data_19683
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19683
_Entry.PDB_ID 2MIJ
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 19683
_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 LEU N N 2 121.139 121.139 120.064 1.075 19683
2 1 1 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.910 0.506 19683
3 1 1 . 1 1 2 2 LEU CA C 2 55.001 55.001 54.527 0.474 19683
4 1 1 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.433 3.522 19683
5 1 1 . 1 1 2 2 LEU H H 2 8.344 8.344 7.931 0.413 19683
6 1 1 . 1 1 3 3 GLY N N 3 108.320 108.320 105.473 2.847 19683
7 1 1 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.871 0.626 19683
8 1 1 . 1 1 3 3 GLY H H 3 8.344 8.344 7.790 0.554 19683
9 1 1 . 1 1 4 4 LYS N N 4 119.456 119.456 122.056 -2.600 19683
10 1 1 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.079 -0.091 19683
11 1 1 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.567 -2.786 19683
12 1 1 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.053 9.072 19683
13 1 1 . 1 1 4 4 LYS H H 4 8.494 8.494 8.288 0.206 19683
14 1 1 . 1 1 5 5 ALA N N 5 121.755 121.755 126.557 -4.802 19683
15 1 1 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.977 0.287 19683
16 1 1 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.107 1.253 19683
17 1 1 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.225 0.947 19683
18 1 1 . 1 1 5 5 ALA H H 5 8.748 8.748 8.929 -0.181 19683
19 1 1 . 1 1 6 6 GLN N N 6 119.671 119.671 118.406 1.265 19683
20 1 1 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.101 0.116 19683
21 1 1 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.636 0.673 19683
22 1 1 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.778 -0.259 19683
23 1 1 . 1 1 6 6 GLN H H 6 8.148 8.148 7.810 0.338 19683
24 1 1 . 1 1 7 7 CYS N N 7 119.391 119.391 118.785 0.606 19683
25 1 1 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.240 0.396 19683
26 1 1 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.796 -1.905 19683
27 1 1 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.246 14.498 19683
28 1 1 . 1 1 7 7 CYS H H 7 8.623 8.623 8.177 0.446 19683
29 1 1 . 1 1 8 8 ALA N N 8 124.035 124.035 121.581 2.454 19683
30 1 1 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.259 0.145 19683
31 1 1 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.322 0.266 19683
32 1 1 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.272 -0.523 19683
33 1 1 . 1 1 8 8 ALA H H 8 8.498 8.498 8.486 0.012 19683
34 1 1 . 1 1 9 9 ALA N N 9 120.921 120.921 121.240 -0.319 19683
35 1 1 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.111 0.166 19683
36 1 1 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.801 0.551 19683
37 1 1 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.244 -0.225 19683
38 1 1 . 1 1 9 9 ALA H H 9 7.724 7.724 8.300 -0.576 19683
39 1 1 . 1 1 10 10 LEU N N 10 119.961 119.961 120.507 -0.546 19683
40 1 1 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.148 0.096 19683
41 1 1 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.962 -0.210 19683
42 1 1 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.857 1.762 19683
43 1 1 . 1 1 10 10 LEU H H 10 8.184 8.184 7.763 0.421 19683
44 1 1 . 1 1 11 11 TRP N N 11 120.212 120.212 118.962 1.250 19683
45 1 1 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.420 -0.719 19683
46 1 1 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.386 1.169 19683
47 1 1 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.377 -1.245 19683
48 1 1 . 1 1 11 11 TRP H H 11 8.788 8.788 7.730 1.058 19683
49 1 1 . 1 1 12 12 LEU N N 12 117.556 117.556 119.982 -2.426 19683
50 1 1 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.122 0.681 19683
51 1 1 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.039 1.002 19683
52 1 1 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.211 0.608 19683
53 1 1 . 1 1 12 12 LEU H H 12 7.733 7.733 8.071 -0.338 19683
54 1 1 . 1 1 13 13 GLN N N 13 118.567 118.567 118.724 -0.157 19683
55 1 1 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.923 0.024 19683
56 1 1 . 1 1 13 13 GLN CA C 13 58.688 58.688 59.042 -0.354 19683
57 1 1 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.880 1.136 19683
58 1 1 . 1 1 13 13 GLN H H 13 7.738 7.738 8.769 -1.031 19683
59 1 1 . 1 1 14 14 CYS N N 14 118.351 118.351 116.666 1.685 19683
60 1 1 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.158 0.177 19683
61 1 1 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.362 -2.604 19683
62 1 1 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.570 13.144 19683
63 1 1 . 1 1 14 14 CYS H H 14 8.213 8.213 7.515 0.698 19683
64 1 1 . 1 1 15 15 ALA N N 15 121.693 121.693 121.868 -0.175 19683
65 1 1 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.979 -0.213 19683
66 1 1 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.479 -0.430 19683
67 1 1 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.775 -0.992 19683
68 1 1 . 1 1 15 15 ALA H H 15 8.173 8.173 7.530 0.643 19683
69 1 1 . 1 1 16 16 SER N N 16 111.866 111.866 113.317 -1.451 19683
70 1 1 . 1 1 16 16 SER HA H 16 4.337 4.337 4.493 -0.156 19683
71 1 1 . 1 1 16 16 SER CA C 16 59.453 59.453 58.383 1.070 19683
72 1 1 . 1 1 16 16 SER CB C 16 63.733 63.733 65.303 -1.570 19683
73 1 1 . 1 1 16 16 SER H H 16 7.607 7.607 7.962 -0.355 19683
74 1 1 . 1 1 17 17 GLY N N 17 109.738 109.738 111.499 -1.761 19683
75 1 1 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.895 0.711 19683
76 1 1 . 1 1 17 17 GLY H H 17 7.841 7.841 8.410 -0.569 19683
77 1 1 . 1 1 18 18 GLY N N 18 108.279 108.279 107.916 0.363 19683
78 1 1 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.285 1.516 19683
79 1 1 . 1 1 18 18 GLY H H 18 8.158 8.158 7.685 0.473 19683
80 1 1 . 1 1 19 19 THR N N 19 113.347 113.347 112.301 1.046 19683
81 1 1 . 1 1 19 19 THR HA H 19 4.359 4.359 4.389 -0.030 19683
82 1 1 . 1 1 19 19 THR CA C 19 62.334 62.334 60.017 2.317 19683
83 1 1 . 1 1 19 19 THR CB C 19 69.872 69.872 70.564 -0.692 19683
84 1 1 . 1 1 19 19 THR H H 19 8.064 8.064 7.221 0.843 19683
85 1 1 . 1 1 20 20 ILE N N 20 122.333 122.333 120.366 1.967 19683
86 1 1 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.047 0.098 19683
87 1 1 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.720 -0.811 19683
88 1 1 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.543 0.785 19683
89 1 1 . 1 1 20 20 ILE H H 20 8.061 8.061 8.687 -0.626 19683
90 1 1 . 1 1 21 21 GLY N N 21 112.495 112.495 108.561 3.934 19683
91 1 1 . 1 1 21 21 GLY CA C 21 45.302 45.302 45.047 0.255 19683
92 1 1 . 1 1 21 21 GLY H H 21 8.423 8.423 7.836 0.587 19683
93 1 1 . 1 1 22 22 CYS N N 22 120.376 120.376 118.880 1.496 19683
94 1 1 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.156 0.517 19683
95 1 1 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.223 1.854 19683
96 1 1 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.391 8.441 19683
97 1 1 . 1 1 22 22 CYS H H 22 8.284 8.284 7.646 0.638 19683
98 1 1 . 1 1 23 23 GLY N N 23 112.782 112.782 116.135 -3.353 19683
99 1 1 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.915 1.070 19683
100 1 1 . 1 1 23 23 GLY H H 23 8.656 8.656 8.408 0.248 19683
101 1 1 . 1 1 24 24 GLY N N 24 108.819 108.819 111.325 -2.506 19683
102 1 1 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.035 0.443 19683
103 1 1 . 1 1 24 24 GLY H H 24 8.371 8.371 8.381 -0.010 19683
104 1 1 . 1 1 25 25 GLY N N 25 109.405 109.405 107.664 1.741 19683
105 1 1 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.438 0.702 19683
106 1 1 . 1 1 25 25 GLY H H 25 8.397 8.397 8.710 -0.313 19683
107 1 1 . 1 1 26 26 ALA N N 26 123.138 123.138 124.032 -0.894 19683
108 1 1 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.134 0.027 19683
109 1 1 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.512 0.303 19683
110 1 1 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.525 0.295 19683
111 1 1 . 1 1 26 26 ALA H H 26 8.064 8.064 7.899 0.165 19683
112 1 1 . 1 1 27 27 VAL N N 27 119.932 119.932 118.646 1.286 19683
113 1 1 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.811 -0.036 19683
114 1 1 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.150 1.686 19683
115 1 1 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.683 0.225 19683
116 1 1 . 1 1 27 27 VAL H H 27 8.102 8.102 7.683 0.419 19683
117 1 1 . 1 1 28 28 ALA N N 28 122.939 122.939 121.677 1.262 19683
118 1 1 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.073 0.176 19683
119 1 1 . 1 1 28 28 ALA CA C 28 55.751 55.751 54.963 0.788 19683
120 1 1 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.923 0.437 19683
121 1 1 . 1 1 28 28 ALA H H 28 8.032 8.032 8.212 -0.180 19683
122 1 1 . 1 1 29 29 CYS N N 29 114.339 114.339 117.421 -3.082 19683
123 1 1 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.244 0.208 19683
124 1 1 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.381 -6.384 19683
125 1 1 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.304 12.576 19683
126 1 1 . 1 1 29 29 CYS H H 29 8.278 8.278 7.864 0.414 19683
127 1 1 . 1 1 30 30 GLN N N 30 121.500 121.500 120.120 1.380 19683
128 1 1 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.110 -0.024 19683
129 1 1 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.561 0.642 19683
130 1 1 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.461 0.772 19683
131 1 1 . 1 1 30 30 GLN H H 30 8.118 8.118 8.158 -0.040 19683
132 1 1 . 1 1 31 31 ASN N N 31 119.134 119.134 119.145 -0.011 19683
133 1 1 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.361 0.171 19683
134 1 1 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.705 2.712 19683
135 1 1 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.568 -0.035 19683
136 1 1 . 1 1 31 31 ASN H H 31 8.724 8.724 8.132 0.592 19683
137 1 1 . 1 1 32 32 TYR N N 32 122.198 122.198 121.834 0.364 19683
138 1 1 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.311 -0.416 19683
139 1 1 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.182 0.802 19683
140 1 1 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.505 0.138 19683
141 1 1 . 1 1 32 32 TYR H H 32 8.869 8.869 7.824 1.045 19683
142 1 1 . 1 1 33 33 ARG N N 33 117.088 117.088 119.050 -1.962 19683
143 1 1 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.192 -0.288 19683
144 1 1 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.828 0.471 19683
145 1 1 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.631 0.503 19683
146 1 1 . 1 1 33 33 ARG H H 33 8.068 8.068 8.032 0.036 19683
147 1 1 . 1 1 34 34 GLN N N 34 115.563 115.563 118.058 -2.495 19683
148 1 1 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.974 -0.027 19683
149 1 1 . 1 1 34 34 GLN CA C 34 58.242 58.242 57.830 0.412 19683
150 1 1 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.303 1.024 19683
151 1 1 . 1 1 34 34 GLN H H 34 7.705 7.705 7.679 0.026 19683
152 1 1 . 1 1 35 35 PHE N N 35 113.257 113.257 118.243 -4.986 19683
153 1 1 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.406 0.580 19683
154 1 1 . 1 1 35 35 PHE CA C 35 58.275 58.275 60.097 -1.822 19683
155 1 1 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.230 1.194 19683
156 1 1 . 1 1 35 35 PHE H H 35 7.993 7.993 7.812 0.181 19683
157 1 1 . 1 1 36 36 CYS N N 36 117.360 117.360 118.974 -1.614 19683
158 1 1 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.522 0.335 19683
159 1 1 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.525 -1.699 19683
160 1 1 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.044 17.021 19683
161 1 1 . 1 1 36 36 CYS H H 36 8.095 8.095 8.163 -0.068 19683
162 1 2 . 1 1 2 2 LEU N N 2 121.139 121.139 119.478 1.661 19683
163 1 2 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.909 0.507 19683
164 1 2 . 1 1 2 2 LEU CA C 2 55.001 55.001 54.773 0.228 19683
165 1 2 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.190 3.765 19683
166 1 2 . 1 1 2 2 LEU H H 2 8.344 8.344 7.996 0.348 19683
167 1 2 . 1 1 3 3 GLY N N 3 108.320 108.320 105.309 3.011 19683
168 1 2 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.093 0.404 19683
169 1 2 . 1 1 3 3 GLY H H 3 8.344 8.344 7.713 0.631 19683
170 1 2 . 1 1 4 4 LYS N N 4 119.456 119.456 122.061 -2.605 19683
171 1 2 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.097 -0.109 19683
172 1 2 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.547 -2.766 19683
173 1 2 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.065 9.060 19683
174 1 2 . 1 1 4 4 LYS H H 4 8.494 8.494 8.284 0.210 19683
175 1 2 . 1 1 5 5 ALA N N 5 121.755 121.755 126.512 -4.757 19683
176 1 2 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.987 0.277 19683
177 1 2 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.057 1.303 19683
178 1 2 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.235 0.937 19683
179 1 2 . 1 1 5 5 ALA H H 5 8.748 8.748 8.929 -0.181 19683
180 1 2 . 1 1 6 6 GLN N N 6 119.671 119.671 118.490 1.181 19683
181 1 2 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.109 0.108 19683
182 1 2 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.684 0.625 19683
183 1 2 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.816 -0.297 19683
184 1 2 . 1 1 6 6 GLN H H 6 8.148 8.148 7.831 0.317 19683
185 1 2 . 1 1 7 7 CYS N N 7 119.391 119.391 118.918 0.473 19683
186 1 2 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.262 0.374 19683
187 1 2 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.291 -1.400 19683
188 1 2 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.225 14.519 19683
189 1 2 . 1 1 7 7 CYS H H 7 8.623 8.623 8.057 0.566 19683
190 1 2 . 1 1 8 8 ALA N N 8 124.035 124.035 122.283 1.752 19683
191 1 2 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.268 0.136 19683
192 1 2 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.265 0.323 19683
193 1 2 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.305 -0.556 19683
194 1 2 . 1 1 8 8 ALA H H 8 8.498 8.498 8.480 0.018 19683
195 1 2 . 1 1 9 9 ALA N N 9 120.921 120.921 121.374 -0.453 19683
196 1 2 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.112 0.165 19683
197 1 2 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.825 0.527 19683
198 1 2 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.241 -0.222 19683
199 1 2 . 1 1 9 9 ALA H H 9 7.724 7.724 8.311 -0.587 19683
200 1 2 . 1 1 10 10 LEU N N 10 119.961 119.961 121.039 -1.078 19683
201 1 2 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.158 0.086 19683
202 1 2 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.233 -0.481 19683
203 1 2 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.855 1.764 19683
204 1 2 . 1 1 10 10 LEU H H 10 8.184 8.184 7.843 0.341 19683
205 1 2 . 1 1 11 11 TRP N N 11 120.212 120.212 118.704 1.508 19683
206 1 2 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.413 -0.712 19683
207 1 2 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.339 1.216 19683
208 1 2 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.250 -1.118 19683
209 1 2 . 1 1 11 11 TRP H H 11 8.788 8.788 7.737 1.051 19683
210 1 2 . 1 1 12 12 LEU N N 12 117.556 117.556 120.070 -2.514 19683
211 1 2 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.112 0.691 19683
212 1 2 . 1 1 12 12 LEU CA C 12 58.041 58.041 56.935 1.106 19683
213 1 2 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.373 0.446 19683
214 1 2 . 1 1 12 12 LEU H H 12 7.733 7.733 7.980 -0.247 19683
215 1 2 . 1 1 13 13 GLN N N 13 118.567 118.567 118.904 -0.337 19683
216 1 2 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.876 0.071 19683
217 1 2 . 1 1 13 13 GLN CA C 13 58.688 58.688 59.121 -0.433 19683
218 1 2 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.385 0.631 19683
219 1 2 . 1 1 13 13 GLN H H 13 7.738 7.738 8.722 -0.984 19683
220 1 2 . 1 1 14 14 CYS N N 14 118.351 118.351 116.532 1.819 19683
221 1 2 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.205 0.130 19683
222 1 2 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.071 -2.313 19683
223 1 2 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.211 13.503 19683
224 1 2 . 1 1 14 14 CYS H H 14 8.213 8.213 7.574 0.639 19683
225 1 2 . 1 1 15 15 ALA N N 15 121.693 121.693 122.629 -0.936 19683
226 1 2 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.927 -0.161 19683
227 1 2 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.388 -0.339 19683
228 1 2 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.673 -0.890 19683
229 1 2 . 1 1 15 15 ALA H H 15 8.173 8.173 7.582 0.591 19683
230 1 2 . 1 1 16 16 SER N N 16 111.866 111.866 112.555 -0.689 19683
231 1 2 . 1 1 16 16 SER HA H 16 4.337 4.337 4.488 -0.151 19683
232 1 2 . 1 1 16 16 SER CA C 16 59.453 59.453 58.419 1.034 19683
233 1 2 . 1 1 16 16 SER CB C 16 63.733 63.733 64.690 -0.957 19683
234 1 2 . 1 1 16 16 SER H H 16 7.607 7.607 8.017 -0.410 19683
235 1 2 . 1 1 17 17 GLY N N 17 109.738 109.738 110.090 -0.352 19683
236 1 2 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.675 0.931 19683
237 1 2 . 1 1 17 17 GLY H H 17 7.841 7.841 7.807 0.034 19683
238 1 2 . 1 1 18 18 GLY N N 18 108.279 108.279 107.318 0.961 19683
239 1 2 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.248 1.552 19683
240 1 2 . 1 1 18 18 GLY H H 18 8.158 8.158 7.642 0.516 19683
241 1 2 . 1 1 19 19 THR N N 19 113.347 113.347 113.831 -0.484 19683
242 1 2 . 1 1 19 19 THR HA H 19 4.359 4.359 4.558 -0.199 19683
243 1 2 . 1 1 19 19 THR CA C 19 62.334 62.334 60.299 2.035 19683
244 1 2 . 1 1 19 19 THR CB C 19 69.872 69.872 71.418 -1.546 19683
245 1 2 . 1 1 19 19 THR H H 19 8.064 8.064 7.858 0.206 19683
246 1 2 . 1 1 20 20 ILE N N 20 122.333 122.333 122.687 -0.354 19683
247 1 2 . 1 1 20 20 ILE HA H 20 4.145 4.145 3.978 0.167 19683
248 1 2 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.207 -1.298 19683
249 1 2 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.077 0.251 19683
250 1 2 . 1 1 20 20 ILE H H 20 8.061 8.061 8.752 -0.691 19683
251 1 2 . 1 1 21 21 GLY N N 21 112.495 112.495 107.148 5.347 19683
252 1 2 . 1 1 21 21 GLY CA C 21 45.302 45.302 45.031 0.271 19683
253 1 2 . 1 1 21 21 GLY H H 21 8.423 8.423 7.970 0.453 19683
254 1 2 . 1 1 22 22 CYS N N 22 120.376 120.376 118.074 2.302 19683
255 1 2 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.193 0.480 19683
256 1 2 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.166 1.911 19683
257 1 2 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.680 8.152 19683
258 1 2 . 1 1 22 22 CYS H H 22 8.284 8.284 7.526 0.758 19683
259 1 2 . 1 1 23 23 GLY N N 23 112.782 112.782 116.412 -3.630 19683
260 1 2 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.872 1.113 19683
261 1 2 . 1 1 23 23 GLY H H 23 8.656 8.656 8.322 0.334 19683
262 1 2 . 1 1 24 24 GLY N N 24 108.819 108.819 111.869 -3.050 19683
263 1 2 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.039 0.439 19683
264 1 2 . 1 1 24 24 GLY H H 24 8.371 8.371 8.413 -0.042 19683
265 1 2 . 1 1 25 25 GLY N N 25 109.405 109.405 108.418 0.987 19683
266 1 2 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.636 0.504 19683
267 1 2 . 1 1 25 25 GLY H H 25 8.397 8.397 8.965 -0.568 19683
268 1 2 . 1 1 26 26 ALA N N 26 123.138 123.138 123.701 -0.563 19683
269 1 2 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.150 0.011 19683
270 1 2 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.534 0.281 19683
271 1 2 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.612 0.208 19683
272 1 2 . 1 1 26 26 ALA H H 26 8.064 8.064 7.944 0.120 19683
273 1 2 . 1 1 27 27 VAL N N 27 119.932 119.932 118.879 1.053 19683
274 1 2 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.841 -0.066 19683
275 1 2 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.080 1.756 19683
276 1 2 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.840 0.068 19683
277 1 2 . 1 1 27 27 VAL H H 27 8.102 8.102 7.635 0.467 19683
278 1 2 . 1 1 28 28 ALA N N 28 122.939 122.939 121.907 1.032 19683
279 1 2 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.084 0.165 19683
280 1 2 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.081 0.670 19683
281 1 2 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.832 0.528 19683
282 1 2 . 1 1 28 28 ALA H H 28 8.032 8.032 7.957 0.075 19683
283 1 2 . 1 1 29 29 CYS N N 29 114.339 114.339 117.267 -2.928 19683
284 1 2 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.240 0.212 19683
285 1 2 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.229 -6.232 19683
286 1 2 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.531 12.349 19683
287 1 2 . 1 1 29 29 CYS H H 29 8.278 8.278 7.791 0.487 19683
288 1 2 . 1 1 30 30 GLN N N 30 121.500 121.500 119.249 2.251 19683
289 1 2 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.100 -0.014 19683
290 1 2 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.464 0.739 19683
291 1 2 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.756 0.476 19683
292 1 2 . 1 1 30 30 GLN H H 30 8.118 8.118 8.085 0.033 19683
293 1 2 . 1 1 31 31 ASN N N 31 119.134 119.134 119.107 0.027 19683
294 1 2 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.315 0.217 19683
295 1 2 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.636 2.781 19683
296 1 2 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.569 -0.036 19683
297 1 2 . 1 1 31 31 ASN H H 31 8.724 8.724 8.159 0.565 19683
298 1 2 . 1 1 32 32 TYR N N 32 122.198 122.198 121.786 0.412 19683
299 1 2 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.274 -0.379 19683
300 1 2 . 1 1 32 32 TYR CA C 32 62.984 62.984 61.946 1.038 19683
301 1 2 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.587 0.056 19683
302 1 2 . 1 1 32 32 TYR H H 32 8.869 8.869 7.804 1.065 19683
303 1 2 . 1 1 33 33 ARG N N 33 117.088 117.088 119.431 -2.343 19683
304 1 2 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.143 -0.239 19683
305 1 2 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.462 0.837 19683
306 1 2 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.458 0.677 19683
307 1 2 . 1 1 33 33 ARG H H 33 8.068 8.068 7.940 0.128 19683
308 1 2 . 1 1 34 34 GLN N N 34 115.563 115.563 117.544 -1.981 19683
309 1 2 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.939 0.008 19683
310 1 2 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.331 -0.090 19683
311 1 2 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.637 0.690 19683
312 1 2 . 1 1 34 34 GLN H H 34 7.705 7.705 7.490 0.215 19683
313 1 2 . 1 1 35 35 PHE N N 35 113.257 113.257 117.035 -3.778 19683
314 1 2 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.435 0.551 19683
315 1 2 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.888 -1.613 19683
316 1 2 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.327 1.097 19683
317 1 2 . 1 1 35 35 PHE H H 35 7.993 7.993 7.922 0.071 19683
318 1 2 . 1 1 36 36 CYS N N 36 117.360 117.360 119.601 -2.241 19683
319 1 2 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.581 0.276 19683
320 1 2 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.128 -1.302 19683
321 1 2 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.065 17.000 19683
322 1 2 . 1 1 36 36 CYS H H 36 8.095 8.095 8.348 -0.253 19683
323 1 3 . 1 1 2 2 LEU N N 2 121.139 121.139 117.519 3.620 19683
324 1 3 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.907 0.509 19683
325 1 3 . 1 1 2 2 LEU CA C 2 55.001 55.001 54.960 0.041 19683
326 1 3 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.836 3.119 19683
327 1 3 . 1 1 2 2 LEU H H 2 8.344 8.344 8.364 -0.020 19683
328 1 3 . 1 1 3 3 GLY N N 3 108.320 108.320 105.488 2.832 19683
329 1 3 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.538 0.959 19683
330 1 3 . 1 1 3 3 GLY H H 3 8.344 8.344 7.715 0.629 19683
331 1 3 . 1 1 4 4 LYS N N 4 119.456 119.456 121.851 -2.395 19683
