 -3.259 26066
1066 1 18 . 1 1 4 4 PHE HA H 4 4.857 4.857 5.043 -0.186 26066
1067 1 18 . 1 1 4 4 PHE CA C 4 55.968 55.968 55.999 -0.031 26066
1068 1 18 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.482 -0.274 26066
1069 1 18 . 1 1 4 4 PHE H H 4 8.979 8.979 8.446 0.533 26066
1070 1 18 . 1 1 5 5 LYS N N 5 119.330 119.330 120.082 -0.752 26066
1071 1 18 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.638 0.259 26066
1072 1 18 . 1 1 5 5 LYS CA C 5 54.575 54.575 54.921 -0.346 26066
1073 1 18 . 1 1 5 5 LYS CB C 5 33.685 33.685 34.416 -0.731 26066
1074 1 18 . 1 1 5 5 LYS H H 5 8.420 8.420 8.275 0.145 26066
1075 1 18 . 1 1 6 6 ASP N N 6 127.302 127.302 124.476 2.826 26066
1076 1 18 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.979 -0.221 26066
1077 1 18 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.496 -0.088 26066
1078 1 18 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.445 -0.860 26066
1079 1 18 . 1 1 6 6 ASP H H 6 8.765 8.765 8.380 0.385 26066
1080 1 18 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.300 -0.084 26066
1081 1 18 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.514 0.168 26066
1082 1 18 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.452 0.044 26066
1083 1 18 . 1 1 8 8 PHE N N 8 115.531 115.531 117.465 -1.934 26066
1084 1 18 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.588 0.035 26066
1085 1 18 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.014 -1.419 26066
1086 1 18 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.789 -0.294 26066
1087 1 18 . 1 1 8 8 PHE H H 8 7.905 7.905 7.958 -0.053 26066
1088 1 18 . 1 1 9 9 GLY N N 9 108.059 108.059 106.526 1.533 26066
1089 1 18 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.764 0.469 26066
1090 1 18 . 1 1 9 9 GLY H H 9 8.126 8.126 7.686 0.440 26066
1091 1 18 . 1 1 10 10 SER HA H 10 4.581 4.581 4.643 -0.062 26066
1092 1 18 . 1 1 10 10 SER CA C 10 58.095 58.095 57.918 0.177 26066
1093 1 18 . 1 1 10 10 SER H H 10 8.422 8.422 7.925 0.497 26066
1094 1 18 . 1 1 11 11 THR N N 11 119.831 119.831 120.635 -0.804 26066
1095 1 18 . 1 1 11 11 THR HA H 11 4.590 4.590 4.418 0.172 26066
1096 1 18 . 1 1 11 11 THR CA C 11 62.893 62.893 62.590 0.303 26066
1097 1 18 . 1 1 11 11 THR CB C 11 69.249 69.249 69.370 -0.121 26066
1098 1 18 . 1 1 11 11 THR H H 11 8.620 8.620 8.391 0.229 26066
1099 1 18 . 1 1 12 12 LEU N N 12 130.204 130.204 129.033 1.171 26066
1100 1 18 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.619 -0.088 26066
1101 1 18 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.875 -0.115 26066
1102 1 18 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.011 -2.207 26066
1103 1 18 . 1 1 12 12 LEU H H 12 8.771 8.771 7.843 0.928 26066
1104 1 18 . 1 1 13 13 CYS N N 13 120.436 120.436 119.251 1.185 26066
1105 1 18 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.779 0.399 26066
1106 1 18 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.892 -2.595 26066
1107 1 18 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.928 15.997 26066
1108 1 18 . 1 1 13 13 CYS H H 13 8.621 8.621 8.379 0.242 26066
1109 1 18 . 1 1 14 14 ALA N N 14 121.212 121.212 126.475 -5.263 26066
1110 1 18 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.846 -0.077 26066
1111 1 18 . 1 1 14 14 ALA CA C 14 50.529 50.529 50.070 0.459 26066
1112 1 18 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.723 0.061 26066