332 1 3 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.120 -0.132 19683
333 1 3 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.562 -2.781 19683
334 1 3 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.039 9.086 19683
335 1 3 . 1 1 4 4 LYS H H 4 8.494 8.494 8.306 0.188 19683
336 1 3 . 1 1 5 5 ALA N N 5 121.755 121.755 126.585 -4.830 19683
337 1 3 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.987 0.277 19683
338 1 3 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.068 1.292 19683
339 1 3 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.212 0.960 19683
340 1 3 . 1 1 5 5 ALA H H 5 8.748 8.748 8.931 -0.183 19683
341 1 3 . 1 1 6 6 GLN N N 6 119.671 119.671 118.475 1.196 19683
342 1 3 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.107 0.110 19683
343 1 3 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.630 0.679 19683
344 1 3 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.784 -0.265 19683
345 1 3 . 1 1 6 6 GLN H H 6 8.148 8.148 7.818 0.330 19683
346 1 3 . 1 1 7 7 CYS N N 7 119.391 119.391 118.815 0.576 19683
347 1 3 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.237 0.399 19683
348 1 3 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.803 -1.912 19683
349 1 3 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.223 14.521 19683
350 1 3 . 1 1 7 7 CYS H H 7 8.623 8.623 8.134 0.489 19683
351 1 3 . 1 1 8 8 ALA N N 8 124.035 124.035 121.591 2.444 19683
352 1 3 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.244 0.160 19683
353 1 3 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.347 0.241 19683
354 1 3 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.276 -0.527 19683
355 1 3 . 1 1 8 8 ALA H H 8 8.498 8.498 8.479 0.019 19683
356 1 3 . 1 1 9 9 ALA N N 9 120.921 120.921 121.241 -0.320 19683
357 1 3 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.114 0.163 19683
358 1 3 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.807 0.545 19683
359 1 3 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.250 -0.231 19683
360 1 3 . 1 1 9 9 ALA H H 9 7.724 7.724 8.240 -0.516 19683
361 1 3 . 1 1 10 10 LEU N N 10 119.961 119.961 120.519 -0.558 19683
362 1 3 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.142 0.102 19683
363 1 3 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.993 -0.241 19683
364 1 3 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.843 1.776 19683
365 1 3 . 1 1 10 10 LEU H H 10 8.184 8.184 7.831 0.353 19683
366 1 3 . 1 1 11 11 TRP N N 11 120.212 120.212 118.919 1.293 19683
367 1 3 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.415 -0.714 19683
368 1 3 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.412 1.143 19683
369 1 3 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.330 -1.198 19683
370 1 3 . 1 1 11 11 TRP H H 11 8.788 8.788 7.743 1.045 19683
371 1 3 . 1 1 12 12 LEU N N 12 117.556 117.556 120.261 -2.705 19683
372 1 3 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.062 0.741 19683
373 1 3 . 1 1 12 12 LEU CA C 12 58.041 58.041 56.986 1.055 19683
374 1 3 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.214 0.605 19683
375 1 3 . 1 1 12 12 LEU H H 12 7.733 7.733 8.078 -0.345 19683
376 1 3 . 1 1 13 13 GLN N N 13 118.567 118.567 119.073 -0.506 19683
377 1 3 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.857 0.090 19683
378 1 3 . 1 1 13 13 GLN CA C 13 58.688 58.688 59.260 -0.572 19683
379 1 3 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.318 0.698 19683
380 1 3 . 1 1 13 13 GLN H H 13 7.738 7.738 8.820 -1.082 19683
381 1 3 . 1 1 14 14 CYS N N 14 118.351 118.351 116.406 1.945 19683
382 1 3 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.160 0.175 19683
383 1 3 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.346 -2.587 19683
384 1 3 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.548 13.166 19683
385 1 3 . 1 1 14 14 CYS H H 14 8.213 8.213 7.515 0.698 19683
386 1 3 . 1 1 15 15 ALA N N 15 121.693 121.693 121.884 -0.191 19683
387 1 3 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.980 -0.214 19683
388 1 3 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.306 -0.257 19683
389 1 3 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.700 -0.917 19683
390 1 3 . 1 1 15 15 ALA H H 15 8.173 8.173 7.625 0.548 19683
391 1 3 . 1 1 16 16 SER N N 16 111.866 111.866 112.241 -0.375 19683
392 1 3 . 1 1 16 16 SER HA H 16 4.337 4.337 4.559 -0.222 19683
393 1 3 . 1 1 16 16 SER CA C 16 59.453 59.453 58.644 0.809 19683
394 1 3 . 1 1 16 16 SER CB C 16 63.733 63.733 64.977 -1.244 19683
395 1 3 . 1 1 16 16 SER H H 16 7.607 7.607 7.996 -0.389 19683
396 1 3 . 1 1 17 17 GLY N N 17 109.738 109.738 109.652 0.086 19683
397 1 3 . 1 1 17 17 GLY CA C 17 45.606 45.606 45.047 0.559 19683
398 1 3 . 1 1 17 17 GLY H H 17 7.841 7.841 8.430 -0.589 19683
399 1 3 . 1 1 18 18 GLY N N 18 108.279 108.279 108.101 0.178 19683
400 1 3 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.280 1.520 19683
401 1 3 . 1 1 18 18 GLY H H 18 8.158 8.158 7.659 0.499 19683
402 1 3 . 1 1 19 19 THR N N 19 113.347 113.347 112.099 1.248 19683
403 1 3 . 1 1 19 19 THR HA H 19 4.359 4.359 4.453 -0.094 19683
404 1 3 . 1 1 19 19 THR CA C 19 62.334 62.334 60.150 2.184 19683
405 1 3 . 1 1 19 19 THR CB C 19 69.872 69.872 70.602 -0.730 19683
406 1 3 . 1 1 19 19 THR H H 19 8.064 8.064 7.283 0.781 19683
407 1 3 . 1 1 20 20 ILE N N 20 122.333 122.333 120.515 1.818 19683
408 1 3 . 1 1 20 20 ILE HA H 20 4.145 4.145 3.995 0.150 19683
409 1 3 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.941 -1.032 19683
410 1 3 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.434 0.894 19683
411 1 3 . 1 1 20 20 ILE H H 20 8.061 8.061 8.677 -0.616 19683
412 1 3 . 1 1 21 21 GLY N N 21 112.495 112.495 108.398 4.097 19683
413 1 3 . 1 1 21 21 GLY CA C 21 45.302 45.302 45.053 0.249 19683
414 1 3 . 1 1 21 21 GLY H H 21 8.423 8.423 7.840 0.583 19683
415 1 3 . 1 1 22 22 CYS N N 22 120.376 120.376 118.786 1.590 19683
416 1 3 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.147 0.526 19683
417 1 3 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.293 1.784 19683
418 1 3 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.105 8.727 19683
419 1 3 . 1 1 22 22 CYS H H 22 8.284 8.284 7.574 0.710 19683
420 1 3 . 1 1 23 23 GLY N N 23 112.782 112.782 114.542 -1.760 19683
421 1 3 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.967 1.018 19683
422 1 3 . 1 1 23 23 GLY H H 23 8.656 8.656 8.337 0.319 19683
423 1 3 . 1 1 24 24 GLY N N 24 108.819 108.819 111.707 -2.888 19683
424 1 3 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.036 0.442 19683
425 1 3 . 1 1 24 24 GLY H H 24 8.371 8.371 8.385 -0.014 19683
426 1 3 . 1 1 25 25 GLY N N 25 109.405 109.405 106.866 2.539 19683
427 1 3 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.858 0.282 19683
428 1 3 . 1 1 25 25 GLY H H 25 8.397 8.397 8.777 -0.380 19683
429 1 3 . 1 1 26 26 ALA N N 26 123.138 123.138 122.818 0.320 19683
430 1 3 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.071 0.090 19683
431 1 3 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.309 0.506 19683
432 1 3 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.489 0.331 19683
433 1 3 . 1 1 26 26 ALA H H 26 8.064 8.064 7.597 0.467 19683
434 1 3 . 1 1 27 27 VAL N N 27 119.932 119.932 118.871 1.061 19683
435 1 3 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.880 -0.105 19683
436 1 3 . 1 1 27 27 VAL CA C 27 65.836 65.836 63.939 1.897 19683
437 1 3 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.173 0.735 19683
438 1 3 . 1 1 27 27 VAL H H 27 8.102 8.102 7.672 0.430 19683
439 1 3 . 1 1 28 28 ALA N N 28 122.939 122.939 122.025 0.914 19683
440 1 3 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.090 0.159 19683
441 1 3 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.084 0.667 19683
442 1 3 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.952 0.408 19683
443 1 3 . 1 1 28 28 ALA H H 28 8.032 8.032 8.157 -0.125 19683
444 1 3 . 1 1 29 29 CYS N N 29 114.339 114.339 117.162 -2.823 19683
445 1 3 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.247 0.205 19683
446 1 3 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.052 -6.055 19683
447 1 3 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.448 12.432 19683
448 1 3 . 1 1 29 29 CYS H H 29 8.278 8.278 7.798 0.480 19683
449 1 3 . 1 1 30 30 GLN N N 30 121.500 121.500 120.285 1.215 19683
450 1 3 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.118 -0.032 19683
451 1 3 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.561 0.642 19683
452 1 3 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.656 0.577 19683
453 1 3 . 1 1 30 30 GLN H H 30 8.118 8.118 8.190 -0.072 19683
454 1 3 . 1 1 31 31 ASN N N 31 119.134 119.134 119.082 0.052 19683
455 1 3 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.348 0.184 19683
456 1 3 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.603 2.814 19683
457 1 3 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.592 -0.059 19683
458 1 3 . 1 1 31 31 ASN H H 31 8.724 8.724 8.069 0.655 19683
459 1 3 . 1 1 32 32 TYR N N 32 122.198 122.198 121.769 0.429 19683
460 1 3 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.288 -0.393 19683
461 1 3 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.169 0.815 19683
462 1 3 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.513 0.130 19683
463 1 3 . 1 1 32 32 TYR H H 32 8.869 8.869 7.843 1.026 19683
464 1 3 . 1 1 33 33 ARG N N 33 117.088 117.088 119.067 -1.979 19683
465 1 3 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.172 -0.268 19683
466 1 3 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.944 0.355 19683
467 1 3 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.820 0.315 19683
468 1 3 . 1 1 33 33 ARG H H 33 8.068 8.068 8.004 0.064 19683
469 1 3 . 1 1 34 34 GLN N N 34 115.563 115.563 117.948 -2.385 19683
470 1 3 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.927 0.020 19683
471 1 3 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.359 -0.117 19683
472 1 3 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.649 0.678 19683
473 1 3 . 1 1 34 34 GLN H H 34 7.705 7.705 7.562 0.143 19683
474 1 3 . 1 1 35 35 PHE N N 35 113.257 113.257 117.174 -3.917 19683
475 1 3 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.447 0.539 19683
476 1 3 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.868 -1.593 19683
477 1 3 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.396 1.028 19683
478 1 3 . 1 1 35 35 PHE H H 35 7.993 7.993 7.871 0.122 19683
479 1 3 . 1 1 36 36 CYS N N 36 117.360 117.360 119.512 -2.152 19683
480 1 3 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.588 0.269 19683
481 1 3 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.115 -1.289 19683
482 1 3 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.099 16.966 19683
483 1 3 . 1 1 36 36 CYS H H 36 8.095 8.095 8.344 -0.249 19683
484 1 4 . 1 1 2 2 LEU N N 2 121.139 121.139 119.823 1.316 19683
485 1 4 . 1 1 2 2 LEU HA H 2 4.416 4.416 4.032 0.384 19683
486 1 4 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.218 -0.217 19683
487 1 4 . 1 1 2 2 LEU CB C 2 43.955 43.955 41.440 2.515 19683
488 1 4 . 1 1 2 2 LEU H H 2 8.344 8.344 7.958 0.386 19683
489 1 4 . 1 1 3 3 GLY N N 3 108.320 108.320 110.853 -2.533 19683
490 1 4 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.463 0.034 19683
491 1 4 . 1 1 3 3 GLY H H 3 8.344 8.344 7.916 0.428 19683
492 1 4 . 1 1 4 4 LYS N N 4 119.456 119.456 118.731 0.725 19683
493 1 4 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.242 -0.254 19683
494 1 4 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.692 -2.911 19683
495 1 4 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.382 8.743 19683
496 1 4 . 1 1 4 4 LYS H H 4 8.494 8.494 8.494 0.000 19683
497 1 4 . 1 1 5 5 ALA N N 5 121.755 121.755 126.631 -4.876 19683
498 1 4 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.969 0.295 19683
499 1 4 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.077 1.283 19683
500 1 4 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.223 0.949 19683
501 1 4 . 1 1 5 5 ALA H H 5 8.748 8.748 8.923 -0.175 19683
502 1 4 . 1 1 6 6 GLN N N 6 119.671 119.671 118.360 1.311 19683
503 1 4 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.097 0.120 19683
504 1 4 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.662 0.647 19683
505 1 4 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.787 -0.268 19683
506 1 4 . 1 1 6 6 GLN H H 6 8.148 8.148 7.833 0.315 19683
507 1 4 . 1 1 7 7 CYS N N 7 119.391 119.391 118.648 0.743 19683
508 1 4 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.242 0.394 19683
509 1 4 . 1 1 7 7 CYS CA C 7 60.891 60.891 63.360 -2.469 19683
510 1 4 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.267 14.477 19683
511 1 4 . 1 1 7 7 CYS H H 7 8.623 8.623 8.247 0.376 19683
512 1 4 . 1 1 8 8 ALA N N 8 124.035 124.035 121.463 2.572 19683
513 1 4 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.215 0.189 19683
514 1 4 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.353 0.235 19683
515 1 4 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.222 -0.473 19683
516 1 4 . 1 1 8 8 ALA H H 8 8.498 8.498 8.473 0.025 19683
517 1 4 . 1 1 9 9 ALA N N 9 120.921 120.921 121.137 -0.216 19683
518 1 4 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.104 0.173 19683
519 1 4 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.775 0.577 19683
520 1 4 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.245 -0.226 19683
521 1 4 . 1 1 9 9 ALA H H 9 7.724 7.724 8.285 -0.561 19683
522 1 4 . 1 1 10 10 LEU N N 10 119.961 119.961 121.237 -1.276 19683
523 1 4 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.149 0.095 19683
524 1 4 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.233 -0.482 19683
525 1 4 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.786 1.833 19683
526 1 4 . 1 1 10 10 LEU H H 10 8.184 8.184 7.844 0.340 19683
527 1 4 . 1 1 11 11 TRP N N 11 120.212 120.212 119.089 1.123 19683
528 1 4 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.421 -0.720 19683
529 1 4 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.080 1.475 19683
530 1 4 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.553 -1.421 19683
531 1 4 . 1 1 11 11 TRP H H 11 8.788 8.788 7.839 0.949 19683
532 1 4 . 1 1 12 12 LEU N N 12 117.556 117.556 119.840 -2.284 19683
533 1 4 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.415 0.388 19683
534 1 4 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.029 1.012 19683
535 1 4 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.480 0.339 19683
536 1 4 . 1 1 12 12 LEU H H 12 7.733 7.733 8.106 -0.373 19683
537 1 4 . 1 1 13 13 GLN N N 13 118.567 118.567 118.616 -0.049 19683
538 1 4 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.976 -0.029 19683
539 1 4 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.761 -0.073 19683
540 1 4 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.199 0.817 19683
541 1 4 . 1 1 13 13 GLN H H 13 7.738 7.738 8.711 -0.973 19683
542 1 4 . 1 1 14 14 CYS N N 14 118.351 118.351 117.181 1.170 19683
543 1 4 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.373 -0.038 19683
544 1 4 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.114 -1.356 19683
545 1 4 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.277 13.437 19683
546 1 4 . 1 1 14 14 CYS H H 14 8.213 8.213 7.561 0.652 19683
547 1 4 . 1 1 15 15 ALA N N 15 121.693 121.693 123.336 -1.643 19683
548 1 4 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.836 -0.070 19683
549 1 4 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.287 -0.238 19683
550 1 4 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.526 -0.743 19683
551 1 4 . 1 1 15 15 ALA H H 15 8.173 8.173 7.622 0.551 19683
552 1 4 . 1 1 16 16 SER N N 16 111.866 111.866 112.758 -0.892 19683
553 1 4 . 1 1 16 16 SER HA H 16 4.337 4.337 4.492 -0.155 19683
554 1 4 . 1 1 16 16 SER CA C 16 59.453 59.453 58.679 0.774 19683
555 1 4 . 1 1 16 16 SER CB C 16 63.733 63.733 64.592 -0.859 19683
556 1 4 . 1 1 16 16 SER H H 16 7.607 7.607 7.763 -0.156 19683
557 1 4 . 1 1 17 17 GLY N N 17 109.738 109.738 109.915 -0.177 19683
558 1 4 . 1 1 17 17 GLY CA C 17 45.606 45.606 45.002 0.604 19683
559 1 4 . 1 1 17 17 GLY H H 17 7.841 7.841 7.646 0.195 19683
560 1 4 . 1 1 18 18 GLY N N 18 108.279 108.279 107.903 0.376 19683
561 1 4 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.338 1.462 19683
562 1 4 . 1 1 18 18 GLY H H 18 8.158 8.158 7.812 0.346 19683
563 1 4 . 1 1 19 19 THR N N 19 113.347 113.347 115.580 -2.233 19683
564 1 4 . 1 1 19 19 THR HA H 19 4.359 4.359 4.600 -0.241 19683
565 1 4 . 1 1 19 19 THR CA C 19 62.334 62.334 60.351 1.983 19683
566 1 4 . 1 1 19 19 THR CB C 19 69.872 69.872 71.310 -1.438 19683
567 1 4 . 1 1 19 19 THR H H 19 8.064 8.064 7.941 0.123 19683
568 1 4 . 1 1 20 20 ILE N N 20 122.333 122.333 123.550 -1.217 19683
569 1 4 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.026 0.119 19683
570 1 4 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.114 -1.205 19683
571 1 4 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.281 0.047 19683
572 1 4 . 1 1 20 20 ILE H H 20 8.061 8.061 8.642 -0.581 19683
573 1 4 . 1 1 21 21 GLY N N 21 112.495 112.495 107.080 5.415 19683
574 1 4 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.930 0.372 19683
575 1 4 . 1 1 21 21 GLY H H 21 8.423 8.423 8.033 0.390 19683
576 1 4 . 1 1 22 22 CYS N N 22 120.376 120.376 118.130 2.246 19683
577 1 4 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.196 0.477 19683
578 1 4 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.170 1.907 19683
579 1 4 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.755 8.078 19683
580 1 4 . 1 1 22 22 CYS H H 22 8.284 8.284 7.511 0.773 19683
581 1 4 . 1 1 23 23 GLY N N 23 112.782 112.782 116.532 -3.750 19683
582 1 4 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.863 1.122 19683
583 1 4 . 1 1 23 23 GLY H H 23 8.656 8.656 8.348 0.308 19683
584 1 4 . 1 1 24 24 GLY N N 24 108.819 108.819 111.824 -3.005 19683
585 1 4 . 1 1 24 24 GLY CA C 24 45.478 45.478 44.954 0.524 19683
586 1 4 . 1 1 24 24 GLY H H 24 8.371 8.371 8.389 -0.018 19683
587 1 4 . 1 1 25 25 GLY N N 25 109.405 109.405 108.485 0.920 19683
588 1 4 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.708 0.432 19683
589 1 4 . 1 1 25 25 GLY H H 25 8.397 8.397 8.870 -0.473 19683
590 1 4 . 1 1 26 26 ALA N N 26 123.138 123.138 124.106 -0.968 19683
591 1 4 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.164 -0.003 19683
592 1 4 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.575 0.240 19683
593 1 4 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.514 0.306 19683
594 1 4 . 1 1 26 26 ALA H H 26 8.064 8.064 7.952 0.112 19683
595 1 4 . 1 1 27 27 VAL N N 27 119.932 119.932 118.685 1.247 19683
596 1 4 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.836 -0.061 19683
597 1 4 . 1 1 27 27 VAL CA C 27 65.836 65.836 63.990 1.846 19683
598 1 4 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.680 0.228 19683
599 1 4 . 1 1 27 27 VAL H H 27 8.102 8.102 7.701 0.401 19683
600 1 4 . 1 1 28 28 ALA N N 28 122.939 122.939 121.963 0.976 19683
601 1 4 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.103 0.146 19683
602 1 4 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.056 0.695 19683
603 1 4 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.950 0.410 19683
604 1 4 . 1 1 28 28 ALA H H 28 8.032 8.032 8.028 0.004 19683
605 1 4 . 1 1 29 29 CYS N N 29 114.339 114.339 117.291 -2.952 19683
606 1 4 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.390 0.062 19683
607 1 4 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.359 -6.362 19683
608 1 4 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.573 12.307 19683
609 1 4 . 1 1 29 29 CYS H H 29 8.278 8.278 7.855 0.423 19683
610 1 4 . 1 1 30 30 GLN N N 30 121.500 121.500 119.066 2.434 19683
611 1 4 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.047 0.039 19683
612 1 4 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.432 0.770 19683
613 1 4 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.696 0.537 19683
614 1 4 . 1 1 30 30 GLN H H 30 8.118 8.118 8.078 0.040 19683
615 1 4 . 1 1 31 31 ASN N N 31 119.134 119.134 119.049 0.085 19683
616 1 4 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.347 0.185 19683
617 1 4 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.621 2.796 19683
618 1 4 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.616 -0.083 19683
619 1 4 . 1 1 31 31 ASN H H 31 8.724 8.724 8.083 0.641 19683
620 1 4 . 1 1 32 32 TYR N N 32 122.198 122.198 121.526 0.672 19683
621 1 4 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.291 -0.396 19683
622 1 4 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.112 0.872 19683
623 1 4 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.409 0.234 19683
624 1 4 . 1 1 32 32 TYR H H 32 8.869 8.869 7.800 1.069 19683
625 1 4 . 1 1 33 33 ARG N N 33 117.088 117.088 118.950 -1.862 19683
626 1 4 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.133 -0.229 19683
627 1 4 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.870 0.430 19683
628 1 4 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.816 0.319 19683
629 1 4 . 1 1 33 33 ARG H H 33 8.068 8.068 7.924 0.144 19683
630 1 4 . 1 1 34 34 GLN N N 34 115.563 115.563 118.129 -2.566 19683
631 1 4 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.896 0.051 19683
632 1 4 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.550 -0.308 19683
633 1 4 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.613 0.714 19683
634 1 4 . 1 1 34 34 GLN H H 34 7.705 7.705 7.534 0.171 19683
635 1 4 . 1 1 35 35 PHE N N 35 113.257 113.257 116.888 -3.631 19683
636 1 4 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.480 0.506 19683
637 1 4 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.745 -1.470 19683
638 1 4 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.224 1.200 19683
639 1 4 . 1 1 35 35 PHE H H 35 7.993 7.993 7.927 0.066 19683
640 1 4 . 1 1 36 36 CYS N N 36 117.360 117.360 119.461 -2.101 19683
641 1 4 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.504 0.353 19683
642 1 4 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.777 -1.951 19683
643 1 4 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.180 16.885 19683
644 1 4 . 1 1 36 36 CYS H H 36 8.095 8.095 8.293 -0.198 19683
645 1 5 . 1 1 2 2 LEU N N 2 121.139 121.139 117.859 3.280 19683
646 1 5 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.899 0.517 19683
647 1 5 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.292 -0.291 19683
648 1 5 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.523 3.432 19683
649 1 5 . 1 1 2 2 LEU H H 2 8.344 8.344 7.986 0.358 19683
650 1 5 . 1 1 3 3 GLY N N 3 108.320 108.320 105.395 2.925 19683
651 1 5 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.450 1.047 19683
652 1 5 . 1 1 3 3 GLY H H 3 8.344 8.344 7.686 0.658 19683
653 1 5 . 1 1 4 4 LYS N N 4 119.456 119.456 121.688 -2.232 19683
654 1 5 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.127 -0.139 19683
655 1 5 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.587 -2.806 19683
656 1 5 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.024 9.101 19683
657 1 5 . 1 1 4 4 LYS H H 4 8.494 8.494 8.310 0.184 19683
658 1 5 . 1 1 5 5 ALA N N 5 121.755 121.755 126.566 -4.811 19683
659 1 5 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.978 0.286 19683
660 1 5 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.096 1.264 19683
661 1 5 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.228 0.944 19683
662 1 5 . 1 1 5 5 ALA H H 5 8.748 8.748 8.930 -0.182 19683
663 1 5 . 1 1 6 6 GLN N N 6 119.671 119.671 118.411 1.260 19683
664 1 5 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.100 0.117 19683
665 1 5 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.634 0.675 19683
666 1 5 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.775 -0.256 19683
667 1 5 . 1 1 6 6 GLN H H 6 8.148 8.148 7.807 0.341 19683
668 1 5 . 1 1 7 7 CYS N N 7 119.391 119.391 118.731 0.660 19683
669 1 5 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.244 0.392 19683
670 1 5 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.771 -1.880 19683
671 1 5 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.234 14.510 19683
672 1 5 . 1 1 7 7 CYS H H 7 8.623 8.623 8.139 0.484 19683
673 1 5 . 1 1 8 8 ALA N N 8 124.035 124.035 121.591 2.444 19683
674 1 5 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.258 0.146 19683
675 1 5 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.325 0.263 19683
676 1 5 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.272 -0.523 19683
677 1 5 . 1 1 8 8 ALA H H 8 8.498 8.498 8.474 0.024 19683
678 1 5 . 1 1 9 9 ALA N N 9 120.921 120.921 121.143 -0.222 19683
679 1 5 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.110 0.167 19683
680 1 5 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.779 0.573 19683
681 1 5 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.231 -0.212 19683
682 1 5 . 1 1 9 9 ALA H H 9 7.724 7.724 8.298 -0.574 19683
683 1 5 . 1 1 10 10 LEU N N 10 119.961 119.961 120.555 -0.594 19683
684 1 5 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.146 0.098 19683
685 1 5 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.999 -0.247 19683
686 1 5 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.877 1.742 19683
687 1 5 . 1 1 10 10 LEU H H 10 8.184 8.184 7.740 0.444 19683
688 1 5 . 1 1 11 11 TRP N N 11 120.212 120.212 119.187 1.025 19683
689 1 5 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.417 -0.716 19683
690 1 5 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.604 0.951 19683
691 1 5 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.288 -1.156 19683
692 1 5 . 1 1 11 11 TRP H H 11 8.788 8.788 7.794 0.994 19683
693 1 5 . 1 1 12 12 LEU N N 12 117.556 117.556 119.975 -2.419 19683
694 1 5 . 1 1 12 12 LEU HA H 12 3.803 3.803 2.972 0.831 19683
695 1 5 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.261 0.780 19683
696 1 5 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.826 -0.007 19683
697 1 5 . 1 1 12 12 LEU H H 12 7.733 7.733 8.193 -0.460 19683
698 1 5 . 1 1 13 13 GLN N N 13 118.567 118.567 118.313 0.254 19683
699 1 5 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.936 0.011 19683
700 1 5 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.694 -0.006 19683
701 1 5 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.023 0.993 19683
702 1 5 . 1 1 13 13 GLN H H 13 7.738 7.738 8.657 -0.919 19683
703 1 5 . 1 1 14 14 CYS N N 14 118.351 118.351 117.413 0.938 19683
704 1 5 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.309 0.026 19683
705 1 5 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.117 -2.359 19683
706 1 5 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.187 13.527 19683
707 1 5 . 1 1 14 14 CYS H H 14 8.213 8.213 7.557 0.656 19683
708 1 5 . 1 1 15 15 ALA N N 15 121.693 121.693 122.642 -0.949 19683
709 1 5 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.871 -0.105 19683
710 1 5 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.382 -0.333 19683
711 1 5 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.264 -0.481 19683
712 1 5 . 1 1 15 15 ALA H H 15 8.173 8.173 7.656 0.517 19683
713 1 5 . 1 1 16 16 SER N N 16 111.866 111.866 113.269 -1.403 19683
714 1 5 . 1 1 16 16 SER HA H 16 4.337 4.337 4.418 -0.081 19683
715 1 5 . 1 1 16 16 SER CA C 16 59.453 59.453 58.963 0.490 19683
716 1 5 . 1 1 16 16 SER CB C 16 63.733 63.733 64.458 -0.725 19683
717 1 5 . 1 1 16 16 SER H H 16 7.607 7.607 7.847 -0.240 19683
718 1 5 . 1 1 17 17 GLY N N 17 109.738 109.738 109.832 -0.094 19683
719 1 5 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.891 0.715 19683
720 1 5 . 1 1 17 17 GLY H H 17 7.841 7.841 7.773 0.068 19683
721 1 5 . 1 1 18 18 GLY N N 18 108.279 108.279 106.607 1.672 19683
722 1 5 . 1 1 18 18 GLY CA C 18 45.800 45.800 45.159 0.641 19683
723 1 5 . 1 1 18 18 GLY H H 18 8.158 8.158 7.566 0.592 19683
724 1 5 . 1 1 19 19 THR N N 19 113.347 113.347 109.345 4.002 19683
725 1 5 . 1 1 19 19 THR HA H 19 4.359 4.359 4.642 -0.283 19683
726 1 5 . 1 1 19 19 THR CA C 19 62.334 62.334 60.622 1.712 19683
727 1 5 . 1 1 19 19 THR CB C 19 69.872 69.872 70.893 -1.021 19683
728 1 5 . 1 1 19 19 THR H H 19 8.064 8.064 8.059 0.005 19683
729 1 5 . 1 1 20 20 ILE N N 20 122.333 122.333 116.189 6.144 19683
730 1 5 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.578 -0.433 19683
731 1 5 . 1 1 20 20 ILE CA C 20 61.909 61.909 60.045 1.864 19683
732 1 5 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.112 0.216 19683
733 1 5 . 1 1 20 20 ILE H H 20 8.061 8.061 8.078 -0.017 19683
734 1 5 . 1 1 21 21 GLY N N 21 112.495 112.495 109.105 3.390 19683
735 1 5 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.508 0.794 19683
736 1 5 . 1 1 21 21 GLY H H 21 8.423 8.423 7.703 0.720 19683
737 1 5 . 1 1 22 22 CYS N N 22 120.376 120.376 120.677 -0.301 19683
738 1 5 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.089 0.584 19683
739 1 5 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.552 1.525 19683
740 1 5 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.099 8.733 19683
741 1 5 . 1 1 22 22 CYS H H 22 8.284 8.284 7.949 0.335 19683
742 1 5 . 1 1 23 23 GLY N N 23 112.782 112.782 114.283 -1.501 19683
743 1 5 . 1 1 23 23 GLY CA C 23 45.985 45.985 45.355 0.630 19683
744 1 5 . 1 1 23 23 GLY H H 23 8.656 8.656 8.679 -0.023 19683
745 1 5 . 1 1 24 24 GLY N N 24 108.819 108.819 111.507 -2.688 19683
746 1 5 . 1 1 24 24 GLY CA C 24 45.478 45.478 44.909 0.569 19683
747 1 5 . 1 1 24 24 GLY H H 24 8.371 8.371 8.081 0.290 19683
748 1 5 . 1 1 25 25 GLY N N 25 109.405 109.405 112.769 -3.364 19683
749 1 5 . 1 1 25 25 GLY CA C 25 46.140 46.140 46.671 -0.531 19683
750 1 5 . 1 1 25 25 GLY H H 25 8.397 8.397 8.350 0.047 19683
751 1 5 . 1 1 26 26 ALA N N 26 123.138 123.138 125.865 -2.727 19683
752 1 5 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.176 -0.015 19683
753 1 5 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.560 0.255 19683
754 1 5 . 1 1 26 26 ALA CB C 26 18.820 18.820 19.073 -0.253 19683
755 1 5 . 1 1 26 26 ALA H H 26 8.064 8.064 8.467 -0.403 19683
756 1 5 . 1 1 27 27 VAL N N 27 119.932 119.932 116.823 3.109 19683
757 1 5 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.940 -0.165 19683
758 1 5 . 1 1 27 27 VAL CA C 27 65.836 65.836 63.995 1.841 19683
759 1 5 . 1 1 27 27 VAL CB C 27 31.908 31.908 30.815 1.093 19683
760 1 5 . 1 1 27 27 VAL H H 27 8.102 8.102 7.540 0.562 19683
761 1 5 . 1 1 28 28 ALA N N 28 122.939 122.939 122.863 0.076 19683
762 1 5 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.113 0.136 19683
763 1 5 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.322 0.429 19683
764 1 5 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.867 0.492 19683
765 1 5 . 1 1 28 28 ALA H H 28 8.032 8.032 8.394 -0.362 19683
766 1 5 . 1 1 29 29 CYS N N 29 114.339 114.339 117.214 -2.875 19683
767 1 5 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.240 0.212 19683
768 1 5 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.370 -6.373 19683
769 1 5 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.554 12.326 19683
770 1 5 . 1 1 29 29 CYS H H 29 8.278 8.278 7.843 0.435 19683
771 1 5 . 1 1 30 30 GLN N N 30 121.500 121.500 118.842 2.658 19683
772 1 5 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.069 0.017 19683
773 1 5 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.455 0.748 19683
774 1 5 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.852 0.381 19683
775 1 5 . 1 1 30 30 GLN H H 30 8.118 8.118 8.259 -0.141 19683
776 1 5 . 1 1 31 31 ASN N N 31 119.134 119.134 119.186 -0.052 19683
777 1 5 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.330 0.202 19683
778 1 5 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.607 2.810 19683
779 1 5 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.571 -0.037 19683
780 1 5 . 1 1 31 31 ASN H H 31 8.724 8.724 8.861 -0.137 19683
781 1 5 . 1 1 32 32 TYR N N 32 122.198 122.198 121.790 0.408 19683
782 1 5 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.282 -0.387 19683
783 1 5 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.153 0.831 19683
784 1 5 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.512 0.131 19683
785 1 5 . 1 1 32 32 TYR H H 32 8.869 8.869 7.711 1.158 19683
786 1 5 . 1 1 33 33 ARG N N 33 117.088 117.088 119.063 -1.975 19683
787 1 5 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.169 -0.265 19683
788 1 5 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.791 0.508 19683
789 1 5 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.838 0.297 19683
790 1 5 . 1 1 33 33 ARG H H 33 8.068 8.068 8.059 0.009 19683
791 1 5 . 1 1 34 34 GLN N N 34 115.563 115.563 118.141 -2.578 19683
792 1 5 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.919 0.028 19683
793 1 5 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.347 -0.105 19683
794 1 5 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.650 0.677 19683
795 1 5 . 1 1 34 34 GLN H H 34 7.705 7.705 7.498 0.207 19683
796 1 5 . 1 1 35 35 PHE N N 35 113.257 113.257 117.125 -3.868 19683
797 1 5 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.445 0.541 19683
798 1 5 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.820 -1.545 19683
799 1 5 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.342 1.082 19683
800 1 5 . 1 1 35 35 PHE H H 35 7.993 7.993 7.853 0.140 19683
801 1 5 . 1 1 36 36 CYS N N 36 117.360 117.360 119.421 -2.061 19683
802 1 5 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.542 0.315 19683
803 1 5 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.752 -1.926 19683
804 1 5 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.164 16.901 19683
805 1 5 . 1 1 36 36 CYS H H 36 8.095 8.095 8.284 -0.189 19683
806 1 6 . 1 1 2 2 LEU N N 2 121.139 121.139 119.787 1.352 19683
807 1 6 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.883 0.533 19683
808 1 6 . 1 1 2 2 LEU CA C 2 55.001 55.001 54.897 0.104 19683
809 1 6 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.477 3.478 19683
810 1 6 . 1 1 2 2 LEU H H 2 8.344 8.344 8.130 0.214 19683
811 1 6 . 1 1 3 3 GLY N N 3 108.320 108.320 105.257 3.063 19683
812 1 6 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.900 0.597 19683
813 1 6 . 1 1 3 3 GLY H H 3 8.344 8.344 7.794 0.550 19683
814 1 6 . 1 1 4 4 LYS N N 4 119.456 119.456 120.529 -1.073 19683
815 1 6 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.149 -0.161 19683
816 1 6 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.471 -2.690 19683
817 1 6 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.128 8.997 19683
818 1 6 . 1 1 4 4 LYS H H 4 8.494 8.494 8.281 0.213 19683
819 1 6 . 1 1 5 5 ALA N N 5 121.755 121.755 126.613 -4.858 19683
820 1 6 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.977 0.287 19683
821 1 6 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.119 1.241 19683
822 1 6 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.215 0.957 19683
823 1 6 . 1 1 5 5 ALA H H 5 8.748 8.748 8.939 -0.191 19683
824 1 6 . 1 1 6 6 GLN N N 6 119.671 119.671 118.320 1.351 19683
825 1 6 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.107 0.110 19683
826 1 6 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.627 0.682 19683
827 1 6 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.767 -0.248 19683
828 1 6 . 1 1 6 6 GLN H H 6 8.148 8.148 7.808 0.340 19683
829 1 6 . 1 1 7 7 CYS N N 7 119.391 119.391 118.842 0.549 19683
830 1 6 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.246 0.390 19683
831 1 6 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.868 -1.977 19683
832 1 6 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.235 14.509 19683
833 1 6 . 1 1 7 7 CYS H H 7 8.623 8.623 8.225 0.398 19683
834 1 6 . 1 1 8 8 ALA N N 8 124.035 124.035 121.598 2.437 19683
835 1 6 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.258 0.146 19683
836 1 6 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.332 0.256 19683
837 1 6 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.267 -0.518 19683
838 1 6 . 1 1 8 8 ALA H H 8 8.498 8.498 8.478 0.020 19683
839 1 6 . 1 1 9 9 ALA N N 9 120.921 120.921 121.328 -0.407 19683
840 1 6 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.111 0.166 19683
841 1 6 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.824 0.528 19683
842 1 6 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.244 -0.225 19683
843 1 6 . 1 1 9 9 ALA H H 9 7.724 7.724 8.225 -0.501 19683
844 1 6 . 1 1 10 10 LEU N N 10 119.961 119.961 120.478 -0.517 19683
845 1 6 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.151 0.093 19683
846 1 6 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.002 -0.250 19683
847 1 6 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.886 1.733 19683
848 1 6 . 1 1 10 10 LEU H H 10 8.184 8.184 7.807 0.377 19683
849 1 6 . 1 1 11 11 TRP N N 11 120.212 120.212 119.625 0.587 19683
850 1 6 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.382 -0.681 19683
851 1 6 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.581 0.974 19683
852 1 6 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.298 -1.166 19683
853 1 6 . 1 1 11 11 TRP H H 11 8.788 8.788 7.749 1.039 19683
854 1 6 . 1 1 12 12 LEU N N 12 117.556 117.556 120.828 -3.272 19683
855 1 6 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.028 0.775 19683
856 1 6 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.850 0.191 19683
857 1 6 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.877 -0.058 19683
858 1 6 . 1 1 12 12 LEU H H 12 7.733 7.733 8.325 -0.592 19683
859 1 6 . 1 1 13 13 GLN N N 13 118.567 118.567 117.982 0.585 19683
860 1 6 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.963 -0.016 19683
861 1 6 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.557 0.131 19683
862 1 6 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.912 1.104 19683
863 1 6 . 1 1 13 13 GLN H H 13 7.738 7.738 8.672 -0.934 19683
864 1 6 . 1 1 14 14 CYS N N 14 118.351 118.351 117.557 0.794 19683
865 1 6 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.101 0.234 19683
866 1 6 . 1 1 14 14 CYS CA C 14 57.758 57.758 61.348 -3.590 19683
867 1 6 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.820 12.893 19683
868 1 6 . 1 1 14 14 CYS H H 14 8.213 8.213 7.641 0.572 19683
869 1 6 . 1 1 15 15 ALA N N 15 121.693 121.693 121.157 0.536 19683
870 1 6 . 1 1 15 15 ALA HA H 15 3.766 3.766 4.000 -0.234 19683
871 1 6 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.213 -0.164 19683
872 1 6 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.452 -0.669 19683
873 1 6 . 1 1 15 15 ALA H H 15 8.173 8.173 7.445 0.728 19683
874 1 6 . 1 1 16 16 SER N N 16 111.866 111.866 113.577 -1.711 19683
875 1 6 . 1 1 16 16 SER HA H 16 4.337 4.337 4.245 0.092 19683
876 1 6 . 1 1 16 16 SER CA C 16 59.453 59.453 59.489 -0.036 19683
877 1 6 . 1 1 16 16 SER CB C 16 63.733 63.733 64.002 -0.269 19683
878 1 6 . 1 1 16 16 SER H H 16 7.607 7.607 7.540 0.067 19683
879 1 6 . 1 1 17 17 GLY N N 17 109.738 109.738 107.811 1.927 19683
880 1 6 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.642 0.964 19683
881 1 6 . 1 1 17 17 GLY H H 17 7.841 7.841 7.641 0.200 19683
882 1 6 . 1 1 18 18 GLY N N 18 108.279 108.279 106.786 1.493 19683
883 1 6 . 1 1 18 18 GLY CA C 18 45.800 45.800 45.935 -0.135 19683
884 1 6 . 1 1 18 18 GLY H H 18 8.158 8.158 7.550 0.608 19683
885 1 6 . 1 1 19 19 THR N N 19 113.347 113.347 110.178 3.169 19683
886 1 6 . 1 1 19 19 THR HA H 19 4.359 4.359 4.626 -0.267 19683
887 1 6 . 1 1 19 19 THR CA C 19 62.334 62.334 60.182 2.152 19683
888 1 6 . 1 1 19 19 THR CB C 19 69.872 69.872 71.990 -2.118 19683
889 1 6 . 1 1 19 19 THR H H 19 8.064 8.064 7.887 0.177 19683
890 1 6 . 1 1 20 20 ILE N N 20 122.333 122.333 120.533 1.800 19683
891 1 6 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.060 0.085 19683
892 1 6 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.158 -1.249 19683
893 1 6 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.657 0.671 19683
894 1 6 . 1 1 20 20 ILE H H 20 8.061 8.061 8.600 -0.539 19683
895 1 6 . 1 1 21 21 GLY N N 21 112.495 112.495 108.036 4.459 19683
896 1 6 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.971 0.331 19683
897 1 6 . 1 1 21 21 GLY H H 21 8.423 8.423 7.970 0.453 19683
898 1 6 . 1 1 22 22 CYS N N 22 120.376 120.376 118.013 2.363 19683
899 1 6 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.124 0.549 19683
900 1 6 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.184 1.893 19683
901 1 6 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.173 8.659 19683
902 1 6 . 1 1 22 22 CYS H H 22 8.284 8.284 7.587 0.697 19683
903 1 6 . 1 1 23 23 GLY N N 23 112.782 112.782 112.082 0.700 19683
904 1 6 . 1 1 23 23 GLY CA C 23 45.985 45.985 45.892 0.093 19683
905 1 6 . 1 1 23 23 GLY H H 23 8.656 8.656 8.298 0.358 19683
906 1 6 . 1 1 24 24 GLY N N 24 108.819 108.819 109.772 -0.953 19683
907 1 6 . 1 1 24 24 GLY CA C 24 45.478 45.478 43.880 1.599 19683
908 1 6 . 1 1 24 24 GLY H H 24 8.371 8.371 8.339 0.032 19683
909 1 6 . 1 1 25 25 GLY N N 25 109.405 109.405 110.975 -1.570 19683
910 1 6 . 1 1 25 25 GLY CA C 25 46.140 46.140 46.796 -0.656 19683
911 1 6 . 1 1 25 25 GLY H H 25 8.397 8.397 8.164 0.233 19683
912 1 6 . 1 1 26 26 ALA N N 26 123.138 123.138 124.620 -1.482 19683
913 1 6 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.116 0.045 19683
914 1 6 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.489 0.327 19683
915 1 6 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.896 -0.076 19683
916 1 6 . 1 1 26 26 ALA H H 26 8.064 8.064 8.510 -0.446 19683
917 1 6 . 1 1 27 27 VAL N N 27 119.932 119.932 120.022 -0.090 19683
918 1 6 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.816 -0.041 19683
919 1 6 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.623 1.213 19683
920 1 6 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.508 0.400 19683
921 1 6 . 1 1 27 27 VAL H H 27 8.102 8.102 7.386 0.716 19683
922 1 6 . 1 1 28 28 ALA N N 28 122.939 122.939 121.660 1.279 19683
923 1 6 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.104 0.145 19683
924 1 6 . 1 1 28 28 ALA CA C 28 55.751 55.751 54.949 0.802 19683
925 1 6 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.678 0.682 19683
926 1 6 . 1 1 28 28 ALA H H 28 8.032 8.032 8.283 -0.251 19683
927 1 6 . 1 1 29 29 CYS N N 29 114.339 114.339 117.188 -2.849 19683
928 1 6 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.254 0.198 19683
929 1 6 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.210 -6.213 19683
930 1 6 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.488 12.392 19683
931 1 6 . 1 1 29 29 CYS H H 29 8.278 8.278 7.780 0.498 19683
932 1 6 . 1 1 30 30 GLN N N 30 121.500 121.500 119.401 2.099 19683
933 1 6 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.103 -0.017 19683
934 1 6 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.467 0.737 19683
935 1 6 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.717 0.516 19683
936 1 6 . 1 1 30 30 GLN H H 30 8.118 8.118 8.058 0.060 19683
937 1 6 . 1 1 31 31 ASN N N 31 119.134 119.134 119.185 -0.051 19683
938 1 6 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.319 0.213 19683
939 1 6 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.700 2.717 19683
940 1 6 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.548 -0.015 19683
941 1 6 . 1 1 31 31 ASN H H 31 8.724 8.724 8.144 0.580 19683
942 1 6 . 1 1 32 32 TYR N N 32 122.198 122.198 121.492 0.706 19683
943 1 6 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.306 -0.411 19683
944 1 6 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.218 0.766 19683
945 1 6 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.496 0.147 19683
946 1 6 . 1 1 32 32 TYR H H 32 8.869 8.869 7.827 1.042 19683
947 1 6 . 1 1 33 33 ARG N N 33 117.088 117.088 118.932 -1.844 19683
948 1 6 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.139 -0.235 19683
949 1 6 . 1 1 33 33 ARG CA C 33 59.299 59.299 59.575 -0.276 19683
950 1 6 . 1 1 33 33 ARG CB C 33 30.135 30.135 30.096 0.039 19683
951 1 6 . 1 1 33 33 ARG H H 33 8.068 8.068 8.082 -0.014 19683
952 1 6 . 1 1 34 34 GLN N N 34 115.563 115.563 118.312 -2.749 19683
953 1 6 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.964 -0.017 19683
954 1 6 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.514 -0.272 19683
955 1 6 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.730 0.597 19683
956 1 6 . 1 1 34 34 GLN H H 34 7.705 7.705 7.614 0.091 19683
957 1 6 . 1 1 35 35 PHE N N 35 113.257 113.257 117.995 -4.738 19683
958 1 6 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.432 0.554 19683
959 1 6 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.895 -1.620 19683
960 1 6 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.018 1.406 19683
961 1 6 . 1 1 35 35 PHE H H 35 7.993 7.993 8.082 -0.089 19683
962 1 6 . 1 1 36 36 CYS N N 36 117.360 117.360 119.506 -2.146 19683
963 1 6 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.477 0.380 19683
964 1 6 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.675 -1.849 19683
965 1 6 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.977 17.088 19683
966 1 6 . 1 1 36 36 CYS H H 36 8.095 8.095 8.223 -0.128 19683
967 1 7 . 1 1 2 2 LEU N N 2 121.139 121.139 118.847 2.292 19683
968 1 7 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.949 0.467 19683
969 1 7 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.195 -0.194 19683
970 1 7 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.712 3.244 19683
971 1 7 . 1 1 2 2 LEU H H 2 8.344 8.344 8.032 0.312 19683
972 1 7 . 1 1 3 3 GLY N N 3 108.320 108.320 105.475 2.845 19683
973 1 7 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.539 0.958 19683
974 1 7 . 1 1 3 3 GLY H H 3 8.344 8.344 7.711 0.633 19683
975 1 7 . 1 1 4 4 LYS N N 4 119.456 119.456 121.711 -2.255 19683
976 1 7 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.124 -0.136 19683
977 1 7 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.569 -2.788 19683
978 1 7 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.040 9.085 19683
979 1 7 . 1 1 4 4 LYS H H 4 8.494 8.494 8.305 0.189 19683
980 1 7 . 1 1 5 5 ALA N N 5 121.755 121.755 126.559 -4.804 19683
981 1 7 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.987 0.277 19683
982 1 7 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.063 1.297 19683
983 1 7 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.236 0.936 19683
984 1 7 . 1 1 5 5 ALA H H 5 8.748 8.748 8.936 -0.188 19683
985 1 7 . 1 1 6 6 GLN N N 6 119.671 119.671 118.502 1.169 19683
986 1 7 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.102 0.115 19683
987 1 7 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.647 0.662 19683
988 1 7 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.793 -0.274 19683
989 1 7 . 1 1 6 6 GLN H H 6 8.148 8.148 7.809 0.339 19683
990 1 7 . 1 1 7 7 CYS N N 7 119.391 119.391 119.006 0.385 19683
991 1 7 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.190 0.446 19683
992 1 7 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.822 -1.931 19683
993 1 7 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.119 14.626 19683
994 1 7 . 1 1 7 7 CYS H H 7 8.623 8.623 8.058 0.565 19683
995 1 7 . 1 1 8 8 ALA N N 8 124.035 124.035 121.586 2.449 19683
996 1 7 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.255 0.149 19683
997 1 7 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.304 0.284 19683