1113 1 18 . 1 1 14 14 ALA H H 14 8.455 8.455 8.586 -0.131 26066
1114 1 18 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.411 -0.090 26066
1115 1 18 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.801 1.121 26066
1116 1 18 . 1 1 15 15 PRO CB C 15 31.631 31.631 32.159 -0.528 26066
1117 1 19 . 1 1 2 2 ILE N N 2 121.057 121.057 122.255 -1.198 26066
1118 1 19 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.347 -0.216 26066
1119 1 19 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.758 0.079 26066
1120 1 19 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.694 -2.160 26066
1121 1 19 . 1 1 2 2 ILE H H 2 7.413 7.413 7.718 -0.305 26066
1122 1 19 . 1 1 3 3 CYS N N 3 126.411 126.411 127.886 -1.475 26066
1123 1 19 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.714 0.934 26066
1124 1 19 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.745 -3.121 26066
1125 1 19 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.360 19.913 26066
1126 1 19 . 1 1 3 3 CYS H H 3 8.642 8.642 9.069 -0.427 26066
1127 1 19 . 1 1 4 4 PHE N N 4 121.069 121.069 123.752 -2.683 26066
1128 1 19 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.968 -0.111 26066
1129 1 19 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.325 -0.357 26066
1130 1 19 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.513 -0.305 26066
1131 1 19 . 1 1 4 4 PHE H H 4 8.979 8.979 8.131 0.848 26066
1132 1 19 . 1 1 5 5 LYS N N 5 119.330 119.330 122.779 -3.449 26066
1133 1 19 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.298 0.599 26066
1134 1 19 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.632 -1.057 26066
1135 1 19 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.228 0.457 26066
1136 1 19 . 1 1 5 5 LYS H H 5 8.420 8.420 8.378 0.042 26066
1137 1 19 . 1 1 6 6 ASP N N 6 127.302 127.302 124.589 2.713 26066
1138 1 19 . 1 1 6 6 ASP HA H 6 4.758 4.758 5.039 -0.281 26066
1139 1 19 . 1 1 6 6 ASP CA C 6 52.408 52.408 51.648 0.760 26066
1140 1 19 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.120 -0.535 26066
1141 1 19 . 1 1 6 6 ASP H H 6 8.765 8.765 8.208 0.557 26066
1142 1 19 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.323 -0.107 26066
1143 1 19 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.748 -0.066 26066
1144 1 19 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.526 -0.030 26066
1145 1 19 . 1 1 8 8 PHE N N 8 115.531 115.531 117.478 -1.947 26066
1146 1 19 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.501 0.122 26066
1147 1 19 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.431 -1.836 26066
1148 1 19 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.958 -0.463 26066
1149 1 19 . 1 1 8 8 PHE H H 8 7.905 7.905 8.092 -0.187 26066
1150 1 19 . 1 1 9 9 GLY N N 9 108.059 108.059 106.493 1.566 26066
1151 1 19 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.822 0.411 26066
1152 1 19 . 1 1 9 9 GLY H H 9 8.126 8.126 7.672 0.454 26066
1153 1 19 . 1 1 10 10 SER HA H 10 4.581 4.581 4.548 0.033 26066
1154 1 19 . 1 1 10 10 SER CA C 10 58.095 58.095 58.791 -0.696 26066
1155 1 19 . 1 1 10 10 SER H H 10 8.422 8.422 8.054 0.368 26066
1156 1 19 . 1 1 11 11 THR N N 11 119.831 119.831 117.628 2.203 26066
1157 1 19 . 1 1 11 11 THR HA H 11 4.590 4.590 4.335 0.255 26066
1158 1 19 . 1 1 11 11 THR CA C 11 62.893 62.893 61.290 1.603 26066