998 1 7 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.282 -0.532 19683
999 1 7 . 1 1 8 8 ALA H H 8 8.498 8.498 8.476 0.022 19683
1000 1 7 . 1 1 9 9 ALA N N 9 120.921 120.921 121.263 -0.342 19683
1001 1 7 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.111 0.166 19683
1002 1 7 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.791 0.561 19683
1003 1 7 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.253 -0.235 19683
1004 1 7 . 1 1 9 9 ALA H H 9 7.724 7.724 8.323 -0.599 19683
1005 1 7 . 1 1 10 10 LEU N N 10 119.961 119.961 120.527 -0.566 19683
1006 1 7 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.149 0.095 19683
1007 1 7 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.959 -0.207 19683
1008 1 7 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.858 1.761 19683
1009 1 7 . 1 1 10 10 LEU H H 10 8.184 8.184 7.804 0.380 19683
1010 1 7 . 1 1 11 11 TRP N N 11 120.212 120.212 119.031 1.181 19683
1011 1 7 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.414 -0.713 19683
1012 1 7 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.279 1.276 19683
1013 1 7 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.314 -1.183 19683
1014 1 7 . 1 1 11 11 TRP H H 11 8.788 8.788 7.724 1.064 19683
1015 1 7 . 1 1 12 12 LEU N N 12 117.556 117.556 119.942 -2.386 19683
1016 1 7 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.118 0.685 19683
1017 1 7 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.037 1.004 19683
1018 1 7 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.202 0.617 19683
1019 1 7 . 1 1 12 12 LEU H H 12 7.733 7.733 8.098 -0.365 19683
1020 1 7 . 1 1 13 13 GLN N N 13 118.567 118.567 118.784 -0.217 19683
1021 1 7 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.902 0.045 19683
1022 1 7 . 1 1 13 13 GLN CA C 13 58.688 58.688 59.032 -0.344 19683
1023 1 7 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.890 1.125 19683
1024 1 7 . 1 1 13 13 GLN H H 13 7.738 7.738 8.764 -1.026 19683
1025 1 7 . 1 1 14 14 CYS N N 14 118.351 118.351 115.940 2.411 19683
1026 1 7 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.178 0.157 19683
1027 1 7 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.977 -2.220 19683
1028 1 7 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.624 13.090 19683
1029 1 7 . 1 1 14 14 CYS H H 14 8.213 8.213 7.553 0.660 19683
1030 1 7 . 1 1 15 15 ALA N N 15 121.693 121.693 121.861 -0.168 19683
1031 1 7 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.950 -0.184 19683
1032 1 7 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.259 -0.210 19683
1033 1 7 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.763 -0.980 19683
1034 1 7 . 1 1 15 15 ALA H H 15 8.173 8.173 7.629 0.544 19683
1035 1 7 . 1 1 16 16 SER N N 16 111.866 111.866 112.687 -0.821 19683
1036 1 7 . 1 1 16 16 SER HA H 16 4.337 4.337 4.494 -0.157 19683
1037 1 7 . 1 1 16 16 SER CA C 16 59.453 59.453 58.317 1.136 19683
1038 1 7 . 1 1 16 16 SER CB C 16 63.733 63.733 64.619 -0.886 19683
1039 1 7 . 1 1 16 16 SER H H 16 7.607 7.607 7.901 -0.294 19683
1040 1 7 . 1 1 17 17 GLY N N 17 109.738 109.738 109.347 0.391 19683
1041 1 7 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.906 0.700 19683
1042 1 7 . 1 1 17 17 GLY H H 17 7.841 7.841 8.201 -0.360 19683
1043 1 7 . 1 1 18 18 GLY N N 18 108.279 108.279 107.697 0.582 19683
1044 1 7 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.249 1.551 19683
1045 1 7 . 1 1 18 18 GLY H H 18 8.158 8.158 7.661 0.497 19683
1046 1 7 . 1 1 19 19 THR N N 19 113.347 113.347 112.115 1.232 19683
1047 1 7 . 1 1 19 19 THR HA H 19 4.359 4.359 4.340 0.019 19683
1048 1 7 . 1 1 19 19 THR CA C 19 62.334 62.334 60.207 2.127 19683
1049 1 7 . 1 1 19 19 THR CB C 19 69.872 69.872 70.446 -0.574 19683
1050 1 7 . 1 1 19 19 THR H H 19 8.064 8.064 7.277 0.787 19683
1051 1 7 . 1 1 20 20 ILE N N 20 122.333 122.333 120.696 1.637 19683
1052 1 7 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.031 0.114 19683
1053 1 7 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.826 -0.917 19683
1054 1 7 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.550 0.778 19683
1055 1 7 . 1 1 20 20 ILE H H 20 8.061 8.061 8.624 -0.563 19683
1056 1 7 . 1 1 21 21 GLY N N 21 112.495 112.495 108.555 3.940 19683
1057 1 7 . 1 1 21 21 GLY CA C 21 45.302 45.302 45.050 0.252 19683
1058 1 7 . 1 1 21 21 GLY H H 21 8.423 8.423 7.853 0.570 19683
1059 1 7 . 1 1 22 22 CYS N N 22 120.376 120.376 119.077 1.299 19683
1060 1 7 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.156 0.517 19683
1061 1 7 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.424 1.653 19683
1062 1 7 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.179 8.653 19683
1063 1 7 . 1 1 22 22 CYS H H 22 8.284 8.284 7.658 0.626 19683
1064 1 7 . 1 1 23 23 GLY N N 23 112.782 112.782 114.383 -1.601 19683
1065 1 7 . 1 1 23 23 GLY CA C 23 45.985 45.985 45.095 0.890 19683
1066 1 7 . 1 1 23 23 GLY H H 23 8.656 8.656 8.390 0.266 19683
1067 1 7 . 1 1 24 24 GLY N N 24 108.819 108.819 111.216 -2.397 19683
1068 1 7 . 1 1 24 24 GLY CA C 24 45.478 45.478 44.952 0.526 19683
1069 1 7 . 1 1 24 24 GLY H H 24 8.371 8.371 8.275 0.096 19683
1070 1 7 . 1 1 25 25 GLY N N 25 109.405 109.405 108.233 1.172 19683
1071 1 7 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.674 0.466 19683
1072 1 7 . 1 1 25 25 GLY H H 25 8.397 8.397 8.556 -0.159 19683
1073 1 7 . 1 1 26 26 ALA N N 26 123.138 123.138 124.492 -1.354 19683
1074 1 7 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.169 -0.008 19683
1075 1 7 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.544 0.271 19683
1076 1 7 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.792 0.028 19683
1077 1 7 . 1 1 26 26 ALA H H 26 8.064 8.064 7.980 0.084 19683
1078 1 7 . 1 1 27 27 VAL N N 27 119.932 119.932 115.141 4.791 19683
1079 1 7 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.812 -0.037 19683
1080 1 7 . 1 1 27 27 VAL CA C 27 65.836 65.836 65.058 0.778 19683
1081 1 7 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.206 0.702 19683
1082 1 7 . 1 1 27 27 VAL H H 27 8.102 8.102 7.730 0.372 19683
1083 1 7 . 1 1 28 28 ALA N N 28 122.939 122.939 122.953 -0.014 19683
1084 1 7 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.070 0.179 19683
1085 1 7 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.236 0.515 19683
1086 1 7 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.726 0.634 19683
1087 1 7 . 1 1 28 28 ALA H H 28 8.032 8.032 7.783 0.249 19683
1088 1 7 . 1 1 29 29 CYS N N 29 114.339 114.339 117.675 -3.336 19683
1089 1 7 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.276 0.176 19683
1090 1 7 . 1 1 29 29 CYS CA C 29 56.997 56.997 62.587 -5.590 19683
1091 1 7 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.330 12.550 19683
1092 1 7 . 1 1 29 29 CYS H H 29 8.278 8.278 8.269 0.009 19683
1093 1 7 . 1 1 30 30 GLN N N 30 121.500 121.500 120.471 1.029 19683
1094 1 7 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.134 -0.048 19683
1095 1 7 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.457 0.746 19683
1096 1 7 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.581 0.652 19683
1097 1 7 . 1 1 30 30 GLN H H 30 8.118 8.118 8.146 -0.028 19683
1098 1 7 . 1 1 31 31 ASN N N 31 119.134 119.134 119.180 -0.046 19683
1099 1 7 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.347 0.185 19683
1100 1 7 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.625 2.792 19683
1101 1 7 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.555 -0.022 19683
1102 1 7 . 1 1 31 31 ASN H H 31 8.724 8.724 8.744 -0.020 19683
1103 1 7 . 1 1 32 32 TYR N N 32 122.198 122.198 121.838 0.360 19683
1104 1 7 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.358 -0.463 19683
1105 1 7 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.038 0.945 19683
1106 1 7 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.518 0.125 19683
1107 1 7 . 1 1 32 32 TYR H H 32 8.869 8.869 7.760 1.109 19683
1108 1 7 . 1 1 33 33 ARG N N 33 117.088 117.088 120.193 -3.105 19683
1109 1 7 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.122 -0.218 19683
1110 1 7 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.531 0.768 19683
1111 1 7 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.822 0.313 19683
1112 1 7 . 1 1 33 33 ARG H H 33 8.068 8.068 8.008 0.060 19683
1113 1 7 . 1 1 34 34 GLN N N 34 115.563 115.563 116.575 -1.012 19683
1114 1 7 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.958 -0.011 19683
1115 1 7 . 1 1 34 34 GLN CA C 34 58.242 58.242 57.854 0.388 19683
1116 1 7 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.484 0.843 19683
1117 1 7 . 1 1 34 34 GLN H H 34 7.705 7.705 7.693 0.012 19683
1118 1 7 . 1 1 35 35 PHE N N 35 113.257 113.257 117.916 -4.659 19683
1119 1 7 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.357 0.629 19683
1120 1 7 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.891 -1.616 19683
1121 1 7 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.026 1.399 19683
1122 1 7 . 1 1 35 35 PHE H H 35 7.993 7.993 7.889 0.104 19683
1123 1 7 . 1 1 36 36 CYS N N 36 117.360 117.360 119.464 -2.104 19683
1124 1 7 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.384 0.473 19683
1125 1 7 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.988 -2.162 19683
1126 1 7 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.045 18.020 19683
1127 1 7 . 1 1 36 36 CYS H H 36 8.095 8.095 8.348 -0.253 19683
1128 1 8 . 1 1 2 2 LEU N N 2 121.139 121.139 118.567 2.572 19683
1129 1 8 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.899 0.517 19683
1130 1 8 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.751 -0.750 19683
1131 1 8 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.528 3.427 19683
1132 1 8 . 1 1 2 2 LEU H H 2 8.344 8.344 8.183 0.161 19683
1133 1 8 . 1 1 3 3 GLY N N 3 108.320 108.320 104.219 4.101 19683
1134 1 8 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.280 0.217 19683
1135 1 8 . 1 1 3 3 GLY H H 3 8.344 8.344 7.514 0.830 19683
1136 1 8 . 1 1 4 4 LYS N N 4 119.456 119.456 121.012 -1.556 19683
1137 1 8 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.187 -0.199 19683
1138 1 8 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.682 -2.901 19683
1139 1 8 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.500 8.625 19683
1140 1 8 . 1 1 4 4 LYS H H 4 8.494 8.494 8.492 0.002 19683
1141 1 8 . 1 1 5 5 ALA N N 5 121.755 121.755 125.828 -4.073 19683
1142 1 8 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.981 0.283 19683
1143 1 8 . 1 1 5 5 ALA CA C 5 55.360 55.360 53.824 1.536 19683
1144 1 8 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.151 1.021 19683
1145 1 8 . 1 1 5 5 ALA H H 5 8.748 8.748 8.896 -0.148 19683
1146 1 8 . 1 1 6 6 GLN N N 6 119.671 119.671 119.571 0.100 19683
1147 1 8 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.172 0.045 19683
1148 1 8 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.486 0.823 19683
1149 1 8 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.750 -0.231 19683
1150 1 8 . 1 1 6 6 GLN H H 6 8.148 8.148 7.819 0.329 19683
1151 1 8 . 1 1 7 7 CYS N N 7 119.391 119.391 118.748 0.643 19683
1152 1 8 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.284 0.352 19683
1153 1 8 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.690 -1.799 19683
1154 1 8 . 1 1 7 7 CYS CB C 7 40.744 40.744 25.905 14.839 19683
1155 1 8 . 1 1 7 7 CYS H H 7 8.623 8.623 7.803 0.820 19683
1156 1 8 . 1 1 8 8 ALA N N 8 124.035 124.035 121.491 2.544 19683
1157 1 8 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.254 0.150 19683
1158 1 8 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.366 0.222 19683
1159 1 8 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.303 -0.554 19683
1160 1 8 . 1 1 8 8 ALA H H 8 8.498 8.498 8.501 -0.003 19683
1161 1 8 . 1 1 9 9 ALA N N 9 120.921 120.921 121.016 -0.095 19683
1162 1 8 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.137 0.140 19683
1163 1 8 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.786 0.566 19683
1164 1 8 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.269 -0.250 19683
1165 1 8 . 1 1 9 9 ALA H H 9 7.724 7.724 8.057 -0.333 19683
1166 1 8 . 1 1 10 10 LEU N N 10 119.961 119.961 121.135 -1.174 19683
1167 1 8 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.196 0.048 19683
1168 1 8 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.770 -0.018 19683
1169 1 8 . 1 1 10 10 LEU CB C 10 43.619 43.619 42.087 1.532 19683
1170 1 8 . 1 1 10 10 LEU H H 10 8.184 8.184 7.718 0.466 19683
1171 1 8 . 1 1 11 11 TRP N N 11 120.212 120.212 119.942 0.270 19683
1172 1 8 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.401 -0.700 19683
1173 1 8 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.655 0.900 19683
1174 1 8 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.512 -1.380 19683
1175 1 8 . 1 1 11 11 TRP H H 11 8.788 8.788 7.850 0.938 19683
1176 1 8 . 1 1 12 12 LEU N N 12 117.556 117.556 120.162 -2.606 19683
1177 1 8 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.114 0.689 19683
1178 1 8 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.715 0.326 19683
1179 1 8 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.828 -0.009 19683
1180 1 8 . 1 1 12 12 LEU H H 12 7.733 7.733 8.107 -0.374 19683
1181 1 8 . 1 1 13 13 GLN N N 13 118.567 118.567 119.158 -0.591 19683
1182 1 8 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.970 -0.023 19683
1183 1 8 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.390 0.298 19683
1184 1 8 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.290 1.726 19683
1185 1 8 . 1 1 13 13 GLN H H 13 7.738 7.738 8.707 -0.969 19683
1186 1 8 . 1 1 14 14 CYS N N 14 118.351 118.351 117.653 0.698 19683
1187 1 8 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.273 0.062 19683
1188 1 8 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.082 -2.324 19683
1189 1 8 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.560 13.154 19683
1190 1 8 . 1 1 14 14 CYS H H 14 8.213 8.213 7.722 0.491 19683
1191 1 8 . 1 1 15 15 ALA N N 15 121.693 121.693 121.560 0.133 19683
1192 1 8 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.908 -0.142 19683
1193 1 8 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.209 -0.160 19683
1194 1 8 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.478 -0.695 19683
1195 1 8 . 1 1 15 15 ALA H H 15 8.173 8.173 7.410 0.763 19683
1196 1 8 . 1 1 16 16 SER N N 16 111.866 111.866 113.010 -1.144 19683
1197 1 8 . 1 1 16 16 SER HA H 16 4.337 4.337 4.491 -0.154 19683
1198 1 8 . 1 1 16 16 SER CA C 16 59.453 59.453 57.799 1.654 19683
1199 1 8 . 1 1 16 16 SER CB C 16 63.733 63.733 64.375 -0.642 19683
1200 1 8 . 1 1 16 16 SER H H 16 7.607 7.607 7.550 0.057 19683
1201 1 8 . 1 1 17 17 GLY N N 17 109.738 109.738 111.030 -1.292 19683
1202 1 8 . 1 1 17 17 GLY CA C 17 45.606 45.606 45.422 0.184 19683
1203 1 8 . 1 1 17 17 GLY H H 17 7.841 7.841 8.650 -0.809 19683
1204 1 8 . 1 1 18 18 GLY N N 18 108.279 108.279 107.111 1.168 19683
1205 1 8 . 1 1 18 18 GLY CA C 18 45.800 45.800 45.720 0.080 19683
1206 1 8 . 1 1 18 18 GLY H H 18 8.158 8.158 7.849 0.309 19683
1207 1 8 . 1 1 19 19 THR N N 19 113.347 113.347 115.324 -1.977 19683
1208 1 8 . 1 1 19 19 THR HA H 19 4.359 4.359 4.320 0.039 19683
1209 1 8 . 1 1 19 19 THR CA C 19 62.334 62.334 62.144 0.190 19683
1210 1 8 . 1 1 19 19 THR CB C 19 69.872 69.872 69.662 0.210 19683
1211 1 8 . 1 1 19 19 THR H H 19 8.064 8.064 7.577 0.487 19683
1212 1 8 . 1 1 20 20 ILE N N 20 122.333 122.333 120.467 1.866 19683
1213 1 8 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.071 0.074 19683
1214 1 8 . 1 1 20 20 ILE CA C 20 61.909 61.909 61.905 0.004 19683
1215 1 8 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.076 0.252 19683
1216 1 8 . 1 1 20 20 ILE H H 20 8.061 8.061 8.106 -0.045 19683
1217 1 8 . 1 1 21 21 GLY N N 21 112.495 112.495 107.445 5.050 19683
1218 1 8 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.745 0.556 19683
1219 1 8 . 1 1 21 21 GLY H H 21 8.423 8.423 7.553 0.870 19683
1220 1 8 . 1 1 22 22 CYS N N 22 120.376 120.376 119.565 0.811 19683
1221 1 8 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.201 0.472 19683
1222 1 8 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.857 1.220 19683
1223 1 8 . 1 1 22 22 CYS CB C 22 33.832 33.832 27.684 6.148 19683
1224 1 8 . 1 1 22 22 CYS H H 22 8.284 8.284 8.235 0.049 19683
1225 1 8 . 1 1 23 23 GLY N N 23 112.782 112.782 110.741 2.041 19683
1226 1 8 . 1 1 23 23 GLY CA C 23 45.985 45.985 46.101 -0.116 19683
1227 1 8 . 1 1 23 23 GLY H H 23 8.656 8.656 8.637 0.019 19683
1228 1 8 . 1 1 24 24 GLY N N 24 108.819 108.819 108.278 0.541 19683
1229 1 8 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.211 0.268 19683
1230 1 8 . 1 1 24 24 GLY H H 24 8.371 8.371 8.226 0.145 19683
1231 1 8 . 1 1 25 25 GLY N N 25 109.405 109.405 108.202 1.203 19683
1232 1 8 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.427 0.713 19683
1233 1 8 . 1 1 25 25 GLY H H 25 8.397 8.397 8.446 -0.049 19683
1234 1 8 . 1 1 26 26 ALA N N 26 123.138 123.138 124.144 -1.006 19683
1235 1 8 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.129 0.032 19683
1236 1 8 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.609 0.206 19683
1237 1 8 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.480 0.341 19683
1238 1 8 . 1 1 26 26 ALA H H 26 8.064 8.064 7.937 0.127 19683
1239 1 8 . 1 1 27 27 VAL N N 27 119.932 119.932 118.397 1.535 19683
1240 1 8 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.833 -0.058 19683
1241 1 8 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.069 1.768 19683
1242 1 8 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.668 0.240 19683
1243 1 8 . 1 1 27 27 VAL H H 27 8.102 8.102 7.652 0.450 19683
1244 1 8 . 1 1 28 28 ALA N N 28 122.939 122.939 121.710 1.229 19683
1245 1 8 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.131 0.118 19683
1246 1 8 . 1 1 28 28 ALA CA C 28 55.751 55.751 54.999 0.752 19683
1247 1 8 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.998 0.362 19683
1248 1 8 . 1 1 28 28 ALA H H 28 8.032 8.032 7.412 0.620 19683
1249 1 8 . 1 1 29 29 CYS N N 29 114.339 114.339 117.165 -2.826 19683
1250 1 8 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.351 0.101 19683
1251 1 8 . 1 1 29 29 CYS CA C 29 56.997 56.997 62.995 -5.998 19683
1252 1 8 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.430 12.450 19683
1253 1 8 . 1 1 29 29 CYS H H 29 8.278 8.278 7.840 0.438 19683
1254 1 8 . 1 1 30 30 GLN N N 30 121.500 121.500 120.459 1.041 19683
1255 1 8 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.106 -0.020 19683
1256 1 8 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.559 0.644 19683
1257 1 8 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.630 0.603 19683
1258 1 8 . 1 1 30 30 GLN H H 30 8.118 8.118 8.155 -0.037 19683
1259 1 8 . 1 1 31 31 ASN N N 31 119.134 119.134 119.144 -0.010 19683
1260 1 8 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.324 0.208 19683
1261 1 8 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.624 2.793 19683
1262 1 8 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.584 -0.051 19683
1263 1 8 . 1 1 31 31 ASN H H 31 8.724 8.724 8.142 0.582 19683
1264 1 8 . 1 1 32 32 TYR N N 32 122.198 122.198 121.911 0.287 19683
1265 1 8 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.302 -0.407 19683
1266 1 8 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.162 0.822 19683
1267 1 8 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.505 0.138 19683
1268 1 8 . 1 1 32 32 TYR H H 32 8.869 8.869 7.867 1.002 19683
1269 1 8 . 1 1 33 33 ARG N N 33 117.088 117.088 119.674 -2.586 19683
1270 1 8 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.356 -0.452 19683
1271 1 8 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.492 0.807 19683
1272 1 8 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.921 0.214 19683
1273 1 8 . 1 1 33 33 ARG H H 33 8.068 8.068 8.035 0.033 19683
1274 1 8 . 1 1 34 34 GLN N N 34 115.563 115.563 116.929 -1.366 19683
1275 1 8 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.924 0.023 19683
1276 1 8 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.290 -0.048 19683
1277 1 8 . 1 1 34 34 GLN CB C 34 29.327 29.327 29.014 0.313 19683
1278 1 8 . 1 1 34 34 GLN H H 34 7.705 7.705 7.586 0.119 19683
1279 1 8 . 1 1 35 35 PHE N N 35 113.257 113.257 116.746 -3.489 19683
1280 1 8 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.432 0.554 19683
1281 1 8 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.943 -1.668 19683
1282 1 8 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.351 1.073 19683
1283 1 8 . 1 1 35 35 PHE H H 35 7.993 7.993 7.935 0.058 19683
1284 1 8 . 1 1 36 36 CYS N N 36 117.360 117.360 119.173 -1.813 19683
1285 1 8 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.580 0.277 19683
1286 1 8 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.590 -1.764 19683
1287 1 8 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.650 17.415 19683
1288 1 8 . 1 1 36 36 CYS H H 36 8.095 8.095 8.387 -0.292 19683
1289 1 9 . 1 1 2 2 LEU N N 2 121.139 121.139 119.687 1.452 19683
1290 1 9 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.975 0.441 19683
1291 1 9 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.561 -0.560 19683
1292 1 9 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.221 3.734 19683
1293 1 9 . 1 1 2 2 LEU H H 2 8.344 8.344 7.979 0.365 19683
1294 1 9 . 1 1 3 3 GLY N N 3 108.320 108.320 106.957 1.363 19683
1295 1 9 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.189 0.308 19683
1296 1 9 . 1 1 3 3 GLY H H 3 8.344 8.344 8.007 0.337 19683
1297 1 9 . 1 1 4 4 LYS N N 4 119.456 119.456 120.501 -1.045 19683
1298 1 9 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.185 -0.197 19683
1299 1 9 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.496 -2.715 19683
1300 1 9 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.147 8.978 19683
1301 1 9 . 1 1 4 4 LYS H H 4 8.494 8.494 8.342 0.152 19683
1302 1 9 . 1 1 5 5 ALA N N 5 121.755 121.755 126.265 -4.510 19683
1303 1 9 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.947 0.317 19683
1304 1 9 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.262 1.098 19683
1305 1 9 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.149 1.023 19683
1306 1 9 . 1 1 5 5 ALA H H 5 8.748 8.748 8.903 -0.155 19683
1307 1 9 . 1 1 6 6 GLN N N 6 119.671 119.671 118.539 1.132 19683
1308 1 9 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.166 0.051 19683
1309 1 9 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.666 0.642 19683
1310 1 9 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.630 -0.111 19683
1311 1 9 . 1 1 6 6 GLN H H 6 8.148 8.148 7.815 0.333 19683
1312 1 9 . 1 1 7 7 CYS N N 7 119.391 119.391 118.960 0.431 19683
1313 1 9 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.233 0.403 19683
1314 1 9 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.722 -1.831 19683
1315 1 9 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.082 14.662 19683
1316 1 9 . 1 1 7 7 CYS H H 7 8.623 8.623 8.234 0.389 19683
1317 1 9 . 1 1 8 8 ALA N N 8 124.035 124.035 121.682 2.353 19683
1318 1 9 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.240 0.164 19683
1319 1 9 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.363 0.225 19683
1320 1 9 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.259 -0.510 19683
1321 1 9 . 1 1 8 8 ALA H H 8 8.498 8.498 8.463 0.035 19683
1322 1 9 . 1 1 9 9 ALA N N 9 120.921 120.921 121.199 -0.278 19683
1323 1 9 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.105 0.172 19683
1324 1 9 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.820 0.532 19683
1325 1 9 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.253 -0.234 19683
1326 1 9 . 1 1 9 9 ALA H H 9 7.724 7.724 8.229 -0.505 19683
1327 1 9 . 1 1 10 10 LEU N N 10 119.961 119.961 120.535 -0.574 19683
1328 1 9 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.146 0.098 19683
1329 1 9 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.000 -0.248 19683
1330 1 9 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.861 1.758 19683
1331 1 9 . 1 1 10 10 LEU H H 10 8.184 8.184 7.841 0.343 19683
1332 1 9 . 1 1 11 11 TRP N N 11 120.212 120.212 118.648 1.564 19683
1333 1 9 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.427 -0.726 19683
1334 1 9 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.371 1.184 19683
1335 1 9 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.337 -1.205 19683
1336 1 9 . 1 1 11 11 TRP H H 11 8.788 8.788 7.772 1.016 19683
1337 1 9 . 1 1 12 12 LEU N N 12 117.556 117.556 119.989 -2.433 19683
1338 1 9 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.119 0.684 19683
1339 1 9 . 1 1 12 12 LEU CA C 12 58.041 58.041 56.887 1.154 19683
1340 1 9 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.434 0.384 19683
1341 1 9 . 1 1 12 12 LEU H H 12 7.733 7.733 7.952 -0.219 19683
1342 1 9 . 1 1 13 13 GLN N N 13 118.567 118.567 118.798 -0.231 19683
1343 1 9 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.924 0.023 19683
1344 1 9 . 1 1 13 13 GLN CA C 13 58.688 58.688 59.026 -0.338 19683
1345 1 9 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.410 0.606 19683
1346 1 9 . 1 1 13 13 GLN H H 13 7.738 7.738 8.673 -0.935 19683
1347 1 9 . 1 1 14 14 CYS N N 14 118.351 118.351 116.548 1.803 19683
1348 1 9 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.264 0.071 19683
1349 1 9 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.669 -1.911 19683
1350 1 9 . 1 1 14 14 CYS CB C 14 38.714 38.714 24.971 13.743 19683
1351 1 9 . 1 1 14 14 CYS H H 14 8.213 8.213 7.560 0.653 19683
1352 1 9 . 1 1 15 15 ALA N N 15 121.693 121.693 122.857 -1.164 19683
1353 1 9 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.973 -0.207 19683
1354 1 9 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.391 -0.342 19683
1355 1 9 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.551 -0.768 19683
1356 1 9 . 1 1 15 15 ALA H H 15 8.173 8.173 7.657 0.516 19683
1357 1 9 . 1 1 16 16 SER N N 16 111.866 111.866 112.602 -0.736 19683
1358 1 9 . 1 1 16 16 SER HA H 16 4.337 4.337 4.461 -0.124 19683
1359 1 9 . 1 1 16 16 SER CA C 16 59.453 59.453 58.714 0.739 19683
1360 1 9 . 1 1 16 16 SER CB C 16 63.733 63.733 65.214 -1.481 19683
1361 1 9 . 1 1 16 16 SER H H 16 7.607 7.607 7.973 -0.366 19683
1362 1 9 . 1 1 17 17 GLY N N 17 109.738 109.738 111.515 -1.777 19683
1363 1 9 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.734 0.872 19683
1364 1 9 . 1 1 17 17 GLY H H 17 7.841 7.841 7.745 0.096 19683
1365 1 9 . 1 1 18 18 GLY N N 18 108.279 108.279 106.287 1.992 19683
1366 1 9 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.528 1.272 19683
1367 1 9 . 1 1 18 18 GLY H H 18 8.158 8.158 7.457 0.701 19683
1368 1 9 . 1 1 19 19 THR N N 19 113.347 113.347 110.873 2.474 19683
1369 1 9 . 1 1 19 19 THR HA H 19 4.359 4.359 4.626 -0.267 19683
1370 1 9 . 1 1 19 19 THR CA C 19 62.334 62.334 59.932 2.402 19683
1371 1 9 . 1 1 19 19 THR CB C 19 69.872 69.872 70.873 -1.001 19683
1372 1 9 . 1 1 19 19 THR H H 19 8.064 8.064 7.878 0.186 19683
1373 1 9 . 1 1 20 20 ILE N N 20 122.333 122.333 119.129 3.204 19683
1374 1 9 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.018 0.127 19683
1375 1 9 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.448 -1.539 19683
1376 1 9 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.978 0.350 19683
1377 1 9 . 1 1 20 20 ILE H H 20 8.061 8.061 8.417 -0.356 19683
1378 1 9 . 1 1 21 21 GLY N N 21 112.495 112.495 106.393 6.102 19683
1379 1 9 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.314 0.988 19683
1380 1 9 . 1 1 21 21 GLY H H 21 8.423 8.423 7.901 0.522 19683
1381 1 9 . 1 1 22 22 CYS N N 22 120.376 120.376 118.462 1.914 19683
1382 1 9 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.188 0.485 19683
1383 1 9 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.104 1.973 19683
1384 1 9 . 1 1 22 22 CYS CB C 22 33.832 33.832 26.279 7.553 19683
1385 1 9 . 1 1 22 22 CYS H H 22 8.284 8.284 7.733 0.551 19683
1386 1 9 . 1 1 23 23 GLY N N 23 112.782 112.782 116.507 -3.725 19683
1387 1 9 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.988 0.997 19683
1388 1 9 . 1 1 23 23 GLY H H 23 8.656 8.656 8.302 0.354 19683
1389 1 9 . 1 1 24 24 GLY N N 24 108.819 108.819 112.376 -3.557 19683
1390 1 9 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.151 0.327 19683
1391 1 9 . 1 1 24 24 GLY H H 24 8.371 8.371 8.548 -0.177 19683
1392 1 9 . 1 1 25 25 GLY N N 25 109.405 109.405 107.056 2.349 19683
1393 1 9 . 1 1 25 25 GLY CA C 25 46.140 46.140 46.095 0.045 19683
1394 1 9 . 1 1 25 25 GLY H H 25 8.397 8.397 8.696 -0.299 19683
1395 1 9 . 1 1 26 26 ALA N N 26 123.138 123.138 123.324 -0.186 19683
1396 1 9 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.060 0.101 19683
1397 1 9 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.310 0.505 19683
1398 1 9 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.372 0.448 19683
1399 1 9 . 1 1 26 26 ALA H H 26 8.064 8.064 7.745 0.319 19683
1400 1 9 . 1 1 27 27 VAL N N 27 119.932 119.932 118.686 1.246 19683
1401 1 9 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.840 -0.065 19683
1402 1 9 . 1 1 27 27 VAL CA C 27 65.836 65.836 63.926 1.910 19683
1403 1 9 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.703 0.205 19683
1404 1 9 . 1 1 27 27 VAL H H 27 8.102 8.102 7.654 0.448 19683
1405 1 9 . 1 1 28 28 ALA N N 28 122.939 122.939 121.841 1.098 19683
1406 1 9 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.095 0.154 19683
1407 1 9 . 1 1 28 28 ALA CA C 28 55.751 55.751 54.990 0.761 19683
1408 1 9 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.936 0.424 19683
1409 1 9 . 1 1 28 28 ALA H H 28 8.032 8.032 7.956 0.076 19683
1410 1 9 . 1 1 29 29 CYS N N 29 114.339 114.339 117.338 -2.999 19683
1411 1 9 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.214 0.238 19683
1412 1 9 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.384 -6.387 19683
1413 1 9 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.535 12.345 19683
1414 1 9 . 1 1 29 29 CYS H H 29 8.278 8.278 7.762 0.516 19683
1415 1 9 . 1 1 30 30 GLN N N 30 121.500 121.500 119.234 2.266 19683
1416 1 9 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.095 -0.009 19683
1417 1 9 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.462 0.741 19683
1418 1 9 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.735 0.497 19683
1419 1 9 . 1 1 30 30 GLN H H 30 8.118 8.118 8.079 0.039 19683
1420 1 9 . 1 1 31 31 ASN N N 31 119.134 119.134 119.031 0.103 19683
1421 1 9 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.326 0.206 19683
1422 1 9 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.620 2.796 19683
1423 1 9 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.579 -0.046 19683
1424 1 9 . 1 1 31 31 ASN H H 31 8.724 8.724 8.148 0.576 19683
1425 1 9 . 1 1 32 32 TYR N N 32 122.198 122.198 121.483 0.715 19683
1426 1 9 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.270 -0.375 19683
1427 1 9 . 1 1 32 32 TYR CA C 32 62.984 62.984 61.989 0.995 19683
1428 1 9 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.573 0.070 19683
1429 1 9 . 1 1 32 32 TYR H H 32 8.869 8.869 7.808 1.061 19683
1430 1 9 . 1 1 33 33 ARG N N 33 117.088 117.088 119.339 -2.251 19683
1431 1 9 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.087 -0.183 19683
1432 1 9 . 1 1 33 33 ARG CA C 33 59.299 59.299 59.263 0.036 19683
1433 1 9 . 1 1 33 33 ARG CB C 33 30.135 30.135 30.098 0.037 19683
1434 1 9 . 1 1 33 33 ARG H H 33 8.068 8.068 7.979 0.089 19683
1435 1 9 . 1 1 34 34 GLN N N 34 115.563 115.563 117.400 -1.837 19683
1436 1 9 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.916 0.031 19683
1437 1 9 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.528 -0.286 19683
1438 1 9 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.632 0.695 19683
1439 1 9 . 1 1 34 34 GLN H H 34 7.705 7.705 7.561 0.144 19683
1440 1 9 . 1 1 35 35 PHE N N 35 113.257 113.257 117.863 -4.606 19683
1441 1 9 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.460 0.526 19683
1442 1 9 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.727 -1.452 19683
1443 1 9 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.092 1.332 19683
1444 1 9 . 1 1 35 35 PHE H H 35 7.993 7.993 7.935 0.058 19683
1445 1 9 . 1 1 36 36 CYS N N 36 117.360 117.360 119.546 -2.186 19683
1446 1 9 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.507 0.350 19683
1447 1 9 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.833 -2.007 19683
1448 1 9 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.195 16.870 19683
1449 1 9 . 1 1 36 36 CYS H H 36 8.095 8.095 8.331 -0.236 19683
1450 1 10 . 1 1 2 2 LEU N N 2 121.139 121.139 119.705 1.434 19683
1451 1 10 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.876 0.540 19683
1452 1 10 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.560 -0.559 19683
1453 1 10 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.392 3.563 19683
1454 1 10 . 1 1 2 2 LEU H H 2 8.344 8.344 8.124 0.220 19683
1455 1 10 . 1 1 3 3 GLY N N 3 108.320 108.320 104.127 4.193 19683
1456 1 10 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.225 0.272 19683
1457 1 10 . 1 1 3 3 GLY H H 3 8.344 8.344 7.523 0.821 19683
1458 1 10 . 1 1 4 4 LYS N N 4 119.456 119.456 120.002 -0.546 19683
1459 1 10 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.271 -0.283 19683
1460 1 10 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.594 -2.813 19683
1461 1 10 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.463 8.662 19683
1462 1 10 . 1 1 4 4 LYS H H 4 8.494 8.494 8.489 0.005 19683
1463 1 10 . 1 1 5 5 ALA N N 5 121.755 121.755 125.920 -4.165 19683
1464 1 10 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.966 0.298 19683
1465 1 10 . 1 1 5 5 ALA CA C 5 55.360 55.360 53.870 1.490 19683
1466 1 10 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.126 1.046 19683
1467 1 10 . 1 1 5 5 ALA H H 5 8.748 8.748 8.886 -0.138 19683
1468 1 10 . 1 1 6 6 GLN N N 6 119.671 119.671 119.474 0.197 19683
1469 1 10 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.168 0.049 19683
1470 1 10 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.504 0.805 19683
1471 1 10 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.699 -0.180 19683
1472 1 10 . 1 1 6 6 GLN H H 6 8.148 8.148 7.838 0.310 19683
1473 1 10 . 1 1 7 7 CYS N N 7 119.391 119.391 118.852 0.539 19683
1474 1 10 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.258 0.378 19683
1475 1 10 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.715 -1.824 19683
1476 1 10 . 1 1 7 7 CYS CB C 7 40.744 40.744 25.841 14.903 19683
1477 1 10 . 1 1 7 7 CYS H H 7 8.623 8.623 7.824 0.799 19683
1478 1 10 . 1 1 8 8 ALA N N 8 124.035 124.035 121.803 2.232 19683
1479 1 10 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.232 0.172 19683
1480 1 10 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.447 0.141 19683
1481 1 10 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.274 -0.525 19683
1482 1 10 . 1 1 8 8 ALA H H 8 8.498 8.498 8.467 0.031 19683
1483 1 10 . 1 1 9 9 ALA N N 9 120.921 120.921 121.015 -0.094 19683
1484 1 10 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.098 0.179 19683
1485 1 10 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.823 0.529 19683
1486 1 10 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.257 -0.238 19683
1487 1 10 . 1 1 9 9 ALA H H 9 7.724 7.724 8.100 -0.376 19683
1488 1 10 . 1 1 10 10 LEU N N 10 119.961 119.961 120.529 -0.568 19683
1489 1 10 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.153 0.091 19683
1490 1 10 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.946 -0.194 19683
1491 1 10 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.887 1.732 19683
1492 1 10 . 1 1 10 10 LEU H H 10 8.184 8.184 7.766 0.418 19683
1493 1 10 . 1 1 11 11 TRP N N 11 120.212 120.212 119.194 1.018 19683
1494 1 10 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.458 -0.757 19683
1495 1 10 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.612 0.943 19683
1496 1 10 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.097 -0.965 19683
1497 1 10 . 1 1 11 11 TRP H H 11 8.788 8.788 7.932 0.856 19683
1498 1 10 . 1 1 12 12 LEU N N 12 117.556 117.556 120.266 -2.710 19683
1499 1 10 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.057 0.746 19683
1500 1 10 . 1 1 12 12 LEU CA C 12 58.041 58.041 56.989 1.052 19683
1501 1 10 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.978 -0.159 19683
1502 1 10 . 1 1 12 12 LEU H H 12 7.733 7.733 8.203 -0.470 19683
1503 1 10 . 1 1 13 13 GLN N N 13 118.567 118.567 118.206 0.361 19683
1504 1 10 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.940 0.007 19683
1505 1 10 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.703 -0.015 19683
1506 1 10 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.079 0.937 19683
1507 1 10 . 1 1 13 13 GLN H H 13 7.738 7.738 8.587 -0.849 19683
1508 1 10 . 1 1 14 14 CYS N N 14 118.351 118.351 116.761 1.590 19683
1509 1 10 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.334 0.001 19683
1510 1 10 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.508 -1.750 19683
1511 1 10 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.080 13.634 19683
1512 1 10 . 1 1 14 14 CYS H H 14 8.213 8.213 7.520 0.693 19683
1513 1 10 . 1 1 15 15 ALA N N 15 121.693 121.693 122.955 -1.262 19683
1514 1 10 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.881 -0.115 19683
1515 1 10 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.521 -0.472 19683
1516 1 10 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.523 -0.740 19683
1517 1 10 . 1 1 15 15 ALA H H 15 8.173 8.173 7.654 0.519 19683
1518 1 10 . 1 1 16 16 SER N N 16 111.866 111.866 113.105 -1.239 19683
1519 1 10 . 1 1 16 16 SER HA H 16 4.337 4.337 4.498 -0.161 19683
1520 1 10 . 1 1 16 16 SER CA C 16 59.453 59.453 58.097 1.356 19683
1521 1 10 . 1 1 16 16 SER CB C 16 63.733 63.733 64.651 -0.918 19683
1522 1 10 . 1 1 16 16 SER H H 16 7.607 7.607 7.789 -0.182 19683
1523 1 10 . 1 1 17 17 GLY N N 17 109.738 109.738 109.563 0.175 19683
1524 1 10 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.872 0.734 19683
1525 1 10 . 1 1 17 17 GLY H H 17 7.841 7.841 7.631 0.210 19683
1526 1 10 . 1 1 18 18 GLY N N 18 108.279 108.279 106.640 1.639 19683
1527 1 10 . 1 1 18 18 GLY CA C 18 45.800 45.800 45.204 0.596 19683
1528 1 10 . 1 1 18 18 GLY H H 18 8.158 8.158 7.495 0.663 19683
1529 1 10 . 1 1 19 19 THR N N 19 113.347 113.347 113.653 -0.306 19683
1530 1 10 . 1 1 19 19 THR HA H 19 4.359 4.359 4.680 -0.321 19683
1531 1 10 . 1 1 19 19 THR CA C 19 62.334 62.334 60.165 2.169 19683
1532 1 10 . 1 1 19 19 THR CB C 19 69.872 69.872 71.701 -1.829 19683
1533 1 10 . 1 1 19 19 THR H H 19 8.064 8.064 7.961 0.103 19683
1534 1 10 . 1 1 20 20 ILE N N 20 122.333 122.333 124.516 -2.183 19683
1535 1 10 . 1 1 20 20 ILE HA H 20 4.145 4.145 3.983 0.162 19683
1536 1 10 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.925 -1.016 19683
1537 1 10 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.144 0.184 19683
1538 1 10 . 1 1 20 20 ILE H H 20 8.061 8.061 8.901 -0.840 19683
1539 1 10 . 1 1 21 21 GLY N N 21 112.495 112.495 107.124 5.371 19683
1540 1 10 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.796 0.506 19683
1541 1 10 . 1 1 21 21 GLY H H 21 8.423 8.423 7.958 0.465 19683
1542 1 10 . 1 1 22 22 CYS N N 22 120.376 120.376 117.975 2.401 19683
1543 1 10 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.151 0.522 19683
1544 1 10 . 1 1 22 22 CYS CA C 22 61.077 61.077 58.508 2.569 19683
1545 1 10 . 1 1 22 22 CYS CB C 22 33.832 33.832 26.031 7.801 19683
1546 1 10 . 1 1 22 22 CYS H H 22 8.284 8.284 7.619 0.665 19683
1547 1 10 . 1 1 23 23 GLY N N 23 112.782 112.782 114.873 -2.091 19683
1548 1 10 . 1 1 23 23 GLY CA C 23 45.985 45.985 45.407 0.578 19683
1549 1 10 . 1 1 23 23 GLY H H 23 8.656 8.656 8.364 0.292 19683
1550 1 10 . 1 1 24 24 GLY N N 24 108.819 108.819 112.006 -3.187 19683
1551 1 10 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.135 0.343 19683
1552 1 10 . 1 1 24 24 GLY H H 24 8.371 8.371 8.404 -0.033 19683
1553 1 10 . 1 1 25 25 GLY N N 25 109.405 109.405 108.938 0.467 19683
1554 1 10 . 1 1 25 25 GLY CA C 25 46.140 46.140 46.400 -0.260 19683
1555 1 10 . 1 1 25 25 GLY H H 25 8.397 8.397 8.704 -0.307 19683
1556 1 10 . 1 1 26 26 ALA N N 26 123.138 123.138 124.063 -0.925 19683
1557 1 10 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.168 -0.007 19683
1558 1 10 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.581 0.234 19683
1559 1 10 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.760 0.060 19683
1560 1 10 . 1 1 26 26 ALA H H 26 8.064 8.064 8.041 0.023 19683
1561 1 10 . 1 1 27 27 VAL N N 27 119.932 119.932 116.699 3.233 19683
1562 1 10 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.860 -0.085 19683
1563 1 10 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.030 1.806 19683
1564 1 10 . 1 1 27 27 VAL CB C 27 31.908 31.908 30.389 1.519 19683
1565 1 10 . 1 1 27 27 VAL H H 27 8.102 8.102 7.935 0.167 19683
1566 1 10 . 1 1 28 28 ALA N N 28 122.939 122.939 123.137 -0.198 19683
1567 1 10 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.048 0.201 19683
1568 1 10 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.350 0.401 19683
1569 1 10 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.650 0.710 19683
1570 1 10 . 1 1 28 28 ALA H H 28 8.032 8.032 7.743 0.289 19683
1571 1 10 . 1 1 29 29 CYS N N 29 114.339 114.339 117.796 -3.457 19683
1572 1 10 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.238 0.214 19683
1573 1 10 . 1 1 29 29 CYS CA C 29 56.997 56.997 62.858 -5.861 19683
1574 1 10 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.243 12.637 19683
1575 1 10 . 1 1 29 29 CYS H H 29 8.278 8.278 8.322 -0.044 19683
1576 1 10 . 1 1 30 30 GLN N N 30 121.500 121.500 120.125 1.375 19683
1577 1 10 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.114 -0.028 19683
1578 1 10 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.594 0.609 19683
1579 1 10 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.557 0.676 19683
1580 1 10 . 1 1 30 30 GLN H H 30 8.118 8.118 8.173 -0.055 19683
1581 1 10 . 1 1 31 31 ASN N N 31 119.134 119.134 119.170 -0.036 19683
1582 1 10 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.357 0.175 19683
1583 1 10 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.632 2.785 19683
1584 1 10 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.537 -0.004 19683
1585 1 10 . 1 1 31 31 ASN H H 31 8.724 8.724 8.724 -0.000 19683
1586 1 10 . 1 1 32 32 TYR N N 32 122.198 122.198 121.938 0.260 19683
1587 1 10 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.322 -0.427 19683
1588 1 10 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.114 0.870 19683
1589 1 10 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.510 0.133 19683
1590 1 10 . 1 1 32 32 TYR H H 32 8.869 8.869 7.766 1.103 19683
1591 1 10 . 1 1 33 33 ARG N N 33 117.088 117.088 118.977 -1.889 19683
1592 1 10 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.220 -0.316 19683
1593 1 10 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.707 0.592 19683
1594 1 10 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.653 0.482 19683
1595 1 10 . 1 1 33 33 ARG H H 33 8.068 8.068 8.023 0.045 19683
1596 1 10 . 1 1 34 34 GLN N N 34 115.563 115.563 117.971 -2.408 19683
1597 1 10 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.962 -0.015 19683
1598 1 10 . 1 1 34 34 GLN CA C 34 58.242 58.242 57.801 0.441 19683
1599 1 10 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.295 1.032 19683
1600 1 10 . 1 1 34 34 GLN H H 34 7.705 7.705 7.657 0.048 19683
1601 1 10 . 1 1 35 35 PHE N N 35 113.257 113.257 118.035 -4.778 19683
1602 1 10 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.419 0.567 19683
1603 1 10 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.980 -1.705 19683
1604 1 10 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.201 1.223 19683
1605 1 10 . 1 1 35 35 PHE H H 35 7.993 7.993 7.794 0.199 19683
1606 1 10 . 1 1 36 36 CYS N N 36 117.360 117.360 119.249 -1.889 19683
1607 1 10 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.527 0.330 19683
1608 1 10 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.740 -1.915 19683
1609 1 10 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.997 17.068 19683
1610 1 10 . 1 1 36 36 CYS H H 36 8.095 8.095 8.181 -0.086 19683
1611 1 11 . 1 1 2 2 LEU N N 2 121.139 121.139 118.060 3.079 19683
1612 1 11 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.903 0.513 19683
1613 1 11 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.055 -0.054 19683
1614 1 11 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.873 3.082 19683
1615 1 11 . 1 1 2 2 LEU H H 2 8.344 8.344 8.495 -0.151 19683
1616 1 11 . 1 1 3 3 GLY N N 3 108.320 108.320 105.230 3.090 19683
1617 1 11 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.902 0.595 19683
1618 1 11 . 1 1 3 3 GLY H H 3 8.344 8.344 7.793 0.551 19683
1619 1 11 . 1 1 4 4 LYS N N 4 119.456 119.456 120.528 -1.072 19683
1620 1 11 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.154 -0.166 19683
1621 1 11 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.469 -2.688 19683
1622 1 11 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.149 8.976 19683
1623 1 11 . 1 1 4 4 LYS H H 4 8.494 8.494 8.281 0.213 19683
1624 1 11 . 1 1 5 5 ALA N N 5 121.755 121.755 126.699 -4.944 19683
1625 1 11 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.978 0.286 19683
1626 1 11 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.114 1.246 19683
1627 1 11 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.157 1.015 19683
1628 1 11 . 1 1 5 5 ALA H H 5 8.748 8.748 8.923 -0.175 19683
1629 1 11 . 1 1 6 6 GLN N N 6 119.671 119.671 118.319 1.352 19683
1630 1 11 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.109 0.108 19683
1631 1 11 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.604 0.705 19683
1632 1 11 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.745 -0.227 19683
1633 1 11 . 1 1 6 6 GLN H H 6 8.148 8.148 7.840 0.308 19683
1634 1 11 . 1 1 7 7 CYS N N 7 119.391 119.391 118.839 0.552 19683
1635 1 11 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.247 0.389 19683
1636 1 11 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.604 -1.713 19683
1637 1 11 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.250 14.494 19683
1638 1 11 . 1 1 7 7 CYS H H 7 8.623 8.623 8.224 0.399 19683
1639 1 11 . 1 1 8 8 ALA N N 8 124.035 124.035 121.707 2.328 19683
1640 1 11 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.231 0.173 19683
1641 1 11 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.329 0.259 19683
1642 1 11 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.267 -0.518 19683
1643 1 11 . 1 1 8 8 ALA H H 8 8.498 8.498 8.498 0.000 19683
1644 1 11 . 1 1 9 9 ALA N N 9 120.921 120.921 121.127 -0.206 19683
1645 1 11 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.124 0.153 19683
1646 1 11 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.773 0.579 19683
1647 1 11 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.254 -0.235 19683
1648 1 11 . 1 1 9 9 ALA H H 9 7.724 7.724 8.241 -0.517 19683
1649 1 11 . 1 1 10 10 LEU N N 10 119.961 119.961 121.364 -1.403 19683
1650 1 11 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.222 0.022 19683
1651 1 11 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.849 -0.097 19683
1652 1 11 . 1 1 10 10 LEU CB C 10 43.619 43.619 42.072 1.547 19683