1159 1 19 . 1 1 11 11 THR CB C 11 69.249 69.249 69.697 -0.448 26066
1160 1 19 . 1 1 11 11 THR H H 11 8.620 8.620 8.358 0.262 26066
1161 1 19 . 1 1 12 12 LEU N N 12 130.204 130.204 130.117 0.087 26066
1162 1 19 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.558 -0.027 26066
1163 1 19 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.625 0.135 26066
1164 1 19 . 1 1 12 12 LEU CB C 12 43.804 43.804 43.733 0.071 26066
1165 1 19 . 1 1 12 12 LEU H H 12 8.771 8.771 7.905 0.866 26066
1166 1 19 . 1 1 13 13 CYS N N 13 120.436 120.436 123.551 -3.115 26066
1167 1 19 . 1 1 13 13 CYS HA H 13 5.178 5.178 5.129 0.049 26066
1168 1 19 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.761 -2.465 26066
1169 1 19 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.622 16.303 26066
1170 1 19 . 1 1 13 13 CYS H H 13 8.621 8.621 8.529 0.092 26066
1171 1 19 . 1 1 14 14 ALA N N 14 121.212 121.212 127.183 -5.971 26066
1172 1 19 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.949 -0.180 26066
1173 1 19 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.895 0.634 26066
1174 1 19 . 1 1 14 14 ALA CB C 14 18.784 18.784 18.807 -0.023 26066
1175 1 19 . 1 1 14 14 ALA H H 14 8.455 8.455 8.742 -0.287 26066
1176 1 19 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.374 -0.053 26066
1177 1 19 . 1 1 15 15 PRO CA C 15 64.922 64.922 64.222 0.700 26066
1178 1 19 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.882 -0.251 26066
1179 1 20 . 1 1 2 2 ILE N N 2 121.057 121.057 122.418 -1.361 26066
1180 1 20 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.410 -0.279 26066
1181 1 20 . 1 1 2 2 ILE CA C 2 60.837 60.837 59.378 1.459 26066
1182 1 20 . 1 1 2 2 ILE CB C 2 36.534 36.534 37.397 -0.863 26066
1183 1 20 . 1 1 2 2 ILE H H 2 7.413 7.413 7.767 -0.354 26066
1184 1 20 . 1 1 3 3 CYS N N 3 126.411 126.411 127.608 -1.197 26066
1185 1 20 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.391 1.257 26066
1186 1 20 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.736 -3.112 26066
1187 1 20 . 1 1 3 3 CYS CB C 3 47.273 47.273 27.881 19.392 26066
1188 1 20 . 1 1 3 3 CYS H H 3 8.642 8.642 8.955 -0.313 26066
1189 1 20 . 1 1 4 4 PHE N N 4 121.069 121.069 123.994 -2.925 26066
1190 1 20 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.932 -0.075 26066
1191 1 20 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.170 -0.202 26066
1192 1 20 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.036 0.172 26066
1193 1 20 . 1 1 4 4 PHE H H 4 8.979 8.979 7.650 1.329 26066
1194 1 20 . 1 1 5 5 LYS N N 5 119.330 119.330 123.503 -4.173 26066
1195 1 20 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.459 0.438 26066
1196 1 20 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.915 -1.340 26066
1197 1 20 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.145 0.540 26066
1198 1 20 . 1 1 5 5 LYS H H 5 8.420 8.420 8.524 -0.104 26066
1199 1 20 . 1 1 6 6 ASP N N 6 127.302 127.302 126.453 0.849 26066
1200 1 20 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.946 -0.188 26066
1201 1 20 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.882 -0.474 26066
1202 1 20 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.547 -0.963 26066
1203 1 20 . 1 1 6 6 ASP H H 6 8.765 8.765 8.220 0.545 26066
1204 1 20 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.309 -0.093 26066
1205 1 20 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.626 0.056 26066
1206 1 20 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.581 -0.085 26066
1207 1 20 . 1 1 8 8 PHE N N 8 115.531 115.531 117.336 -1.805 26066
1208 1 20 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.567 0.056 26066
1209 1 20 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.332 -1.737 26066
1210 1 20 . 1 1 8 8 PHE CB C 8 38.495 38.495 39.136 -0.641 26066
1211 1 20 . 1 1 8 8 PHE H H 8 7.905 7.905 8.011 -0.106 26066
1212 1 20 . 1 1 9 9 GLY N N 9 108.059 108.059 107.154 0.905 26066
1213 1 20 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.881 0.352 26066
1214 1 20 . 1 1 9 9 GLY H H 9 8.126 8.126 7.711 0.415 26066
1215 1 20 . 1 1 10 10 SER HA H 10 4.581 4.581 4.505 0.076 26066
1216 1 20 . 1 1 10 10 SER CA C 10 58.095 58.095 58.359 -0.264 26066
1217 1 20 . 1 1 10 10 SER H H 10 8.422 8.422 8.002 0.420 26066
1218 1 20 . 1 1 11 11 THR N N 11 119.831 119.831 119.180 0.651 26066
1219 1 20 . 1 1 11 11 THR HA H 11 4.590 4.590 4.500 0.090 26066
1220 1 20 . 1 1 11 11 THR CA C 11 62.893 62.893 62.318 0.576 26066
1221 1 20 . 1 1 11 11 THR CB C 11 69.249 69.249 69.279 -0.030 26066
1222 1 20 . 1 1 11 11 THR H H 11 8.620 8.620 8.210 0.410 26066
1223 1 20 . 1 1 12 12 LEU N N 12 130.204 130.204 129.101 1.103 26066
1224 1 20 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.638 -0.107 26066
1225 1 20 . 1 1 12 12 LEU CA C 12 53.760 53.760 53.877 -0.117 26066
1226 1 20 . 1 1 12 12 LEU CB C 12 43.804 43.804 46.302 -2.498 26066
1227 1 20 . 1 1 12 12 LEU H H 12 8.771 8.771 8.339 0.432 26066
1228 1 20 . 1 1 13 13 CYS N N 13 120.436 120.436 118.833 1.603 26066
1229 1 20 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.517 0.661 26066
1230 1 20 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.525 -2.229 26066
1231 1 20 . 1 1 13 13 CYS CB C 13 46.925 46.925 31.421 15.504 26066
1232 1 20 . 1 1 13 13 CYS H H 13 8.621 8.621 8.296 0.325 26066
1233 1 20 . 1 1 14 14 ALA N N 14 121.212 121.212 123.867 -2.655 26066
1234 1 20 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.738 0.031 26066
1235 1 20 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.765 0.764 26066
1236 1 20 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.251 -0.467 26066
1237 1 20 . 1 1 14 14 ALA H H 14 8.455 8.455 8.478 -0.023 26066
1238 1 20 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.361 -0.040 26066
1239 1 20 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.949 0.973 26066
1240 1 20 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.776 -0.144 26066
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 11 2.685 0.961 2.629 26066
2 1 1 "Average Difference" HA 15 0.367 -0.108 0.364 26066
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26066
4 1 1 "Average Difference" CA 14 1.316 0.364 1.312 26066
5 1 1 "Average Difference" CB 12 7.098 -2.315 7.009 26066
6 1 1 "Average Difference" HN 12 0.496 -0.168 0.488 26066
7 1 2 "Average Difference" N 11 2.313 0.905 2.233 26066
8 1 2 "Average Difference" HA 15 0.363 -0.102 0.360 26066
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26066
10 1 2 "Average Difference" CA 14 1.266 0.370 1.256 26066
11 1 2 "Average Difference" CB 12 7.235 -2.537 7.077 26066
12 1 2 "Average Difference" HN 12 0.477 -0.253 0.423 26066
13 1 3 "Average Difference" N 11 2.716 1.083 2.612 26066
14 1 3 "Average Difference" HA 15 0.308 -0.112 0.296 26066