1653 1 11 . 1 1 10 10 LEU H H 10 8.184 8.184 7.844 0.340 19683
1654 1 11 . 1 1 11 11 TRP N N 11 120.212 120.212 119.043 1.169 19683
1655 1 11 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.385 -0.684 19683
1656 1 11 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.439 1.116 19683
1657 1 11 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.197 -1.065 19683
1658 1 11 . 1 1 11 11 TRP H H 11 8.788 8.788 7.812 0.976 19683
1659 1 11 . 1 1 12 12 LEU N N 12 117.556 117.556 120.223 -2.667 19683
1660 1 11 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.053 0.750 19683
1661 1 11 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.062 0.979 19683
1662 1 11 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.105 0.714 19683
1663 1 11 . 1 1 12 12 LEU H H 12 7.733 7.733 7.966 -0.233 19683
1664 1 11 . 1 1 13 13 GLN N N 13 118.567 118.567 118.587 -0.020 19683
1665 1 11 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.940 0.007 19683
1666 1 11 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.866 -0.178 19683
1667 1 11 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.961 1.055 19683
1668 1 11 . 1 1 13 13 GLN H H 13 7.738 7.738 8.810 -1.072 19683
1669 1 11 . 1 1 14 14 CYS N N 14 118.351 118.351 116.299 2.052 19683
1670 1 11 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.467 -0.132 19683
1671 1 11 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.963 -2.205 19683
1672 1 11 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.596 13.118 19683
1673 1 11 . 1 1 14 14 CYS H H 14 8.213 8.213 7.569 0.644 19683
1674 1 11 . 1 1 15 15 ALA N N 15 121.693 121.693 121.216 0.477 19683
1675 1 11 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.984 -0.218 19683
1676 1 11 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.399 -0.350 19683
1677 1 11 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.651 -0.868 19683
1678 1 11 . 1 1 15 15 ALA H H 15 8.173 8.173 7.621 0.552 19683
1679 1 11 . 1 1 16 16 SER N N 16 111.866 111.866 111.734 0.132 19683
1680 1 11 . 1 1 16 16 SER HA H 16 4.337 4.337 4.597 -0.260 19683
1681 1 11 . 1 1 16 16 SER CA C 16 59.453 59.453 58.823 0.630 19683
1682 1 11 . 1 1 16 16 SER CB C 16 63.733 63.733 64.581 -0.848 19683
1683 1 11 . 1 1 16 16 SER H H 16 7.607 7.607 7.682 -0.075 19683
1684 1 11 . 1 1 17 17 GLY N N 17 109.738 109.738 107.592 2.146 19683
1685 1 11 . 1 1 17 17 GLY CA C 17 45.606 45.606 45.362 0.244 19683
1686 1 11 . 1 1 17 17 GLY H H 17 7.841 7.841 8.506 -0.665 19683
1687 1 11 . 1 1 18 18 GLY N N 18 108.279 108.279 108.519 -0.240 19683
1688 1 11 . 1 1 18 18 GLY CA C 18 45.800 45.800 45.614 0.186 19683
1689 1 11 . 1 1 18 18 GLY H H 18 8.158 8.158 8.437 -0.279 19683
1690 1 11 . 1 1 19 19 THR N N 19 113.347 113.347 115.877 -2.530 19683
1691 1 11 . 1 1 19 19 THR HA H 19 4.359 4.359 4.322 0.037 19683
1692 1 11 . 1 1 19 19 THR CA C 19 62.334 62.334 62.109 0.225 19683
1693 1 11 . 1 1 19 19 THR CB C 19 69.872 69.872 68.334 1.538 19683
1694 1 11 . 1 1 19 19 THR H H 19 8.064 8.064 8.390 -0.326 19683
1695 1 11 . 1 1 20 20 ILE N N 20 122.333 122.333 118.096 4.237 19683
1696 1 11 . 1 1 20 20 ILE HA H 20 4.145 4.145 3.687 0.458 19683
1697 1 11 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.222 -1.313 19683
1698 1 11 . 1 1 20 20 ILE CB C 20 38.328 38.328 36.469 1.859 19683
1699 1 11 . 1 1 20 20 ILE H H 20 8.061 8.061 8.081 -0.020 19683
1700 1 11 . 1 1 21 21 GLY N N 21 112.495 112.495 106.888 5.607 19683
1701 1 11 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.843 0.459 19683
1702 1 11 . 1 1 21 21 GLY H H 21 8.423 8.423 7.645 0.778 19683
1703 1 11 . 1 1 22 22 CYS N N 22 120.376 120.376 118.453 1.923 19683
1704 1 11 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.138 0.535 19683
1705 1 11 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.254 1.823 19683
1706 1 11 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.891 7.941 19683
1707 1 11 . 1 1 22 22 CYS H H 22 8.284 8.284 7.817 0.467 19683
1708 1 11 . 1 1 23 23 GLY N N 23 112.782 112.782 116.008 -3.226 19683
1709 1 11 . 1 1 23 23 GLY CA C 23 45.985 45.985 45.180 0.805 19683
1710 1 11 . 1 1 23 23 GLY H H 23 8.656 8.656 8.256 0.400 19683
1711 1 11 . 1 1 24 24 GLY N N 24 108.819 108.819 111.575 -2.756 19683
1712 1 11 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.217 0.261 19683
1713 1 11 . 1 1 24 24 GLY H H 24 8.371 8.371 8.379 -0.008 19683
1714 1 11 . 1 1 25 25 GLY N N 25 109.405 109.405 108.398 1.007 19683
1715 1 11 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.185 0.955 19683
1716 1 11 . 1 1 25 25 GLY H H 25 8.397 8.397 8.416 -0.019 19683
1717 1 11 . 1 1 26 26 ALA N N 26 123.138 123.138 123.717 -0.579 19683
1718 1 11 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.156 0.005 19683
1719 1 11 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.523 0.292 19683
1720 1 11 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.624 0.196 19683
1721 1 11 . 1 1 26 26 ALA H H 26 8.064 8.064 7.946 0.118 19683
1722 1 11 . 1 1 27 27 VAL N N 27 119.932 119.932 118.846 1.086 19683
1723 1 11 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.826 -0.051 19683
1724 1 11 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.206 1.630 19683
1725 1 11 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.815 0.093 19683
1726 1 11 . 1 1 27 27 VAL H H 27 8.102 8.102 7.586 0.516 19683
1727 1 11 . 1 1 28 28 ALA N N 28 122.939 122.939 121.720 1.219 19683
1728 1 11 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.079 0.170 19683
1729 1 11 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.036 0.715 19683
1730 1 11 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.789 0.571 19683
1731 1 11 . 1 1 28 28 ALA H H 28 8.032 8.032 8.174 -0.142 19683
1732 1 11 . 1 1 29 29 CYS N N 29 114.339 114.339 117.349 -3.010 19683
1733 1 11 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.222 0.230 19683
1734 1 11 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.261 -6.264 19683
1735 1 11 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.457 12.423 19683
1736 1 11 . 1 1 29 29 CYS H H 29 8.278 8.278 7.776 0.502 19683
1737 1 11 . 1 1 30 30 GLN N N 30 121.500 121.500 119.160 2.340 19683
1738 1 11 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.106 -0.020 19683
1739 1 11 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.441 0.763 19683
1740 1 11 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.735 0.498 19683
1741 1 11 . 1 1 30 30 GLN H H 30 8.118 8.118 8.076 0.042 19683
1742 1 11 . 1 1 31 31 ASN N N 31 119.134 119.134 119.068 0.066 19683
1743 1 11 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.332 0.200 19683
1744 1 11 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.601 2.816 19683
1745 1 11 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.578 -0.045 19683
1746 1 11 . 1 1 31 31 ASN H H 31 8.724 8.724 8.056 0.668 19683
1747 1 11 . 1 1 32 32 TYR N N 32 122.198 122.198 121.623 0.575 19683
1748 1 11 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.289 -0.394 19683
1749 1 11 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.055 0.929 19683
1750 1 11 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.549 0.094 19683
1751 1 11 . 1 1 32 32 TYR H H 32 8.869 8.869 7.825 1.044 19683
1752 1 11 . 1 1 33 33 ARG N N 33 117.088 117.088 119.159 -2.071 19683
1753 1 11 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.182 -0.278 19683
1754 1 11 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.440 0.859 19683
1755 1 11 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.709 0.426 19683
1756 1 11 . 1 1 33 33 ARG H H 33 8.068 8.068 7.930 0.138 19683
1757 1 11 . 1 1 34 34 GLN N N 34 115.563 115.563 118.026 -2.463 19683
1758 1 11 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.906 0.041 19683
1759 1 11 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.570 -0.328 19683
1760 1 11 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.596 0.731 19683
1761 1 11 . 1 1 34 34 GLN H H 34 7.705 7.705 7.579 0.126 19683
1762 1 11 . 1 1 35 35 PHE N N 35 113.257 113.257 116.899 -3.642 19683
1763 1 11 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.490 0.496 19683
1764 1 11 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.624 -1.349 19683
1765 1 11 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.234 1.190 19683
1766 1 11 . 1 1 35 35 PHE H H 35 7.993 7.993 7.919 0.074 19683
1767 1 11 . 1 1 36 36 CYS N N 36 117.360 117.360 119.694 -2.334 19683
1768 1 11 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.501 0.356 19683
1769 1 11 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.852 -2.026 19683
1770 1 11 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.065 17.000 19683
1771 1 11 . 1 1 36 36 CYS H H 36 8.095 8.095 8.330 -0.235 19683
1772 1 12 . 1 1 2 2 LEU N N 2 121.139 121.139 118.662 2.477 19683
1773 1 12 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.867 0.549 19683
1774 1 12 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.036 -0.035 19683
1775 1 12 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.403 3.552 19683
1776 1 12 . 1 1 2 2 LEU H H 2 8.344 8.344 8.108 0.236 19683
1777 1 12 . 1 1 3 3 GLY N N 3 108.320 108.320 105.505 2.815 19683
1778 1 12 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.995 0.502 19683
1779 1 12 . 1 1 3 3 GLY H H 3 8.344 8.344 7.828 0.516 19683
1780 1 12 . 1 1 4 4 LYS N N 4 119.456 119.456 120.539 -1.083 19683
1781 1 12 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.143 -0.155 19683
1782 1 12 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.483 -2.702 19683
1783 1 12 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.143 8.982 19683
1784 1 12 . 1 1 4 4 LYS H H 4 8.494 8.494 8.275 0.219 19683
1785 1 12 . 1 1 5 5 ALA N N 5 121.755 121.755 126.528 -4.773 19683
1786 1 12 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.986 0.278 19683
1787 1 12 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.080 1.280 19683
1788 1 12 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.233 0.940 19683
1789 1 12 . 1 1 5 5 ALA H H 5 8.748 8.748 8.922 -0.174 19683
1790 1 12 . 1 1 6 6 GLN N N 6 119.671 119.671 118.469 1.202 19683
1791 1 12 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.110 0.107 19683
1792 1 12 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.630 0.679 19683
1793 1 12 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.799 -0.280 19683
1794 1 12 . 1 1 6 6 GLN H H 6 8.148 8.148 7.814 0.334 19683
1795 1 12 . 1 1 7 7 CYS N N 7 119.391 119.391 118.776 0.615 19683
1796 1 12 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.243 0.393 19683
1797 1 12 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.799 -1.908 19683
1798 1 12 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.224 14.520 19683
1799 1 12 . 1 1 7 7 CYS H H 7 8.623 8.623 8.171 0.452 19683
1800 1 12 . 1 1 8 8 ALA N N 8 124.035 124.035 121.643 2.392 19683
1801 1 12 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.248 0.156 19683
1802 1 12 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.367 0.222 19683
1803 1 12 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.267 -0.518 19683
1804 1 12 . 1 1 8 8 ALA H H 8 8.498 8.498 8.488 0.010 19683
1805 1 12 . 1 1 9 9 ALA N N 9 120.921 120.921 121.132 -0.211 19683
1806 1 12 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.125 0.152 19683
1807 1 12 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.783 0.569 19683
1808 1 12 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.241 -0.222 19683
1809 1 12 . 1 1 9 9 ALA H H 9 7.724 7.724 8.215 -0.491 19683
1810 1 12 . 1 1 10 10 LEU N N 10 119.961 119.961 121.192 -1.231 19683
1811 1 12 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.156 0.088 19683
1812 1 12 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.294 -0.542 19683
1813 1 12 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.865 1.754 19683
1814 1 12 . 1 1 10 10 LEU H H 10 8.184 8.184 7.835 0.349 19683
1815 1 12 . 1 1 11 11 TRP N N 11 120.212 120.212 119.681 0.531 19683
1816 1 12 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.409 -0.708 19683
1817 1 12 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.760 0.795 19683
1818 1 12 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.190 -1.058 19683
1819 1 12 . 1 1 11 11 TRP H H 11 8.788 8.788 7.895 0.893 19683
1820 1 12 . 1 1 12 12 LEU N N 12 117.556 117.556 121.213 -3.657 19683
1821 1 12 . 1 1 12 12 LEU HA H 12 3.803 3.803 2.965 0.838 19683
1822 1 12 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.744 0.297 19683
1823 1 12 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.880 -0.061 19683
1824 1 12 . 1 1 12 12 LEU H H 12 7.733 7.733 8.267 -0.534 19683
1825 1 12 . 1 1 13 13 GLN N N 13 118.567 118.567 117.747 0.820 19683
1826 1 12 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.871 0.076 19683
1827 1 12 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.834 -0.146 19683
1828 1 12 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.964 1.052 19683
1829 1 12 . 1 1 13 13 GLN H H 13 7.738 7.738 8.650 -0.912 19683
1830 1 12 . 1 1 14 14 CYS N N 14 118.351 118.351 116.770 1.581 19683
1831 1 12 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.138 0.197 19683
1832 1 12 . 1 1 14 14 CYS CA C 14 57.758 57.758 61.769 -4.011 19683
1833 1 12 . 1 1 14 14 CYS CB C 14 38.714 38.714 26.011 12.703 19683
1834 1 12 . 1 1 14 14 CYS H H 14 8.213 8.213 7.524 0.689 19683
1835 1 12 . 1 1 15 15 ALA N N 15 121.693 121.693 120.334 1.359 19683
1836 1 12 . 1 1 15 15 ALA HA H 15 3.766 3.766 4.011 -0.245 19683
1837 1 12 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.184 -0.135 19683
1838 1 12 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.518 -0.735 19683
1839 1 12 . 1 1 15 15 ALA H H 15 8.173 8.173 7.349 0.824 19683
1840 1 12 . 1 1 16 16 SER N N 16 111.866 111.866 113.281 -1.415 19683
1841 1 12 . 1 1 16 16 SER HA H 16 4.337 4.337 4.259 0.078 19683
1842 1 12 . 1 1 16 16 SER CA C 16 59.453 59.453 60.055 -0.602 19683
1843 1 12 . 1 1 16 16 SER CB C 16 63.733 63.733 63.637 0.096 19683
1844 1 12 . 1 1 16 16 SER H H 16 7.607 7.607 7.449 0.158 19683
1845 1 12 . 1 1 17 17 GLY N N 17 109.738 109.738 106.006 3.732 19683
1846 1 12 . 1 1 17 17 GLY CA C 17 45.606 45.606 45.286 0.320 19683
1847 1 12 . 1 1 17 17 GLY H H 17 7.841 7.841 8.479 -0.638 19683
1848 1 12 . 1 1 18 18 GLY N N 18 108.279 108.279 108.346 -0.067 19683
1849 1 12 . 1 1 18 18 GLY CA C 18 45.800 45.800 46.075 -0.275 19683
1850 1 12 . 1 1 18 18 GLY H H 18 8.158 8.158 7.700 0.458 19683
1851 1 12 . 1 1 19 19 THR N N 19 113.347 113.347 110.171 3.176 19683
1852 1 12 . 1 1 19 19 THR HA H 19 4.359 4.359 4.525 -0.166 19683
1853 1 12 . 1 1 19 19 THR CA C 19 62.334 62.334 59.762 2.572 19683
1854 1 12 . 1 1 19 19 THR CB C 19 69.872 69.872 71.057 -1.185 19683
1855 1 12 . 1 1 19 19 THR H H 19 8.064 8.064 7.789 0.275 19683
1856 1 12 . 1 1 20 20 ILE N N 20 122.333 122.333 120.074 2.259 19683
1857 1 12 . 1 1 20 20 ILE HA H 20 4.145 4.145 3.992 0.153 19683
1858 1 12 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.073 -1.164 19683
1859 1 12 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.950 0.378 19683
1860 1 12 . 1 1 20 20 ILE H H 20 8.061 8.061 8.352 -0.291 19683
1861 1 12 . 1 1 21 21 GLY N N 21 112.495 112.495 107.747 4.748 19683
1862 1 12 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.905 0.397 19683
1863 1 12 . 1 1 21 21 GLY H H 21 8.423 8.423 7.974 0.449 19683
1864 1 12 . 1 1 22 22 CYS N N 22 120.376 120.376 118.016 2.360 19683
1865 1 12 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.202 0.471 19683
1866 1 12 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.233 1.844 19683
1867 1 12 . 1 1 22 22 CYS CB C 22 33.832 33.832 26.102 7.730 19683
1868 1 12 . 1 1 22 22 CYS H H 22 8.284 8.284 7.550 0.734 19683
1869 1 12 . 1 1 23 23 GLY N N 23 112.782 112.782 116.628 -3.846 19683
1870 1 12 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.872 1.113 19683
1871 1 12 . 1 1 23 23 GLY H H 23 8.656 8.656 8.322 0.334 19683
1872 1 12 . 1 1 24 24 GLY N N 24 108.819 108.819 111.144 -2.325 19683
1873 1 12 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.241 0.237 19683
1874 1 12 . 1 1 24 24 GLY H H 24 8.371 8.371 8.512 -0.141 19683
1875 1 12 . 1 1 25 25 GLY N N 25 109.405 109.405 107.628 1.777 19683
1876 1 12 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.177 0.963 19683
1877 1 12 . 1 1 25 25 GLY H H 25 8.397 8.397 8.709 -0.312 19683
1878 1 12 . 1 1 26 26 ALA N N 26 123.138 123.138 123.682 -0.544 19683
1879 1 12 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.136 0.025 19683
1880 1 12 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.552 0.263 19683
1881 1 12 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.611 0.209 19683
1882 1 12 . 1 1 26 26 ALA H H 26 8.064 8.064 7.932 0.132 19683
1883 1 12 . 1 1 27 27 VAL N N 27 119.932 119.932 118.838 1.094 19683
1884 1 12 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.845 -0.070 19683
1885 1 12 . 1 1 27 27 VAL CA C 27 65.836 65.836 63.741 2.095 19683
1886 1 12 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.683 0.225 19683
1887 1 12 . 1 1 27 27 VAL H H 27 8.102 8.102 7.632 0.470 19683
1888 1 12 . 1 1 28 28 ALA N N 28 122.939 122.939 121.672 1.267 19683
1889 1 12 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.122 0.127 19683
1890 1 12 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.072 0.679 19683
1891 1 12 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.893 0.467 19683
1892 1 12 . 1 1 28 28 ALA H H 28 8.032 8.032 7.365 0.667 19683
1893 1 12 . 1 1 29 29 CYS N N 29 114.339 114.339 117.222 -2.883 19683
1894 1 12 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.230 0.222 19683
1895 1 12 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.378 -6.381 19683
1896 1 12 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.463 12.417 19683
1897 1 12 . 1 1 29 29 CYS H H 29 8.278 8.278 7.796 0.482 19683
1898 1 12 . 1 1 30 30 GLN N N 30 121.500 121.500 119.059 2.441 19683
1899 1 12 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.112 -0.026 19683
1900 1 12 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.435 0.768 19683
1901 1 12 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.727 0.506 19683
1902 1 12 . 1 1 30 30 GLN H H 30 8.118 8.118 8.019 0.099 19683
1903 1 12 . 1 1 31 31 ASN N N 31 119.134 119.134 119.062 0.072 19683
1904 1 12 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.360 0.172 19683
1905 1 12 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.612 2.805 19683
1906 1 12 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.607 -0.074 19683
1907 1 12 . 1 1 31 31 ASN H H 31 8.724 8.724 8.085 0.639 19683
1908 1 12 . 1 1 32 32 TYR N N 32 122.198 122.198 121.718 0.480 19683
1909 1 12 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.290 -0.395 19683
1910 1 12 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.127 0.857 19683
1911 1 12 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.531 0.112 19683
1912 1 12 . 1 1 32 32 TYR H H 32 8.869 8.869 7.822 1.047 19683
1913 1 12 . 1 1 33 33 ARG N N 33 117.088 117.088 118.944 -1.856 19683
1914 1 12 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.188 -0.284 19683
1915 1 12 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.881 0.418 19683
1916 1 12 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.877 0.258 19683
1917 1 12 . 1 1 33 33 ARG H H 33 8.068 8.068 7.937 0.131 19683
1918 1 12 . 1 1 34 34 GLN N N 34 115.563 115.563 117.994 -2.431 19683
1919 1 12 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.929 0.018 19683
1920 1 12 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.323 -0.081 19683
1921 1 12 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.643 0.684 19683
1922 1 12 . 1 1 34 34 GLN H H 34 7.705 7.705 7.508 0.197 19683
1923 1 12 . 1 1 35 35 PHE N N 35 113.257 113.257 117.397 -4.140 19683
1924 1 12 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.447 0.539 19683
1925 1 12 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.887 -1.612 19683
1926 1 12 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.351 1.073 19683
1927 1 12 . 1 1 35 35 PHE H H 35 7.993 7.993 7.951 0.042 19683
1928 1 12 . 1 1 36 36 CYS N N 36 117.360 117.360 119.209 -1.849 19683
1929 1 12 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.539 0.318 19683
1930 1 12 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.645 -1.819 19683
1931 1 12 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.162 16.903 19683
1932 1 12 . 1 1 36 36 CYS H H 36 8.095 8.095 8.229 -0.134 19683
1933 1 13 . 1 1 2 2 LEU N N 2 121.139 121.139 119.403 1.736 19683
1934 1 13 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.737 0.679 19683
1935 1 13 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.241 -0.240 19683
1936 1 13 . 1 1 2 2 LEU CB C 2 43.955 43.955 41.998 1.957 19683
1937 1 13 . 1 1 2 2 LEU H H 2 8.344 8.344 8.020 0.324 19683
1938 1 13 . 1 1 3 3 GLY N N 3 108.320 108.320 105.998 2.322 19683
1939 1 13 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.048 0.449 19683
1940 1 13 . 1 1 3 3 GLY H H 3 8.344 8.344 8.138 0.206 19683
1941 1 13 . 1 1 4 4 LYS N N 4 119.456 119.456 119.410 0.046 19683
1942 1 13 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.285 -0.296 19683
1943 1 13 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.561 -2.780 19683
1944 1 13 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.317 8.808 19683
1945 1 13 . 1 1 4 4 LYS H H 4 8.494 8.494 8.523 -0.029 19683
1946 1 13 . 1 1 5 5 ALA N N 5 121.755 121.755 125.875 -4.120 19683
1947 1 13 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.971 0.293 19683
1948 1 13 . 1 1 5 5 ALA CA C 5 55.360 55.360 53.953 1.407 19683
1949 1 13 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.123 1.049 19683
1950 1 13 . 1 1 5 5 ALA H H 5 8.748 8.748 8.874 -0.126 19683
1951 1 13 . 1 1 6 6 GLN N N 6 119.671 119.671 119.185 0.486 19683
1952 1 13 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.128 0.089 19683
1953 1 13 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.735 0.574 19683
1954 1 13 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.775 -0.256 19683
1955 1 13 . 1 1 6 6 GLN H H 6 8.148 8.148 7.861 0.287 19683
1956 1 13 . 1 1 7 7 CYS N N 7 119.391 119.391 118.569 0.822 19683
1957 1 13 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.277 0.359 19683
1958 1 13 . 1 1 7 7 CYS CA C 7 60.891 60.891 63.134 -2.243 19683
1959 1 13 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.257 14.487 19683
1960 1 13 . 1 1 7 7 CYS H H 7 8.623 8.623 8.205 0.418 19683
1961 1 13 . 1 1 8 8 ALA N N 8 124.035 124.035 121.591 2.444 19683
1962 1 13 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.307 0.097 19683
1963 1 13 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.395 0.193 19683
1964 1 13 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.268 -0.519 19683
1965 1 13 . 1 1 8 8 ALA H H 8 8.498 8.498 8.443 0.055 19683
1966 1 13 . 1 1 9 9 ALA N N 9 120.921 120.921 121.180 -0.259 19683
1967 1 13 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.101 0.176 19683
1968 1 13 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.873 0.479 19683
1969 1 13 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.232 -0.213 19683
1970 1 13 . 1 1 9 9 ALA H H 9 7.724 7.724 8.287 -0.563 19683
1971 1 13 . 1 1 10 10 LEU N N 10 119.961 119.961 120.324 -0.363 19683
1972 1 13 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.178 0.066 19683
1973 1 13 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.899 -0.147 19683
1974 1 13 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.898 1.721 19683
1975 1 13 . 1 1 10 10 LEU H H 10 8.184 8.184 7.648 0.536 19683
1976 1 13 . 1 1 11 11 TRP N N 11 120.212 120.212 119.465 0.747 19683