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26066
16 1 3 "Average Difference" CA 14 1.138 0.424 1.096 26066
17 1 3 "Average Difference" CB 12 6.806 -2.280 6.698 26066
18 1 3 "Average Difference" HN 12 0.324 -0.102 0.321 26066
19 1 4 "Average Difference" N 11 2.440 1.417 2.083 26066
20 1 4 "Average Difference" HA 15 0.342 -0.104 0.337 26066
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26066
22 1 4 "Average Difference" CA 14 1.310 0.442 1.280 26066
23 1 4 "Average Difference" CB 12 7.367 -2.539 7.223 26066
24 1 4 "Average Difference" HN 12 0.332 -0.141 0.314 26066
25 1 5 "Average Difference" N 11 2.256 0.444 2.320 26066
26 1 5 "Average Difference" HA 15 0.378 -0.151 0.359 26066
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26066
28 1 5 "Average Difference" CA 14 1.400 0.366 1.402 26066
29 1 5 "Average Difference" CB 12 7.641 -2.684 7.473 26066
30 1 5 "Average Difference" HN 12 0.492 -0.123 0.497 26066
31 1 6 "Average Difference" N 11 2.127 0.786 2.073 26066
32 1 6 "Average Difference" HA 15 0.369 -0.137 0.355 26066
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26066
34 1 6 "Average Difference" CA 14 1.286 0.312 1.295 26066
35 1 6 "Average Difference" CB 12 6.970 -2.545 6.777 26066
36 1 6 "Average Difference" HN 12 0.503 -0.238 0.463 26066
37 1 7 "Average Difference" N 11 2.498 1.136 2.334 26066
38 1 7 "Average Difference" HA 15 0.450 -0.172 0.431 26066
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26066
40 1 7 "Average Difference" CA 14 1.256 0.413 1.231 26066
41 1 7 "Average Difference" CB 12 7.532 -2.683 7.351 26066
42 1 7 "Average Difference" HN 12 0.426 -0.095 0.434 26066
43 1 8 "Average Difference" N 11 2.673 0.073 2.803 26066
44 1 8 "Average Difference" HA 15 0.356 -0.113 0.349 26066
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26066
46 1 8 "Average Difference" CA 14 1.310 0.523 1.246 26066
47 1 8 "Average Difference" CB 12 7.064 -2.296 6.978 26066
48 1 8 "Average Difference" HN 12 0.455 -0.294 0.362 26066
49 1 9 "Average Difference" N 11 2.184 0.766 2.145 26066
50 1 9 "Average Difference" HA 15 0.433 -0.142 0.424 26066
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26066
52 1 9 "Average Difference" CA 14 1.358 0.462 1.325 26066
53 1 9 "Average Difference" CB 12 6.567 -2.037 6.521 26066
54 1 9 "Average Difference" HN 12 0.361 -0.066 0.371 26066
55 1 10 "Average Difference" N 11 2.265 0.671 2.268 26066
56 1 10 "Average Difference" HA 15 0.276 -0.058 0.279 26066
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26066
58 1 10 "Average Difference" CA 14 1.365 0.363 1.366 26066
59 1 10 "Average Difference" CB 12 7.071 -2.344 6.967 26066
60 1 10 "Average Difference" HN 12 0.506 -0.230 0.470 26066
61 1 11 "Average Difference" N 11 2.554 1.241 2.341 26066
62 1 11 "Average Difference" HA 15 0.347 -0.154 0.321 26066
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26066
64 1 11 "Average Difference" CA 14 1.398 0.641 1.290 26066
65 1 11 "Average Difference" CB 12 6.839 -2.604 6.605 26066
66 1 11 "Average Difference" HN 12 0.408 -0.180 0.382 26066
67 1 12 "Average Difference" N 11 2.636 1.301 2.404 26066
68 1 12 "Average Difference" HA 15 0.401 -0.110 0.399 26066
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26066
70 1 12 "Average Difference" CA 14 1.395 0.403 1.385 26066
71 1 12 "Average Difference" CB 12 6.957 -2.579 6.748 26066
72 1 12 "Average Difference" HN 12 0.301 -0.118 0.289 26066
73 1 13 "Average Difference" N 11 2.073 0.458 2.121 26066
74 1 13 "Average Difference" HA 15 0.365 -0.087 0.366 26066
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26066
76 1 13 "Average Difference" CA 14 1.228 0.239 1.250 26066
77 1 13 "Average Difference" CB 12 6.933 -2.127 6.892 26066
78 1 13 "Average Difference" HN 12 0.324 -0.150 0.300 26066
79 1 14 "Average Difference" N 11 2.191 0.695 2.179 26066
80 1 14 "Average Difference" HA 15 0.428 -0.159 0.411 26066
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26066
82 1 14 "Average Difference" CA 14 1.283 0.342 1.283 26066
83 1 14 "Average Difference" CB 12 6.653 -2.110 6.591 26066
84 1 14 "Average Difference" HN 12 0.253 -0.026 0.262 26066
85 1 15 "Average Difference" N 11 2.828 0.529 2.914 26066
86 1 15 "Average Difference" HA 15 0.396 -0.149 0.380 26066
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26066
88 1 15 "Average Difference" CA 14 1.387 0.566 1.314 26066
89 1 15 "Average Difference" CB 12 7.301 -2.519 7.157 26066
90 1 15 "Average Difference" HN 12 0.492 -0.228 0.455 26066
91 1 16 "Average Difference" N 11 2.717 1.410 2.436 26066
92 1 16 "Average Difference" HA 15 0.377 -0.154 0.356 26066
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26066
94 1 16 "Average Difference" CA 14 1.301 0.514 1.240 26066
95 1 16 "Average Difference" CB 12 7.140 -2.566 6.960 26066
96 1 16 "Average Difference" HN 12 0.445 -0.154 0.436 26066
97 1 17 "Average Difference" N 11 2.182 0.877 2.096 26066
98 1 17 "Average Difference" HA 15 0.404 -0.159 0.385 26066
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26066
100 1 17 "Average Difference" CA 14 1.298 0.517 1.235 26066
101 1 17 "Average Difference" CB 12 7.063 -2.332 6.963 26066
102 1 17 "Average Difference" HN 12 0.475 -0.252 0.420 26066
103 1 18 "Average Difference" N 11 2.372 0.422 2.448 26066
104 1 18 "Average Difference" HA 15 0.318 -0.096 0.314 26066
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26066
106 1 18 "Average Difference" CA 14 1.155 0.410 1.121 26066
107 1 18 "Average Difference" CB 12 7.384 -2.337 7.316 26066
108 1 18 "Average Difference" HN 12 0.417 -0.261 0.339 26066
109 1 19 "Average Difference" N 11 2.805 1.206 2.656 26066
110 1 19 "Average Difference" HA 15 0.354 -0.104 0.350 26066
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26066
112 1 19 "Average Difference" CA 14 1.340 0.377 1.335 26066
113 1 19 "Average Difference" CB 12 7.461 -2.711 7.261 26066
114 1 19 "Average Difference" HN 12 0.465 -0.190 0.443 26066
115 1 20 "Average Difference" N 11 2.030 0.819 1.948 26066
116 1 20 "Average Difference" HA 15 0.429 -0.159 0.412 26066
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26066
118 1 20 "Average Difference" CA 14 1.308 0.378 1.299 26066
119 1 20 "Average Difference" CB 12 7.219 -2.493 7.076 26066
120 1 20 "Average Difference" HN 12 0.510 -0.248 0.465 26066
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 26066
_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 ILE N N 2 121.057 121.057 122.394 -1.337 26066
2 1 . 1 1 2 2 ILE HA H 2 4.131 4.131 4.231 -0.100 26066
3 1 . 1 1 2 2 ILE CA C 2 60.837 60.837 60.853 -0.016 26066
4 1 . 1 1 2 2 ILE CB C 2 36.534 36.534 38.235 -1.701 26066
5 1 . 1 1 2 2 ILE H H 2 7.413 7.413 7.759 -0.346 26066
6 1 . 1 1 3 3 CYS N N 3 126.411 126.411 126.035 0.376 26066