1977 1 13 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.410 -0.709 19683
1978 1 13 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.598 0.957 19683
1979 1 13 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.455 -1.323 19683
1980 1 13 . 1 1 11 11 TRP H H 11 8.788 8.788 7.849 0.939 19683
1981 1 13 . 1 1 12 12 LEU N N 12 117.556 117.556 119.995 -2.439 19683
1982 1 13 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.142 0.661 19683
1983 1 13 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.720 0.321 19683
1984 1 13 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.851 -0.032 19683
1985 1 13 . 1 1 12 12 LEU H H 12 7.733 7.733 8.333 -0.600 19683
1986 1 13 . 1 1 13 13 GLN N N 13 118.567 118.567 118.478 0.089 19683
1987 1 13 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.959 -0.012 19683
1988 1 13 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.744 -0.056 19683
1989 1 13 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.106 0.910 19683
1990 1 13 . 1 1 13 13 GLN H H 13 7.738 7.738 8.516 -0.778 19683
1991 1 13 . 1 1 14 14 CYS N N 14 118.351 118.351 116.891 1.460 19683
1992 1 13 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.345 -0.010 19683
1993 1 13 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.886 -2.128 19683
1994 1 13 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.172 13.542 19683
1995 1 13 . 1 1 14 14 CYS H H 14 8.213 8.213 7.576 0.637 19683
1996 1 13 . 1 1 15 15 ALA N N 15 121.693 121.693 122.774 -1.081 19683
1997 1 13 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.904 -0.138 19683
1998 1 13 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.335 -0.286 19683
1999 1 13 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.546 -0.763 19683
2000 1 13 . 1 1 15 15 ALA H H 15 8.173 8.173 7.631 0.542 19683
2001 1 13 . 1 1 16 16 SER N N 16 111.866 111.866 112.331 -0.465 19683
2002 1 13 . 1 1 16 16 SER HA H 16 4.337 4.337 4.482 -0.145 19683
2003 1 13 . 1 1 16 16 SER CA C 16 59.453 59.453 59.006 0.447 19683
2004 1 13 . 1 1 16 16 SER CB C 16 63.733 63.733 64.454 -0.721 19683
2005 1 13 . 1 1 16 16 SER H H 16 7.607 7.607 7.908 -0.301 19683
2006 1 13 . 1 1 17 17 GLY N N 17 109.738 109.738 109.506 0.232 19683
2007 1 13 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.811 0.795 19683
2008 1 13 . 1 1 17 17 GLY H H 17 7.841 7.841 7.664 0.177 19683
2009 1 13 . 1 1 18 18 GLY N N 18 108.279 108.279 106.486 1.793 19683
2010 1 13 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.453 1.347 19683
2011 1 13 . 1 1 18 18 GLY H H 18 8.158 8.158 7.637 0.521 19683
2012 1 13 . 1 1 19 19 THR N N 19 113.347 113.347 109.878 3.469 19683
2013 1 13 . 1 1 19 19 THR HA H 19 4.359 4.359 4.693 -0.334 19683
2014 1 13 . 1 1 19 19 THR CA C 19 62.334 62.334 60.209 2.125 19683
2015 1 13 . 1 1 19 19 THR CB C 19 69.872 69.872 71.628 -1.756 19683
2016 1 13 . 1 1 19 19 THR H H 19 8.064 8.064 7.839 0.225 19683
2017 1 13 . 1 1 20 20 ILE N N 20 122.333 122.333 119.807 2.526 19683
2018 1 13 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.183 -0.037 19683
2019 1 13 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.208 -0.299 19683
2020 1 13 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.061 0.267 19683
2021 1 13 . 1 1 20 20 ILE H H 20 8.061 8.061 8.646 -0.585 19683
2022 1 13 . 1 1 21 21 GLY N N 21 112.495 112.495 105.808 6.687 19683
2023 1 13 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.869 0.433 19683
2024 1 13 . 1 1 21 21 GLY H H 21 8.423 8.423 7.489 0.934 19683
2025 1 13 . 1 1 22 22 CYS N N 22 120.376 120.376 118.075 2.301 19683
2026 1 13 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.188 0.485 19683
2027 1 13 . 1 1 22 22 CYS CA C 22 61.077 61.077 58.184 2.893 19683
2028 1 13 . 1 1 22 22 CYS CB C 22 33.832 33.832 28.413 5.418 19683
2029 1 13 . 1 1 22 22 CYS H H 22 8.284 8.284 8.424 -0.140 19683
2030 1 13 . 1 1 23 23 GLY N N 23 112.782 112.782 108.270 4.512 19683
2031 1 13 . 1 1 23 23 GLY CA C 23 45.985 45.985 46.555 -0.570 19683
2032 1 13 . 1 1 23 23 GLY H H 23 8.656 8.656 8.752 -0.096 19683
2033 1 13 . 1 1 24 24 GLY N N 24 108.819 108.819 109.587 -0.768 19683
2034 1 13 . 1 1 24 24 GLY CA C 24 45.478 45.478 46.129 -0.651 19683
2035 1 13 . 1 1 24 24 GLY H H 24 8.371 8.371 8.224 0.147 19683
2036 1 13 . 1 1 25 25 GLY N N 25 109.405 109.405 112.138 -2.733 19683
2037 1 13 . 1 1 25 25 GLY CA C 25 46.140 46.140 46.486 -0.346 19683
2038 1 13 . 1 1 25 25 GLY H H 25 8.397 8.397 8.639 -0.242 19683
2039 1 13 . 1 1 26 26 ALA N N 26 123.138 123.138 124.884 -1.746 19683
2040 1 13 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.123 0.038 19683
2041 1 13 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.541 0.274 19683
2042 1 13 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.892 -0.072 19683
2043 1 13 . 1 1 26 26 ALA H H 26 8.064 8.064 8.396 -0.332 19683
2044 1 13 . 1 1 27 27 VAL N N 27 119.932 119.932 119.849 0.083 19683
2045 1 13 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.842 -0.067 19683
2046 1 13 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.400 1.435 19683
2047 1 13 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.515 0.393 19683
2048 1 13 . 1 1 27 27 VAL H H 27 8.102 8.102 7.513 0.589 19683
2049 1 13 . 1 1 28 28 ALA N N 28 122.939 122.939 121.868 1.071 19683
2050 1 13 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.097 0.152 19683
2051 1 13 . 1 1 28 28 ALA CA C 28 55.751 55.751 54.958 0.793 19683
2052 1 13 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.726 0.634 19683
2053 1 13 . 1 1 28 28 ALA H H 28 8.032 8.032 8.237 -0.205 19683
2054 1 13 . 1 1 29 29 CYS N N 29 114.339 114.339 117.012 -2.673 19683
2055 1 13 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.274 0.178 19683
2056 1 13 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.033 -6.037 19683
2057 1 13 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.423 12.457 19683
2058 1 13 . 1 1 29 29 CYS H H 29 8.278 8.278 7.827 0.451 19683
2059 1 13 . 1 1 30 30 GLN N N 30 121.500 121.500 120.550 0.950 19683
2060 1 13 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.112 -0.026 19683
2061 1 13 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.420 0.782 19683
2062 1 13 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.504 0.729 19683
2063 1 13 . 1 1 30 30 GLN H H 30 8.118 8.118 8.133 -0.015 19683
2064 1 13 . 1 1 31 31 ASN N N 31 119.134 119.134 119.131 0.003 19683
2065 1 13 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.279 0.253 19683
2066 1 13 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.605 2.812 19683
2067 1 13 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.545 -0.012 19683
2068 1 13 . 1 1 31 31 ASN H H 31 8.724 8.724 8.121 0.603 19683
2069 1 13 . 1 1 32 32 TYR N N 32 122.198 122.198 121.759 0.439 19683
2070 1 13 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.302 -0.407 19683
2071 1 13 . 1 1 32 32 TYR CA C 32 62.984 62.984 61.923 1.061 19683
2072 1 13 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.545 0.098 19683
2073 1 13 . 1 1 32 32 TYR H H 32 8.869 8.869 7.773 1.096 19683
2074 1 13 . 1 1 33 33 ARG N N 33 117.088 117.088 119.430 -2.342 19683
2075 1 13 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.185 -0.281 19683
2076 1 13 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.534 0.765 19683
2077 1 13 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.457 0.678 19683
2078 1 13 . 1 1 33 33 ARG H H 33 8.068 8.068 8.038 0.030 19683
2079 1 13 . 1 1 34 34 GLN N N 34 115.563 115.563 117.803 -2.240 19683
2080 1 13 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.942 0.005 19683
2081 1 13 . 1 1 34 34 GLN CA C 34 58.242 58.242 57.936 0.306 19683
2082 1 13 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.217 1.110 19683
2083 1 13 . 1 1 34 34 GLN H H 34 7.705 7.705 7.607 0.098 19683
2084 1 13 . 1 1 35 35 PHE N N 35 113.257 113.257 117.401 -4.144 19683
2085 1 13 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.427 0.559 19683
2086 1 13 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.714 -1.438 19683
2087 1 13 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.056 1.367 19683
2088 1 13 . 1 1 35 35 PHE H H 35 7.993 7.993 7.862 0.131 19683
2089 1 13 . 1 1 36 36 CYS N N 36 117.360 117.360 119.762 -2.402 19683
2090 1 13 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.433 0.424 19683
2091 1 13 . 1 1 36 36 CYS CA C 36 55.826 55.826 58.105 -2.280 19683
2092 1 13 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.433 17.632 19683
2093 1 13 . 1 1 36 36 CYS H H 36 8.095 8.095 8.406 -0.311 19683
2094 1 14 . 1 1 2 2 LEU N N 2 121.139 121.139 118.149 2.990 19683
2095 1 14 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.884 0.532 19683
2096 1 14 . 1 1 2 2 LEU CA C 2 55.001 55.001 54.874 0.127 19683
2097 1 14 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.821 3.134 19683
2098 1 14 . 1 1 2 2 LEU H H 2 8.344 8.344 8.489 -0.145 19683
2099 1 14 . 1 1 3 3 GLY N N 3 108.320 108.320 105.426 2.894 19683
2100 1 14 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.980 0.517 19683
2101 1 14 . 1 1 3 3 GLY H H 3 8.344 8.344 7.816 0.528 19683
2102 1 14 . 1 1 4 4 LYS N N 4 119.456 119.456 120.477 -1.021 19683
2103 1 14 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.150 -0.162 19683
2104 1 14 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.438 -2.657 19683
2105 1 14 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.128 8.997 19683
2106 1 14 . 1 1 4 4 LYS H H 4 8.494 8.494 8.274 0.220 19683
2107 1 14 . 1 1 5 5 ALA N N 5 121.755 121.755 126.644 -4.889 19683
2108 1 14 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.976 0.288 19683
2109 1 14 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.091 1.269 19683
2110 1 14 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.208 0.964 19683
2111 1 14 . 1 1 5 5 ALA H H 5 8.748 8.748 8.938 -0.190 19683
2112 1 14 . 1 1 6 6 GLN N N 6 119.671 119.671 118.332 1.339 19683
2113 1 14 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.105 0.112 19683
2114 1 14 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.677 0.632 19683
2115 1 14 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.785 -0.266 19683
2116 1 14 . 1 1 6 6 GLN H H 6 8.148 8.148 7.828 0.320 19683
2117 1 14 . 1 1 7 7 CYS N N 7 119.391 119.391 118.827 0.564 19683
2118 1 14 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.229 0.407 19683
2119 1 14 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.853 -1.962 19683
2120 1 14 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.225 14.519 19683
2121 1 14 . 1 1 7 7 CYS H H 7 8.623 8.623 8.116 0.507 19683
2122 1 14 . 1 1 8 8 ALA N N 8 124.035 124.035 121.585 2.450 19683
2123 1 14 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.251 0.153 19683
2124 1 14 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.333 0.256 19683
2125 1 14 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.280 -0.531 19683
2126 1 14 . 1 1 8 8 ALA H H 8 8.498 8.498 8.459 0.039 19683
2127 1 14 . 1 1 9 9 ALA N N 9 120.921 120.921 121.281 -0.360 19683
2128 1 14 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.110 0.167 19683
2129 1 14 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.815 0.537 19683
2130 1 14 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.251 -0.232 19683
2131 1 14 . 1 1 9 9 ALA H H 9 7.724 7.724 8.278 -0.554 19683
2132 1 14 . 1 1 10 10 LEU N N 10 119.961 119.961 120.531 -0.570 19683
2133 1 14 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.142 0.102 19683
2134 1 14 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.001 -0.249 19683
2135 1 14 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.846 1.772 19683
2136 1 14 . 1 1 10 10 LEU H H 10 8.184 8.184 7.851 0.333 19683
2137 1 14 . 1 1 11 11 TRP N N 11 120.212 120.212 118.785 1.427 19683
2138 1 14 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.457 -0.756 19683
2139 1 14 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.360 1.195 19683
2140 1 14 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.007 -0.875 19683
2141 1 14 . 1 1 11 11 TRP H H 11 8.788 8.788 7.722 1.066 19683
2142 1 14 . 1 1 12 12 LEU N N 12 117.556 117.556 120.631 -3.075 19683
2143 1 14 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.176 0.627 19683
2144 1 14 . 1 1 12 12 LEU CA C 12 58.041 58.041 56.776 1.265 19683
2145 1 14 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.521 0.298 19683
2146 1 14 . 1 1 12 12 LEU H H 12 7.733 7.733 8.028 -0.295 19683
2147 1 14 . 1 1 13 13 GLN N N 13 118.567 118.567 118.872 -0.305 19683
2148 1 14 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.886 0.061 19683
2149 1 14 . 1 1 13 13 GLN CA C 13 58.688 58.688 59.101 -0.413 19683
2150 1 14 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.384 0.631 19683
2151 1 14 . 1 1 13 13 GLN H H 13 7.738 7.738 8.783 -1.045 19683
2152 1 14 . 1 1 14 14 CYS N N 14 118.351 118.351 116.894 1.457 19683
2153 1 14 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.342 -0.007 19683
2154 1 14 . 1 1 14 14 CYS CA C 14 57.758 57.758 59.865 -2.107 19683
2155 1 14 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.001 13.713 19683
2156 1 14 . 1 1 14 14 CYS H H 14 8.213 8.213 7.592 0.621 19683
2157 1 14 . 1 1 15 15 ALA N N 15 121.693 121.693 122.801 -1.108 19683
2158 1 14 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.937 -0.171 19683
2159 1 14 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.394 -0.345 19683
2160 1 14 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.663 -0.880 19683
2161 1 14 . 1 1 15 15 ALA H H 15 8.173 8.173 7.607 0.566 19683
2162 1 14 . 1 1 16 16 SER N N 16 111.866 111.866 112.223 -0.357 19683
2163 1 14 . 1 1 16 16 SER HA H 16 4.337 4.337 4.509 -0.172 19683
2164 1 14 . 1 1 16 16 SER CA C 16 59.453 59.453 58.285 1.168 19683
2165 1 14 . 1 1 16 16 SER CB C 16 63.733 63.733 64.475 -0.742 19683
2166 1 14 . 1 1 16 16 SER H H 16 7.607 7.607 7.956 -0.349 19683
2167 1 14 . 1 1 17 17 GLY N N 17 109.738 109.738 109.539 0.199 19683
2168 1 14 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.565 1.041 19683
2169 1 14 . 1 1 17 17 GLY H H 17 7.841 7.841 7.657 0.184 19683
2170 1 14 . 1 1 18 18 GLY N N 18 108.279 108.279 107.747 0.532 19683
2171 1 14 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.233 1.567 19683
2172 1 14 . 1 1 18 18 GLY H H 18 8.158 8.158 8.008 0.150 19683
2173 1 14 . 1 1 19 19 THR N N 19 113.347 113.347 113.688 -0.341 19683
2174 1 14 . 1 1 19 19 THR HA H 19 4.359 4.359 4.532 -0.173 19683
2175 1 14 . 1 1 19 19 THR CA C 19 62.334 62.334 60.572 1.762 19683
2176 1 14 . 1 1 19 19 THR CB C 19 69.872 69.872 71.398 -1.526 19683
2177 1 14 . 1 1 19 19 THR H H 19 8.064 8.064 7.813 0.251 19683
2178 1 14 . 1 1 20 20 ILE N N 20 122.333 122.333 123.942 -1.609 19683
2179 1 14 . 1 1 20 20 ILE HA H 20 4.145 4.145 3.995 0.150 19683
2180 1 14 . 1 1 20 20 ILE CA C 20 61.909 61.909 63.159 -1.250 19683
2181 1 14 . 1 1 20 20 ILE CB C 20 38.328 38.328 38.121 0.207 19683
2182 1 14 . 1 1 20 20 ILE H H 20 8.061 8.061 8.773 -0.712 19683
2183 1 14 . 1 1 21 21 GLY N N 21 112.495 112.495 106.304 6.191 19683
2184 1 14 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.598 0.704 19683
2185 1 14 . 1 1 21 21 GLY H H 21 8.423 8.423 8.058 0.365 19683
2186 1 14 . 1 1 22 22 CYS N N 22 120.376 120.376 118.374 2.002 19683
2187 1 14 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.132 0.541 19683
2188 1 14 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.288 1.789 19683
2189 1 14 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.255 8.577 19683
2190 1 14 . 1 1 22 22 CYS H H 22 8.284 8.284 7.282 1.002 19683
2191 1 14 . 1 1 23 23 GLY N N 23 112.782 112.782 115.515 -2.733 19683
2192 1 14 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.948 1.037 19683
2193 1 14 . 1 1 23 23 GLY H H 23 8.656 8.656 8.307 0.349 19683
2194 1 14 . 1 1 24 24 GLY N N 24 108.819 108.819 111.707 -2.888 19683
2195 1 14 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.159 0.319 19683
2196 1 14 . 1 1 24 24 GLY H H 24 8.371 8.371 8.420 -0.049 19683
2197 1 14 . 1 1 25 25 GLY N N 25 109.405 109.405 107.393 2.012 19683
2198 1 14 . 1 1 25 25 GLY CA C 25 46.140 46.140 46.020 0.120 19683
2199 1 14 . 1 1 25 25 GLY H H 25 8.397 8.397 8.616 -0.219 19683
2200 1 14 . 1 1 26 26 ALA N N 26 123.138 123.138 123.449 -0.311 19683
2201 1 14 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.084 0.077 19683
2202 1 14 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.340 0.475 19683
2203 1 14 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.412 0.408 19683
2204 1 14 . 1 1 26 26 ALA H H 26 8.064 8.064 7.792 0.272 19683
2205 1 14 . 1 1 27 27 VAL N N 27 119.932 119.932 118.880 1.052 19683
2206 1 14 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.843 -0.068 19683
2207 1 14 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.090 1.746 19683
2208 1 14 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.843 0.065 19683
2209 1 14 . 1 1 27 27 VAL H H 27 8.102 8.102 7.629 0.473 19683
2210 1 14 . 1 1 28 28 ALA N N 28 122.939 122.939 121.914 1.025 19683
2211 1 14 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.080 0.169 19683
2212 1 14 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.084 0.667 19683
2213 1 14 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.818 0.542 19683
2214 1 14 . 1 1 28 28 ALA H H 28 8.032 8.032 7.969 0.063 19683
2215 1 14 . 1 1 29 29 CYS N N 29 114.339 114.339 117.143 -2.804 19683
2216 1 14 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.223 0.229 19683
2217 1 14 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.269 -6.272 19683
2218 1 14 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.597 12.283 19683
2219 1 14 . 1 1 29 29 CYS H H 29 8.278 8.278 7.770 0.508 19683
2220 1 14 . 1 1 30 30 GLN N N 30 121.500 121.500 119.119 2.381 19683
2221 1 14 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.105 -0.019 19683
2222 1 14 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.448 0.755 19683
2223 1 14 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.708 0.525 19683
2224 1 14 . 1 1 30 30 GLN H H 30 8.118 8.118 8.079 0.039 19683
2225 1 14 . 1 1 31 31 ASN N N 31 119.134 119.134 119.087 0.047 19683
2226 1 14 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.348 0.184 19683
2227 1 14 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.627 2.790 19683
2228 1 14 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.598 -0.065 19683
2229 1 14 . 1 1 31 31 ASN H H 31 8.724 8.724 8.076 0.648 19683
2230 1 14 . 1 1 32 32 TYR N N 32 122.198 122.198 121.717 0.481 19683
2231 1 14 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.289 -0.394 19683
2232 1 14 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.158 0.826 19683
2233 1 14 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.508 0.135 19683
2234 1 14 . 1 1 32 32 TYR H H 32 8.869 8.869 7.842 1.027 19683
2235 1 14 . 1 1 33 33 ARG N N 33 117.088 117.088 119.053 -1.965 19683
2236 1 14 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.149 -0.245 19683
2237 1 14 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.963 0.336 19683
2238 1 14 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.805 0.330 19683
2239 1 14 . 1 1 33 33 ARG H H 33 8.068 8.068 7.995 0.073 19683
2240 1 14 . 1 1 34 34 GLN N N 34 115.563 115.563 117.928 -2.365 19683
2241 1 14 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.925 0.022 19683
2242 1 14 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.358 -0.116 19683
2243 1 14 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.648 0.679 19683
2244 1 14 . 1 1 34 34 GLN H H 34 7.705 7.705 7.562 0.143 19683
2245 1 14 . 1 1 35 35 PHE N N 35 113.257 113.257 117.161 -3.904 19683
2246 1 14 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.448 0.538 19683
2247 1 14 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.864 -1.589 19683
2248 1 14 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.402 1.022 19683
2249 1 14 . 1 1 35 35 PHE H H 35 7.993 7.993 7.879 0.114 19683
2250 1 14 . 1 1 36 36 CYS N N 36 117.360 117.360 119.425 -2.065 19683
2251 1 14 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.589 0.268 19683
2252 1 14 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.080 -1.254 19683
2253 1 14 . 1 1 36 36 CYS CB C 36 43.065 43.065 26.168 16.897 19683
2254 1 14 . 1 1 36 36 CYS H H 36 8.095 8.095 8.322 -0.227 19683
2255 1 15 . 1 1 2 2 LEU N N 2 121.139 121.139 120.312 0.827 19683
2256 1 15 . 1 1 2 2 LEU HA H 2 4.416 4.416 4.002 0.414 19683
2257 1 15 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.001 0.000 19683
2258 1 15 . 1 1 2 2 LEU CB C 2 43.955 43.955 41.373 2.582 19683
2259 1 15 . 1 1 2 2 LEU H H 2 8.344 8.344 7.826 0.518 19683
2260 1 15 . 1 1 3 3 GLY N N 3 108.320 108.320 111.276 -2.956 19683
2261 1 15 . 1 1 3 3 GLY CA C 3 44.497 44.497 44.386 0.111 19683
2262 1 15 . 1 1 3 3 GLY H H 3 8.344 8.344 7.919 0.425 19683
2263 1 15 . 1 1 4 4 LYS N N 4 119.456 119.456 118.589 0.867 19683
2264 1 15 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.256 -0.268 19683
2265 1 15 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.663 -2.882 19683
2266 1 15 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.382 8.743 19683
2267 1 15 . 1 1 4 4 LYS H H 4 8.494 8.494 8.494 -0.000 19683
2268 1 15 . 1 1 5 5 ALA N N 5 121.755 121.755 126.561 -4.806 19683
2269 1 15 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.982 0.282 19683
2270 1 15 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.062 1.298 19683
2271 1 15 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.249 0.923 19683
2272 1 15 . 1 1 5 5 ALA H H 5 8.748 8.748 8.933 -0.185 19683
2273 1 15 . 1 1 6 6 GLN N N 6 119.671 119.671 118.434 1.237 19683
2274 1 15 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.092 0.125 19683
2275 1 15 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.698 0.611 19683
2276 1 15 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.826 -0.307 19683
2277 1 15 . 1 1 6 6 GLN H H 6 8.148 8.148 7.812 0.336 19683
2278 1 15 . 1 1 7 7 CYS N N 7 119.391 119.391 118.568 0.823 19683
2279 1 15 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.258 0.378 19683
2280 1 15 . 1 1 7 7 CYS CA C 7 60.891 60.891 63.510 -2.619 19683
2281 1 15 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.265 14.479 19683
2282 1 15 . 1 1 7 7 CYS H H 7 8.623 8.623 8.207 0.416 19683
2283 1 15 . 1 1 8 8 ALA N N 8 124.035 124.035 121.618 2.417 19683
2284 1 15 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.251 0.153 19683
2285 1 15 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.451 0.137 19683
2286 1 15 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.236 -0.487 19683
2287 1 15 . 1 1 8 8 ALA H H 8 8.498 8.498 8.473 0.025 19683
2288 1 15 . 1 1 9 9 ALA N N 9 120.921 120.921 121.097 -0.176 19683
2289 1 15 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.098 0.179 19683
2290 1 15 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.816 0.536 19683
2291 1 15 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.248 -0.229 19683
2292 1 15 . 1 1 9 9 ALA H H 9 7.724 7.724 8.139 -0.415 19683
2293 1 15 . 1 1 10 10 LEU N N 10 119.961 119.961 120.563 -0.602 19683
2294 1 15 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.152 0.092 19683
2295 1 15 . 1 1 10 10 LEU CA C 10 57.752 57.752 57.967 -0.215 19683
2296 1 15 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.891 1.728 19683
2297 1 15 . 1 1 10 10 LEU H H 10 8.184 8.184 7.796 0.388 19683
2298 1 15 . 1 1 11 11 TRP N N 11 120.212 120.212 119.514 0.698 19683
2299 1 15 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.396 -0.695 19683
2300 1 15 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.741 0.814 19683
2301 1 15 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.378 -1.246 19683