7 1 . 1 1 3 3 CYS HA H 3 5.648 5.648 4.619 1.029 26066
8 1 . 1 1 3 3 CYS CA C 3 55.624 55.624 58.331 -2.707 26066
9 1 . 1 1 3 3 CYS CB C 3 47.273 47.273 28.818 18.455 26066
10 1 . 1 1 3 3 CYS H H 3 8.642 8.642 8.705 -0.063 26066
11 1 . 1 1 4 4 PHE N N 4 121.069 121.069 123.153 -2.084 26066
12 1 . 1 1 4 4 PHE HA H 4 4.857 4.857 4.925 -0.068 26066
13 1 . 1 1 4 4 PHE CA C 4 55.968 55.968 56.241 -0.273 26066
14 1 . 1 1 4 4 PHE CB C 4 41.208 41.208 41.528 -0.320 26066
15 1 . 1 1 4 4 PHE H H 4 8.979 8.979 8.333 0.646 26066
16 1 . 1 1 5 5 LYS N N 5 119.330 119.330 123.040 -3.710 26066
17 1 . 1 1 5 5 LYS HA H 5 4.897 4.897 4.461 0.436 26066
18 1 . 1 1 5 5 LYS CA C 5 54.575 54.575 55.500 -0.925 26066
19 1 . 1 1 5 5 LYS CB C 5 33.685 33.685 33.379 0.306 26066
20 1 . 1 1 5 5 LYS H H 5 8.420 8.420 8.486 -0.066 26066
21 1 . 1 1 6 6 ASP N N 6 127.302 127.302 125.763 1.539 26066
22 1 . 1 1 6 6 ASP HA H 6 4.758 4.758 4.949 -0.191 26066
23 1 . 1 1 6 6 ASP CA C 6 52.408 52.408 52.420 -0.012 26066
24 1 . 1 1 6 6 ASP CB C 6 40.585 40.585 41.470 -0.885 26066
25 1 . 1 1 6 6 ASP H H 6 8.765 8.765 8.279 0.486 26066
26 1 . 1 1 7 7 PRO HA H 7 4.216 4.216 4.332 -0.116 26066
27 1 . 1 1 7 7 PRO CA C 7 64.682 64.682 64.578 0.104 26066
28 1 . 1 1 7 7 PRO CB C 7 31.496 31.496 31.615 -0.119 26066
29 1 . 1 1 8 8 PHE N N 8 115.531 115.531 117.415 -1.884 26066
30 1 . 1 1 8 8 PHE HA H 8 4.623 4.623 4.520 0.103 26066
31 1 . 1 1 8 8 PHE CA C 8 56.595 56.595 58.441 -1.846 26066
32 1 . 1 1 8 8 PHE CB C 8 38.495 38.495 38.972 -0.478 26066
33 1 . 1 1 8 8 PHE H H 8 7.905 7.905 8.101 -0.196 26066
34 1 . 1 1 9 9 GLY N N 9 108.059 108.059 106.923 1.136 26066
35 1 . 1 1 9 9 GLY CA C 9 45.233 45.233 44.859 0.374 26066
36 1 . 1 1 9 9 GLY H H 9 8.126 8.126 7.702 0.424 26066
37 1 . 1 1 10 10 SER HA H 10 4.581 4.581 4.532 0.049 26066
38 1 . 1 1 10 10 SER CA C 10 58.095 58.095 58.526 -0.431 26066
39 1 . 1 1 10 10 SER H H 10 8.422 8.422 8.057 0.365 26066
40 1 . 1 1 11 11 THR N N 11 119.831 119.831 119.272 0.559 26066
41 1 . 1 1 11 11 THR HA H 11 4.590 4.590 4.443 0.147 26066
42 1 . 1 1 11 11 THR CA C 11 62.893 62.893 62.190 0.704 26066
43 1 . 1 1 11 11 THR CB C 11 69.249 69.249 69.300 -0.051 26066
44 1 . 1 1 11 11 THR H H 11 8.620 8.620 8.317 0.303 26066
45 1 . 1 1 12 12 LEU N N 12 130.204 130.204 129.232 0.972 26066
46 1 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.645 -0.114 26066
47 1 . 1 1 12 12 LEU CA C 12 53.760 53.760 54.028 -0.268 26066
48 1 . 1 1 12 12 LEU CB C 12 43.804 43.804 45.309 -1.505 26066
49 1 . 1 1 12 12 LEU H H 12 8.771 8.771 8.168 0.603 26066
50 1 . 1 1 13 13 CYS N N 13 120.436 120.436 120.939 -0.503 26066
51 1 . 1 1 13 13 CYS HA H 13 5.178 5.178 4.786 0.392 26066
52 1 . 1 1 13 13 CYS CA C 13 55.296 55.296 57.844 -2.548 26066
53 1 . 1 1 13 13 CYS CB C 13 46.925 46.925 30.883 16.042 26066
54 1 . 1 1 13 13 CYS H H 13 8.621 8.621 8.474 0.147 26066
55 1 . 1 1 14 14 ALA N N 14 121.212 121.212 125.737 -4.525 26066
56 1 . 1 1 14 14 ALA HA H 14 4.769 4.769 4.935 -0.166 26066
57 1 . 1 1 14 14 ALA CA C 14 50.529 50.529 49.766 0.763 26066
58 1 . 1 1 14 14 ALA CB C 14 18.784 18.784 19.043 -0.259 26066
59 1 . 1 1 14 14 ALA H H 14 8.455 8.455 8.647 -0.192 26066
60 1 . 1 1 15 15 PRO HA H 15 4.321 4.321 4.379 -0.058 26066
61 1 . 1 1 15 15 PRO CA C 15 64.922 64.922 63.739 1.183 26066
62 1 . 1 1 15 15 PRO CB C 15 31.631 31.631 31.935 -0.304 26066
stop_
save_