2302 1 15 . 1 1 11 11 TRP H H 11 8.788 8.788 8.064 0.724 19683
2303 1 15 . 1 1 12 12 LEU N N 12 117.556 117.556 119.876 -2.320 19683
2304 1 15 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.015 0.788 19683
2305 1 15 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.597 0.444 19683
2306 1 15 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.837 -0.018 19683
2307 1 15 . 1 1 12 12 LEU H H 12 7.733 7.733 8.288 -0.555 19683
2308 1 15 . 1 1 13 13 GLN N N 13 118.567 118.567 118.608 -0.041 19683
2309 1 15 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.864 0.083 19683
2310 1 15 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.946 -0.258 19683
2311 1 15 . 1 1 13 13 GLN CB C 13 29.016 29.016 27.851 1.165 19683
2312 1 15 . 1 1 13 13 GLN H H 13 7.738 7.738 8.649 -0.911 19683
2313 1 15 . 1 1 14 14 CYS N N 14 118.351 118.351 116.931 1.420 19683
2314 1 15 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.150 0.185 19683
2315 1 15 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.311 -2.553 19683
2316 1 15 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.498 13.216 19683
2317 1 15 . 1 1 14 14 CYS H H 14 8.213 8.213 7.490 0.723 19683
2318 1 15 . 1 1 15 15 ALA N N 15 121.693 121.693 121.839 -0.146 19683
2319 1 15 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.940 -0.174 19683
2320 1 15 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.168 -0.119 19683
2321 1 15 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.690 -0.907 19683
2322 1 15 . 1 1 15 15 ALA H H 15 8.173 8.173 7.610 0.563 19683
2323 1 15 . 1 1 16 16 SER N N 16 111.866 111.866 112.024 -0.158 19683
2324 1 15 . 1 1 16 16 SER HA H 16 4.337 4.337 4.492 -0.155 19683
2325 1 15 . 1 1 16 16 SER CA C 16 59.453 59.453 59.048 0.405 19683
2326 1 15 . 1 1 16 16 SER CB C 16 63.733 63.733 65.141 -1.408 19683
2327 1 15 . 1 1 16 16 SER H H 16 7.607 7.607 7.937 -0.330 19683
2328 1 15 . 1 1 17 17 GLY N N 17 109.738 109.738 109.966 -0.228 19683
2329 1 15 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.996 0.610 19683
2330 1 15 . 1 1 17 17 GLY H H 17 7.841 7.841 8.316 -0.475 19683
2331 1 15 . 1 1 18 18 GLY N N 18 108.279 108.279 108.303 -0.024 19683
2332 1 15 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.311 1.489 19683
2333 1 15 . 1 1 18 18 GLY H H 18 8.158 8.158 7.595 0.563 19683
2334 1 15 . 1 1 19 19 THR N N 19 113.347 113.347 112.624 0.723 19683
2335 1 15 . 1 1 19 19 THR HA H 19 4.359 4.359 4.351 0.008 19683
2336 1 15 . 1 1 19 19 THR CA C 19 62.334 62.334 60.383 1.951 19683
2337 1 15 . 1 1 19 19 THR CB C 19 69.872 69.872 70.393 -0.521 19683
2338 1 15 . 1 1 19 19 THR H H 19 8.064 8.064 7.304 0.760 19683
2339 1 15 . 1 1 20 20 ILE N N 20 122.333 122.333 120.258 2.075 19683
2340 1 15 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.055 0.090 19683
2341 1 15 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.739 -0.830 19683
2342 1 15 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.569 0.759 19683
2343 1 15 . 1 1 20 20 ILE H H 20 8.061 8.061 8.654 -0.593 19683
2344 1 15 . 1 1 21 21 GLY N N 21 112.495 112.495 108.415 4.080 19683
2345 1 15 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.983 0.319 19683
2346 1 15 . 1 1 21 21 GLY H H 21 8.423 8.423 7.844 0.579 19683
2347 1 15 . 1 1 22 22 CYS N N 22 120.376 120.376 118.745 1.631 19683
2348 1 15 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.162 0.511 19683
2349 1 15 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.371 1.706 19683
2350 1 15 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.381 8.451 19683
2351 1 15 . 1 1 22 22 CYS H H 22 8.284 8.284 7.645 0.639 19683
2352 1 15 . 1 1 23 23 GLY N N 23 112.782 112.782 114.820 -2.038 19683
2353 1 15 . 1 1 23 23 GLY CA C 23 45.985 45.985 44.961 1.024 19683
2354 1 15 . 1 1 23 23 GLY H H 23 8.656 8.656 8.360 0.296 19683
2355 1 15 . 1 1 24 24 GLY N N 24 108.819 108.819 111.149 -2.330 19683
2356 1 15 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.081 0.397 19683
2357 1 15 . 1 1 24 24 GLY H H 24 8.371 8.371 8.365 0.006 19683
2358 1 15 . 1 1 25 25 GLY N N 25 109.405 109.405 108.001 1.404 19683
2359 1 15 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.655 0.485 19683
2360 1 15 . 1 1 25 25 GLY H H 25 8.397 8.397 8.688 -0.291 19683
2361 1 15 . 1 1 26 26 ALA N N 26 123.138 123.138 124.357 -1.219 19683
2362 1 15 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.153 0.008 19683
2363 1 15 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.594 0.221 19683
2364 1 15 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.792 0.028 19683
2365 1 15 . 1 1 26 26 ALA H H 26 8.064 8.064 7.941 0.123 19683
2366 1 15 . 1 1 27 27 VAL N N 27 119.932 119.932 116.089 3.843 19683
2367 1 15 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.823 -0.048 19683
2368 1 15 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.869 0.967 19683
2369 1 15 . 1 1 27 27 VAL CB C 27 31.908 31.908 30.354 1.554 19683
2370 1 15 . 1 1 27 27 VAL H H 27 8.102 8.102 7.841 0.261 19683
2371 1 15 . 1 1 28 28 ALA N N 28 122.939 122.939 122.664 0.275 19683
2372 1 15 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.062 0.187 19683
2373 1 15 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.206 0.545 19683
2374 1 15 . 1 1 28 28 ALA CB C 28 18.360 18.360 18.071 0.289 19683
2375 1 15 . 1 1 28 28 ALA H H 28 8.032 8.032 8.016 0.016 19683
2376 1 15 . 1 1 29 29 CYS N N 29 114.339 114.339 117.517 -3.178 19683
2377 1 15 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.247 0.205 19683
2378 1 15 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.527 -6.530 19683
2379 1 15 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.155 12.725 19683
2380 1 15 . 1 1 29 29 CYS H H 29 8.278 8.278 7.809 0.469 19683
2381 1 15 . 1 1 30 30 GLN N N 30 121.500 121.500 119.803 1.697 19683
2382 1 15 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.069 0.017 19683
2383 1 15 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.679 0.524 19683
2384 1 15 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.917 0.316 19683
2385 1 15 . 1 1 30 30 GLN H H 30 8.118 8.118 8.055 0.063 19683
2386 1 15 . 1 1 31 31 ASN N N 31 119.134 119.134 119.453 -0.319 19683
2387 1 15 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.426 0.106 19683
2388 1 15 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.708 2.709 19683
2389 1 15 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.580 -0.047 19683
2390 1 15 . 1 1 31 31 ASN H H 31 8.724 8.724 7.870 0.854 19683
2391 1 15 . 1 1 32 32 TYR N N 32 122.198 122.198 121.549 0.649 19683
2392 1 15 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.324 -0.429 19683
2393 1 15 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.145 0.839 19683
2394 1 15 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.452 0.191 19683
2395 1 15 . 1 1 32 32 TYR H H 32 8.869 8.869 8.033 0.836 19683
2396 1 15 . 1 1 33 33 ARG N N 33 117.088 117.088 118.854 -1.766 19683
2397 1 15 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.199 -0.295 19683
2398 1 15 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.935 0.364 19683
2399 1 15 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.812 0.323 19683
2400 1 15 . 1 1 33 33 ARG H H 33 8.068 8.068 7.885 0.183 19683
2401 1 15 . 1 1 34 34 GLN N N 34 115.563 115.563 117.948 -2.385 19683
2402 1 15 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.950 -0.003 19683
2403 1 15 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.204 0.038 19683
2404 1 15 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.707 0.620 19683
2405 1 15 . 1 1 34 34 GLN H H 34 7.705 7.705 7.486 0.219 19683
2406 1 15 . 1 1 35 35 PHE N N 35 113.257 113.257 117.462 -4.205 19683
2407 1 15 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.448 0.538 19683
2408 1 15 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.922 -1.647 19683
2409 1 15 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.435 0.989 19683
2410 1 15 . 1 1 35 35 PHE H H 35 7.993 7.993 7.879 0.114 19683
2411 1 15 . 1 1 36 36 CYS N N 36 117.360 117.360 119.231 -1.871 19683
2412 1 15 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.432 0.425 19683
2413 1 15 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.862 -2.036 19683
2414 1 15 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.547 17.518 19683
2415 1 15 . 1 1 36 36 CYS H H 36 8.095 8.095 8.240 -0.145 19683
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 35 2.135 0.261 2.150 19683
2 1 1 "Average Difference" HA 42 0.306 -0.133 0.278 19683
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19683
4 1 1 "Average Difference" CA 35 1.678 -0.136 1.697 19683
5 1 1 "Average Difference" CB 28 6.014 -2.949 5.337 19683
6 1 1 "Average Difference" HN 35 0.511 -0.176 0.487 19683
7 1 2 "Average Difference" N 35 2.167 0.266 2.183 19683
8 1 2 "Average Difference" HA 42 0.298 -0.123 0.274 19683
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19683
10 1 2 "Average Difference" CA 35 1.632 -0.153 1.649 19683
11 1 2 "Average Difference" CB 28 6.007 -2.877 5.370 19683
12 1 2 "Average Difference" HN 35 0.496 -0.179 0.469 19683
13 1 3 "Average Difference" N 35 2.104 0.009 2.135 19683
14 1 3 "Average Difference" HA 42 0.301 -0.128 0.276 19683
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19683
16 1 3 "Average Difference" CA 35 1.624 -0.116 1.644 19683
17 1 3 "Average Difference" CB 28 6.001 -2.928 5.334 19683
18 1 3 "Average Difference" HN 35 0.519 -0.171 0.497 19683
19 1 4 "Average Difference" N 35 2.174 0.426 2.164 19683
20 1 4 "Average Difference" HA 42 0.272 -0.095 0.258 19683
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19683
22 1 4 "Average Difference" CA 35 1.658 -0.087 1.680 19683
23 1 4 "Average Difference" CB 28 5.941 -2.817 5.327 19683
24 1 4 "Average Difference" HN 35 0.458 -0.163 0.435 19683
25 1 5 "Average Difference" N 35 2.495 0.071 2.530 19683
26 1 5 "Average Difference" HA 42 0.315 -0.083 0.308 19683
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19683
28 1 5 "Average Difference" CA 35 1.635 -0.100 1.656 19683
29 1 5 "Average Difference" CB 28 6.017 -2.925 5.355 19683
30 1 5 "Average Difference" HN 35 0.468 -0.160 0.446 19683
31 1 6 "Average Difference" N 35 2.159 -0.027 2.190 19683
32 1 6 "Average Difference" HA 42 0.308 -0.102 0.294 19683
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19683
34 1 6 "Average Difference" CA 35 1.666 0.077 1.689 19683
35 1 6 "Average Difference" CB 28 5.994 -2.889 5.348 19683
36 1 6 "Average Difference" HN 35 0.488 -0.188 0.457 19683
37 1 7 "Average Difference" N 35 2.195 0.058 2.226 19683
38 1 7 "Average Difference" HA 42 0.300 -0.128 0.275 19683
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19683
40 1 7 "Average Difference" CA 35 1.566 -0.125 1.584 19683
41 1 7 "Average Difference" CB 28 6.123 -3.018 5.425 19683
42 1 7 "Average Difference" HN 35 0.487 -0.163 0.466 19683
43 1 8 "Average Difference" N 35 2.002 -0.007 2.031 19683
44 1 8 "Average Difference" HA 42 0.293 -0.120 0.270 19683
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19683
46 1 8 "Average Difference" CA 35 1.535 -0.000 1.557 19683
47 1 8 "Average Difference" CB 28 5.938 -2.867 5.295 19683
48 1 8 "Average Difference" HN 35 0.497 -0.203 0.460 19683
49 1 9 "Average Difference" N 35 2.359 0.015 2.393 19683
50 1 9 "Average Difference" HA 42 0.302 -0.099 0.288 19683
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19683
52 1 9 "Average Difference" CA 35 1.670 -0.082 1.693 19683
53 1 9 "Average Difference" CB 28 5.993 -2.870 5.358 19683
54 1 9 "Average Difference" HN 35 0.457 -0.189 0.422 19683
55 1 10 "Average Difference" N 35 2.236 0.213 2.259 19683
56 1 10 "Average Difference" HA 42 0.317 -0.097 0.306 19683
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19683
58 1 10 "Average Difference" CA 35 1.602 -0.098 1.622 19683
59 1 10 "Average Difference" CB 28 6.050 -2.944 5.382 19683
60 1 10 "Average Difference" HN 35 0.468 -0.159 0.447 19683
61 1 11 "Average Difference" N 35 2.374 -0.036 2.408 19683
62 1 11 "Average Difference" HA 42 0.288 -0.103 0.272 19683
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19683
64 1 11 "Average Difference" CA 35 1.570 -0.014 1.593 19683
65 1 11 "Average Difference" CB 28 5.962 -3.027 5.231 19683
66 1 11 "Average Difference" HN 35 0.470 -0.141 0.454 19683
67 1 12 "Average Difference" N 35 2.366 -0.140 2.396 19683
68 1 12 "Average Difference" HA 42 0.299 -0.120 0.277 19683
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19683
70 1 12 "Average Difference" CA 35 1.740 0.050 1.765 19683
71 1 12 "Average Difference" CB 28 5.904 -2.872 5.253 19683
72 1 12 "Average Difference" HN 35 0.491 -0.206 0.452 19683
73 1 13 "Average Difference" N 35 2.321 -0.184 2.347 19683
74 1 13 "Average Difference" HA 42 0.339 -0.105 0.326 19683
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19683
76 1 13 "Average Difference" CA 35 1.645 -0.033 1.669 19683
77 1 13 "Average Difference" CB 28 5.934 -2.771 5.344 19683
78 1 13 "Average Difference" HN 35 0.470 -0.132 0.458 19683
79 1 14 "Average Difference" N 35 2.243 0.104 2.273 19683
80 1 14 "Average Difference" HA 42 0.296 -0.119 0.274 19683
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19683
82 1 14 "Average Difference" CA 35 1.623 -0.134 1.641 19683
83 1 14 "Average Difference" CB 28 6.010 -2.878 5.373 19683
84 1 14 "Average Difference" HN 35 0.489 -0.174 0.464 19683
85 1 15 "Average Difference" N 35 2.037 0.174 2.059 19683
86 1 15 "Average Difference" HA 42 0.304 -0.119 0.283 19683
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19683
88 1 15 "Average Difference" CA 35 1.656 0.033 1.680 19683
89 1 15 "Average Difference" CB 28 6.043 -2.908 5.394 19683
90 1 15 "Average Difference" HN 35 0.476 -0.177 0.449 19683
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 19683
_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 LEU N N 2 121.139 121.139 119.061 2.078 19683
2 1 . 1 1 2 2 LEU HA H 2 4.416 4.416 3.909 0.507 19683
3 1 . 1 1 2 2 LEU CA C 2 55.001 55.001 55.129 -0.128 19683
4 1 . 1 1 2 2 LEU CB C 2 43.955 43.955 40.748 3.207 19683
5 1 . 1 1 2 2 LEU H H 2 8.344 8.344 8.108 0.236 19683
6 1 . 1 1 3 3 GLY N N 3 108.320 108.320 106.133 2.187 19683
7 1 . 1 1 3 3 GLY CA C 3 44.497 44.497 43.991 0.506 19683
8 1 . 1 1 3 3 GLY H H 3 8.344 8.344 7.791 0.553 19683
9 1 . 1 1 4 4 LYS N N 4 119.456 119.456 120.646 -1.190 19683
10 1 . 1 1 4 4 LYS HA H 4 3.988 3.988 4.171 -0.183 19683
11 1 . 1 1 4 4 LYS CA C 4 54.781 54.781 57.559 -2.778 19683
12 1 . 1 1 4 4 LYS CB C 4 41.125 41.125 32.197 8.928 19683
13 1 . 1 1 4 4 LYS H H 4 8.494 8.494 8.363 0.131 19683
14 1 . 1 1 5 5 ALA N N 5 121.755 121.755 126.423 -4.668 19683
15 1 . 1 1 5 5 ALA HA H 5 4.264 4.264 3.977 0.287 19683
16 1 . 1 1 5 5 ALA CA C 5 55.360 55.360 54.056 1.304 19683
17 1 . 1 1 5 5 ALA CB C 5 18.172 18.172 17.198 0.974 19683
18 1 . 1 1 5 5 ALA H H 5 8.748 8.748 8.919 -0.171 19683
19 1 . 1 1 6 6 GLN N N 6 119.671 119.671 118.619 1.052 19683
20 1 . 1 1 6 6 GLN HA H 6 4.217 4.217 4.118 0.099 19683
21 1 . 1 1 6 6 GLN CA C 6 59.309 59.309 58.635 0.674 19683
22 1 . 1 1 6 6 GLN CB C 6 28.519 28.519 28.767 -0.248 19683
23 1 . 1 1 6 6 GLN H H 6 8.148 8.148 7.823 0.325 19683
24 1 . 1 1 7 7 CYS N N 7 119.391 119.391 118.792 0.599 19683
25 1 . 1 1 7 7 CYS HA H 7 4.636 4.636 4.246 0.390 19683
26 1 . 1 1 7 7 CYS CA C 7 60.891 60.891 62.849 -1.958 19683
27 1 . 1 1 7 7 CYS CB C 7 40.744 40.744 26.173 14.571 19683
28 1 . 1 1 7 7 CYS H H 7 8.623 8.623 8.121 0.502 19683
29 1 . 1 1 8 8 ALA N N 8 124.035 124.035 121.654 2.381 19683
30 1 . 1 1 8 8 ALA HA H 8 4.404 4.404 4.251 0.153 19683
31 1 . 1 1 8 8 ALA CA C 8 55.588 55.588 55.353 0.235 19683
32 1 . 1 1 8 8 ALA CB C 8 17.749 17.749 18.270 -0.521 19683
33 1 . 1 1 8 8 ALA H H 8 8.498 8.498 8.476 0.022 19683
34 1 . 1 1 9 9 ALA N N 9 120.921 120.921 121.185 -0.264 19683
35 1 . 1 1 9 9 ALA HA H 9 4.277 4.277 4.111 0.166 19683
36 1 . 1 1 9 9 ALA CA C 9 55.352 55.352 54.806 0.546 19683
37 1 . 1 1 9 9 ALA CB C 9 18.019 18.019 18.248 -0.229 19683
38 1 . 1 1 9 9 ALA H H 9 7.724 7.724 8.235 -0.511 19683
39 1 . 1 1 10 10 LEU N N 10 119.961 119.961 120.736 -0.775 19683
40 1 . 1 1 10 10 LEU HA H 10 4.244 4.244 4.159 0.085 19683
41 1 . 1 1 10 10 LEU CA C 10 57.752 57.752 58.007 -0.255 19683
42 1 . 1 1 10 10 LEU CB C 10 43.619 43.619 41.891 1.728 19683
43 1 . 1 1 10 10 LEU H H 10 8.184 8.184 7.795 0.389 19683
44 1 . 1 1 11 11 TRP N N 11 120.212 120.212 119.186 1.026 19683
45 1 . 1 1 11 11 TRP HA H 11 3.701 3.701 4.415 -0.714 19683
46 1 . 1 1 11 11 TRP CA C 11 60.555 60.555 59.481 1.074 19683
47 1 . 1 1 11 11 TRP CB C 11 28.132 28.132 29.306 -1.174 19683
48 1 . 1 1 11 11 TRP H H 11 8.788 8.788 7.814 0.974 19683
49 1 . 1 1 12 12 LEU N N 12 117.556 117.556 120.217 -2.661 19683
50 1 . 1 1 12 12 LEU HA H 12 3.803 3.803 3.098 0.705 19683
51 1 . 1 1 12 12 LEU CA C 12 58.041 58.041 57.242 0.799 19683
52 1 . 1 1 12 12 LEU CB C 12 41.819 41.819 41.574 0.244 19683
53 1 . 1 1 12 12 LEU H H 12 7.733 7.733 8.133 -0.400 19683
54 1 . 1 1 13 13 GLN N N 13 118.567 118.567 118.590 -0.023 19683
55 1 . 1 1 13 13 GLN HA H 13 3.947 3.947 3.919 0.028 19683
56 1 . 1 1 13 13 GLN CA C 13 58.688 58.688 58.872 -0.184 19683
57 1 . 1 1 13 13 GLN CB C 13 29.016 29.016 28.043 0.972 19683
58 1 . 1 1 13 13 GLN H H 13 7.738 7.738 8.699 -0.961 19683
59 1 . 1 1 14 14 CYS N N 14 118.351 118.351 116.829 1.522 19683
60 1 . 1 1 14 14 CYS HA H 14 4.335 4.335 4.253 0.082 19683
61 1 . 1 1 14 14 CYS CA C 14 57.758 57.758 60.159 -2.401 19683
62 1 . 1 1 14 14 CYS CB C 14 38.714 38.714 25.408 13.306 19683
63 1 . 1 1 14 14 CYS H H 14 8.213 8.213 7.565 0.648 19683
64 1 . 1 1 15 15 ALA N N 15 121.693 121.693 122.114 -0.421 19683
65 1 . 1 1 15 15 ALA HA H 15 3.766 3.766 3.939 -0.173 19683
66 1 . 1 1 15 15 ALA CA C 15 54.049 54.049 54.328 -0.279 19683
67 1 . 1 1 15 15 ALA CB C 15 17.783 17.783 18.585 -0.802 19683
68 1 . 1 1 15 15 ALA H H 15 8.173 8.173 7.575 0.598 19683
69 1 . 1 1 16 16 SER N N 16 111.866 111.866 112.714 -0.848 19683
70 1 . 1 1 16 16 SER HA H 16 4.337 4.337 4.465 -0.128 19683
71 1 . 1 1 16 16 SER CA C 16 59.453 59.453 58.715 0.738 19683
72 1 . 1 1 16 16 SER CB C 16 63.733 63.733 64.611 -0.878 19683
73 1 . 1 1 16 16 SER H H 16 7.607 7.607 7.818 -0.211 19683
74 1 . 1 1 17 17 GLY N N 17 109.738 109.738 109.524 0.214 19683
75 1 . 1 1 17 17 GLY CA C 17 45.606 45.606 44.940 0.666 19683
76 1 . 1 1 17 17 GLY H H 17 7.841 7.841 8.037 -0.196 19683
77 1 . 1 1 18 18 GLY N N 18 108.279 108.279 107.451 0.828 19683
78 1 . 1 1 18 18 GLY CA C 18 45.800 45.800 44.842 0.958 19683
79 1 . 1 1 18 18 GLY H H 18 8.158 8.158 7.717 0.441 19683
80 1 . 1 1 19 19 THR N N 19 113.347 113.347 112.502 0.845 19683
81 1 . 1 1 19 19 THR HA H 19 4.359 4.359 4.510 -0.151 19683
82 1 . 1 1 19 19 THR CA C 19 62.334 62.334 60.474 1.860 19683
83 1 . 1 1 19 19 THR CB C 19 69.872 69.872 70.818 -0.946 19683
84 1 . 1 1 19 19 THR H H 19 8.064 8.064 7.738 0.326 19683
85 1 . 1 1 20 20 ILE N N 20 122.333 122.333 120.722 1.611 19683
86 1 . 1 1 20 20 ILE HA H 20 4.145 4.145 4.047 0.098 19683
87 1 . 1 1 20 20 ILE CA C 20 61.909 61.909 62.713 -0.804 19683
88 1 . 1 1 20 20 ILE CB C 20 38.328 38.328 37.801 0.527 19683
89 1 . 1 1 20 20 ILE H H 20 8.061 8.061 8.533 -0.472 19683
90 1 . 1 1 21 21 GLY N N 21 112.495 112.495 107.534 4.961 19683
91 1 . 1 1 21 21 GLY CA C 21 45.302 45.302 44.843 0.459 19683
92 1 . 1 1 21 21 GLY H H 21 8.423 8.423 7.842 0.581 19683
93 1 . 1 1 22 22 CYS N N 22 120.376 120.376 118.620 1.756 19683
94 1 . 1 1 22 22 CYS HA H 22 4.673 4.673 4.162 0.511 19683
95 1 . 1 1 22 22 CYS CA C 22 61.077 61.077 59.187 1.890 19683
96 1 . 1 1 22 22 CYS CB C 22 33.832 33.832 25.895 7.937 19683
97 1 . 1 1 22 22 CYS H H 22 8.284 8.284 7.717 0.567 19683
98 1 . 1 1 23 23 GLY N N 23 112.782 112.782 114.515 -1.733 19683
99 1 . 1 1 23 23 GLY CA C 23 45.985 45.985 45.265 0.720 19683
100 1 . 1 1 23 23 GLY H H 23 8.656 8.656 8.405 0.251 19683
101 1 . 1 1 24 24 GLY N N 24 108.819 108.819 111.136 -2.317 19683
102 1 . 1 1 24 24 GLY CA C 24 45.478 45.478 45.075 0.403 19683
103 1 . 1 1 24 24 GLY H H 24 8.371 8.371 8.356 0.015 19683
104 1 . 1 1 25 25 GLY N N 25 109.405 109.405 108.744 0.661 19683
105 1 . 1 1 25 25 GLY CA C 25 46.140 46.140 45.882 0.258 19683
106 1 . 1 1 25 25 GLY H H 25 8.397 8.397 8.620 -0.223 19683
107 1 . 1 1 26 26 ALA N N 26 123.138 123.138 124.084 -0.946 19683
108 1 . 1 1 26 26 ALA HA H 26 4.161 4.161 4.133 0.028 19683
109 1 . 1 1 26 26 ALA CA C 26 54.815 54.815 54.505 0.310 19683
110 1 . 1 1 26 26 ALA CB C 26 18.820 18.820 18.656 0.164 19683
111 1 . 1 1 26 26 ALA H H 26 8.064 8.064 8.005 0.059 19683
112 1 . 1 1 27 27 VAL N N 27 119.932 119.932 118.223 1.709 19683
113 1 . 1 1 27 27 VAL HA H 27 3.775 3.775 3.843 -0.068 19683
114 1 . 1 1 27 27 VAL CA C 27 65.836 65.836 64.211 1.625 19683
115 1 . 1 1 27 27 VAL CB C 27 31.908 31.908 31.392 0.516 19683
116 1 . 1 1 27 27 VAL H H 27 8.102 8.102 7.653 0.449 19683
117 1 . 1 1 28 28 ALA N N 28 122.939 122.939 122.105 0.834 19683
118 1 . 1 1 28 28 ALA HA H 28 4.249 4.249 4.090 0.159 19683
119 1 . 1 1 28 28 ALA CA C 28 55.751 55.751 55.092 0.659 19683
120 1 . 1 1 28 28 ALA CB C 28 18.360 18.360 17.854 0.506 19683
121 1 . 1 1 28 28 ALA H H 28 8.032 8.032 7.979 0.053 19683
122 1 . 1 1 29 29 CYS N N 29 114.339 114.339 117.317 -2.978 19683
123 1 . 1 1 29 29 CYS HA H 29 4.452 4.452 4.259 0.193 19683
124 1 . 1 1 29 29 CYS CA C 29 56.997 56.997 63.193 -6.196 19683
125 1 . 1 1 29 29 CYS CB C 29 38.880 38.880 26.435 12.445 19683
126 1 . 1 1 29 29 CYS H H 29 8.278 8.278 7.873 0.405 19683
127 1 . 1 1 30 30 GLN N N 30 121.500 121.500 119.663 1.837 19683
128 1 . 1 1 30 30 GLN HA H 30 4.086 4.086 4.100 -0.014 19683
129 1 . 1 1 30 30 GLN CA C 30 59.203 59.203 58.496 0.707 19683
130 1 . 1 1 30 30 GLN CB C 30 28.233 28.233 27.682 0.551 19683
131 1 . 1 1 30 30 GLN H H 30 8.118 8.118 8.116 0.002 19683
132 1 . 1 1 31 31 ASN N N 31 119.134 119.134 119.139 -0.005 19683
133 1 . 1 1 31 31 ASN HA H 31 4.532 4.532 4.341 0.191 19683
134 1 . 1 1 31 31 ASN CA C 31 59.417 59.417 56.635 2.782 19683
135 1 . 1 1 31 31 ASN CB C 31 38.533 38.533 38.575 -0.042 19683
136 1 . 1 1 31 31 ASN H H 31 8.724 8.724 8.228 0.496 19683
137 1 . 1 1 32 32 TYR N N 32 122.198 122.198 121.716 0.482 19683
138 1 . 1 1 32 32 TYR HA H 32 3.895 3.895 4.300 -0.405 19683
139 1 . 1 1 32 32 TYR CA C 32 62.984 62.984 62.099 0.885 19683
140 1 . 1 1 32 32 TYR CB C 32 38.643 38.643 38.514 0.129 19683
141 1 . 1 1 32 32 TYR H H 32 8.869 8.869 7.820 1.049 19683
142 1 . 1 1 33 33 ARG N N 33 117.088 117.088 119.208 -2.120 19683
143 1 . 1 1 33 33 ARG HA H 33 3.904 3.904 4.176 -0.272 19683
144 1 . 1 1 33 33 ARG CA C 33 59.299 59.299 58.814 0.485 19683
145 1 . 1 1 33 33 ARG CB C 33 30.135 30.135 29.788 0.347 19683
146 1 . 1 1 33 33 ARG H H 33 8.068 8.068 7.991 0.077 19683
147 1 . 1 1 34 34 GLN N N 34 115.563 115.563 117.780 -2.217 19683
148 1 . 1 1 34 34 GLN HA H 34 3.947 3.947 3.935 0.012 19683
149 1 . 1 1 34 34 GLN CA C 34 58.242 58.242 58.253 -0.011 19683
150 1 . 1 1 34 34 GLN CB C 34 29.327 29.327 28.588 0.739 19683
151 1 . 1 1 34 34 GLN H H 34 7.705 7.705 7.574 0.131 19683
152 1 . 1 1 35 35 PHE N N 35 113.257 113.257 117.423 -4.166 19683
153 1 . 1 1 35 35 PHE HA H 35 4.986 4.986 4.438 0.548 19683
154 1 . 1 1 35 35 PHE CA C 35 58.275 58.275 59.858 -1.583 19683
155 1 . 1 1 35 35 PHE CB C 35 41.424 41.424 40.246 1.178 19683
156 1 . 1 1 35 35 PHE H H 35 7.993 7.993 7.901 0.092 19683
157 1 . 1 1 36 36 CYS N N 36 117.360 117.360 119.415 -2.055 19683
158 1 . 1 1 36 36 CYS HA H 36 4.857 4.857 4.514 0.343 19683
159 1 . 1 1 36 36 CYS CA C 36 55.826 55.826 57.644 -1.819 19683
160 1 . 1 1 36 36 CYS CB C 36 43.065 43.065 25.919 17.146 19683
161 1 . 1 1 36 36 CYS H H 36 8.095 8.095 8.295 -0.200 19683
stop_
save_